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

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

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.9463500 3.9463500 3.9463500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.9463500 3.9463500 3.9463500)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.9463500 3.9463500 3.9463500)
  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/SM_631352869360_000#item-citation
The log file lists these citations in BibTeX format.

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 2 2 2
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.713 | 5.713 | 5.713 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      3.94635            0      3.94635            0      3.94635  -0.74477124   -136545.02   -136545.02   -136545.02   -136545.02   -136545.02            0            0            0 
Loop time of 1.182e-06 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.182e-06  |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        63.0000 ave          63 max          63 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        13.0000 ave          13 max          13 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      26.0000 ave          26 max          26 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 26
Ave neighs/atom = 26.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.744771240431251 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.6819300 3.6819300 3.6819300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6819300 3.6819300 3.6819300)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.6819300 3.6819300 3.6819300)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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      3.68193            0      3.68193            0      3.68193    -2.030561   -231231.45   -231231.45   -231231.45   -231231.45   -231231.45            0            0            0 
Loop time of 5.01e-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   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        16.0000 ave          16 max          16 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      32.0000 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.03056097848879 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.5180530 3.5180530 3.5180530
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5180530 3.5180530 3.5180530)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5180530 3.5180530 3.5180530)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.518053            0     3.518053            0     3.518053   -2.9617464   -177739.69   -177739.69   -177739.69   -177739.69   -177739.69            0            0            0 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        16.0000 ave          16 max          16 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      32.0000 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.96174637361451 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.3989880 3.3989880 3.3989880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3989880 3.3989880 3.3989880)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3989880 3.3989880 3.3989880)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.398988            0     3.398988            0     3.398988   -3.3113723   -175550.54   -175550.54   -175550.54   -175550.54   -175550.54            0            0            0 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        16.0000 ave          16 max          16 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      32.0000 ave          32 max          32 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 32
Ave neighs/atom = 32.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.31137231791728 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.3054170 3.3054170 3.3054170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3054170 3.3054170 3.3054170)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3054170 3.3054170 3.3054170)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.305417            0     3.305417            0     3.305417   -3.7123581   -164271.59   -164271.59   -164271.59   -164271.59   -164271.59            0            0            0 
Loop time of 4.81e-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   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        28.0000 ave          28 max          28 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.71235806051005 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.2283250 3.2283250 3.2283250
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2283250 3.2283250 3.2283250)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2283250 3.2283250 3.2283250)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.228325            0     3.228325            0     3.228325   -3.8869685   -87945.589   -87945.589   -87945.589   -87945.589   -87945.589            0            0            0 
Loop time of 4.71e-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   |            | 4.71e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        28.0000 ave          28 max          28 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.88696850482423 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.1627680 3.1627680 3.1627680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1627680 3.1627680 3.1627680)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1627680 3.1627680 3.1627680)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.162768            0     3.162768            0     3.162768   -4.0127423   -136395.16   -136395.16   -136395.16   -136395.16   -136395.16            0            0            0 
Loop time of 5.21e-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   |            | 5.21e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        28.0000 ave          28 max          28 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.01274226219027 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.1057380 3.1057380 3.1057380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1057380 3.1057380 3.1057380)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.1057380 3.1057380 3.1057380)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.105738            0     3.105738            0     3.105738   -4.2097895   -230070.49   -230070.49   -230070.49   -230070.49   -230070.49            0            0            0 
Loop time of 4.81e-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   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        28.0000 ave          28 max          28 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      56.0000 ave          56 max          56 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 56
Ave neighs/atom = 56.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.20978949077158 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.0552720 3.0552720 3.0552720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0552720 3.0552720 3.0552720)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0552720 3.0552720 3.0552720)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.055272            0     3.055272            0     3.055272   -4.4755759   -399457.31   -399457.31   -399457.31   -399457.31   -399457.31            0            0 -6.2369311e-12 
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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.47557589406481 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.0100120 3.0100120 3.0100120
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0100120 3.0100120 3.0100120)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0100120 3.0100120 3.0100120)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     3.010012            0     3.010012            0     3.010012   -4.8967077   -682594.56   -682594.56   -682594.56   -682594.56   -682594.56            0            0 -8.1531591e-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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.89670768092607 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.9689840 2.9689840 2.9689840
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9689840 2.9689840 2.9689840)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9689840 2.9689840 2.9689840)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.968984            0     2.968984            0     2.968984   -5.3969609   -722954.79   -722954.79   -722954.79   -722954.79   -722954.79            0            0 8.4958538e-12 
Loop time of 4.7e-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   |            | 4.7e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.39696085604684 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.9314650 2.9314650 2.9314650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9314650 2.9314650 2.9314650)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9314650 2.9314650 2.9314650)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.931465            0     2.931465            0     2.931465   -5.7783902   -476973.59   -476973.59   -476973.59   -476973.59   -476973.59            0            0 3.5305019e-12 
Loop time of 4.81e-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   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.77839020010334 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8969000 2.8969000 2.8969000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8969000 2.8969000 2.8969000)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8969000 2.8969000 2.8969000)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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       2.8969            0       2.8969            0       2.8969   -5.9580437   -219134.68   -219134.68   -219134.68   -219134.68   -219134.68            0            0            0 
Loop time of 4.81e-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   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.95804367030206 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8648590 2.8648590 2.8648590
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8648590 2.8648590 2.8648590)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8648590 2.8648590 2.8648590)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.864859            0     2.864859            0     2.864859   -6.0604189   -234120.59   -234120.59   -234120.59   -234120.59   -234120.59            0            0            0 
Loop time of 6.11e-07 on 1 procs for 0 steps with 1 atoms

163.7% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.06041894562857 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8349970 2.8349970 2.8349970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8349970 2.8349970 2.8349970)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8349970 2.8349970 2.8349970)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.834997            0     2.834997            0     2.834997   -6.2143805   -484651.71   -484651.71   -484651.71   -484651.71   -484651.71            0            0 7.8066153e-12 
Loop time of 5.01e-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   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.21438048555583 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8070380 2.8070380 2.8070380
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8070380 2.8070380 2.8070380)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8070380 2.8070380 2.8070380)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.807038            0     2.807038            0     2.807038   -6.4796845    -763400.6    -763400.6    -763400.6    -763400.6    -763400.6            0            0 -6.2829809e-12 
Loop time of 5.01e-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   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.47968449641349 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7807530 2.7807530 2.7807530
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7807530 2.7807530 2.7807530)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7807530 2.7807530 2.7807530)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.780753            0     2.780753            0     2.780753   -6.7986064   -871457.89   -871457.89   -871457.89   -871457.89   -871457.89            0            0            0 
Loop time of 4.71e-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   |            | 4.71e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.79860643991648 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7559530 2.7559530 2.7559530
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7559530 2.7559530 2.7559530)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7559530 2.7559530 2.7559530)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.755953            0     2.755953            0     2.755953   -7.1013345   -801502.99   -801502.99   -801502.99   -801502.99   -801502.99            0            0 3.3991095e-11 
Loop time of 4.91e-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   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.10133446810077 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7324780 2.7324780 2.7324780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7324780 2.7324780 2.7324780)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7324780 2.7324780 2.7324780)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.732478            0     2.732478            0     2.732478   -7.3420061    -645245.1    -645245.1    -645245.1    -645245.1    -645245.1            0            0 -8.7186765e-12 
Loop time of 4.71e-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   |            | 4.71e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.34200612214383 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7101960 2.7101960 2.7101960
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7101960 2.7101960 2.7101960)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7101960 2.7101960 2.7101960)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.710196            0     2.710196            0     2.710196   -7.5157865   -479967.27   -479967.27   -479967.27   -479967.27   -479967.27            0            0 8.9354923e-12 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.5157864905169 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6889900 2.6889900 2.6889900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6889900 2.6889900 2.6889900)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6889900 2.6889900 2.6889900)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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      2.68899            0      2.68899            0      2.68899   -7.6332344   -335387.25   -335387.25   -335387.25   -335387.25   -335387.25            0            0 1.3722849e-11 
Loop time of 6.31e-07 on 1 procs for 0 steps with 1 atoms

158.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 6.31e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.6332344170088 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6687600 2.6687600 2.6687600
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6687600 2.6687600 2.6687600)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6687600 2.6687600 2.6687600)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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      2.66876            0      2.66876            0      2.66876   -7.7079167   -216497.81   -216497.81   -216497.81   -216497.81   -216497.81            0            0 -9.3581937e-12 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        40.0000 ave          40 max          40 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      80.0000 ave          80 max          80 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 80
Ave neighs/atom = 80.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.70791670708009 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6494220 2.6494220 2.6494220
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6494220 2.6494220 2.6494220)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6494220 2.6494220 2.6494220)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.649422            0     2.649422            0     2.649422   -7.7498757    -110873.3    -110873.3    -110873.3    -110873.3    -110873.3            0            0            0 
Loop time of 5.21e-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   |            | 5.21e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.74987571267912 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6309000 2.6309000 2.6309000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6309000 2.6309000 2.6309000)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6309000 2.6309000 2.6309000)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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       2.6309            0       2.6309            0       2.6309   -7.7636473   -23.713278   -23.713278   -23.713278   -23.713278   -23.713278            0            0 -4.8840215e-12 
Loop time of 4.81e-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   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.76364726376648 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6121750 2.6121750 2.6121750
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6121750 2.6121750 2.6121750)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6121750 2.6121750 2.6121750)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.612175            0     2.612175            0     2.612175    -7.748566    127823.01    127823.01    127823.01    127823.01    127823.01            0            0 4.9898074e-12 
Loop time of 5.11e-07 on 1 procs for 0 steps with 1 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.74856595147519 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5928780 2.5928780 2.5928780
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5928780 2.5928780 2.5928780)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5928780 2.5928780 2.5928780)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.592878            0     2.592878            0     2.592878   -7.7002939    266933.87    266933.87    266933.87    266933.87    266933.87            0            0 -5.1020457e-12 
Loop time of 4.91e-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   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.70029388551006 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5729750 2.5729750 2.5729750
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5729750 2.5729750 2.5729750)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5729750 2.5729750 2.5729750)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.572975            0     2.572975            0     2.572975   -7.6168847    401459.38    401459.38    401459.38    401459.38    401459.38            0            0            0 
Loop time of 5.11e-07 on 1 procs for 0 steps with 1 atoms

195.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.11e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.61688465883158 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5524250 2.5524250 2.5524250
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5524250 2.5524250 2.5524250)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5524250 2.5524250 2.5524250)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.552425            0     2.552425            0     2.552425   -7.5005188    514092.55    514092.55    514092.55    514092.55    514092.55            0            0 -5.3484953e-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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.50051881190027 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5311840 2.5311840 2.5311840
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5311840 2.5311840 2.5311840)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5311840 2.5311840 2.5311840)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.531184            0     2.531184            0     2.531184   -7.3574768    595148.68    595148.68    595148.68    595148.68    595148.68            0            0            0 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.35747682638653 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5092060 2.5092060 2.5092060
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5092060 2.5092060 2.5092060)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5092060 2.5092060 2.5092060)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.744 | 5.744 | 5.744 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     2.509206            0     2.509206            0     2.509206     -7.19343    659087.36    659087.36    659087.36    659087.36    659087.36            0            0 -5.6296532e-12 
Loop time of 4.8e-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   |            | 4.8e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        215.000 ave         215 max         215 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        46.0000 ave          46 max          46 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      92.0000 ave          92 max          92 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92
Ave neighs/atom = 92.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.19343004873337 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4864370 2.4864370 2.4864370
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4864370 2.4864370 2.4864370)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4864370 2.4864370 2.4864370)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.486437            0     2.486437            0     2.486437   -7.0079905    739043.61    739043.61    739043.61    739043.61    739043.61            0            0 2.8928653e-12 
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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        61.0000 ave          61 max          61 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -7.00799053074871 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4628170 2.4628170 2.4628170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4628170 2.4628170 2.4628170)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4628170 2.4628170 2.4628170)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.462817            0     2.462817            0     2.462817   -6.7941605       842513       842513       842513       842513       842513            0            0 -2.9768995e-12 
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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        61.0000 ave          61 max          61 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.79416048742874 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4382810 2.4382810 2.4382810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4382810 2.4382810 2.4382810)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4382810 2.4382810 2.4382810)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.438281            0     2.438281            0     2.438281   -6.5424557    1041736.2    1041736.2    1041736.2    1041736.2    1041736.2 3.0675893e-12 -3.0676749e-12            0 
Loop time of 5.01e-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   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        61.0000 ave          61 max          61 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.5424557455032 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4127550 2.4127550 2.4127550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4127550 2.4127550 2.4127550)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4127550 2.4127550 2.4127550)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.412755            0     2.412755            0     2.412755   -6.2091085    1311056.9    1311056.9    1311056.9    1311056.9    1311056.9 -1.2665224e-11 6.332146e-12 -6.332146e-12 
Loop time of 5.11e-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   |            | 5.11e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        61.0000 ave          61 max          61 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -6.20910845520707 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3861550 2.3861550 2.3861550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3861550 2.3861550 2.3861550)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3861550 2.3861550 2.3861550)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.386155            0     2.386155            0     2.386155   -5.8089728    1454496.4    1454496.4    1454496.4    1454496.4    1454496.4 -6.5577217e-12 -6.5462809e-12 -1.3092562e-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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        61.0000 ave          61 max          61 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      122.000 ave         122 max         122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 122
Ave neighs/atom = 122.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.8089728199084 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3583880 2.3583880 2.3583880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3583880 2.3583880 2.3583880)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3583880 2.3583880 2.3583880)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.358388            0     2.358388            0     2.358388   -5.3782492      1468794      1468794      1468794      1468794      1468794 -3.1231304e-14            0 3.3901181e-12 
Loop time of 4.81e-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   |            | 4.81e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        73.0000 ave          73 max          73 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      146.000 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -5.37824917900252 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3293450 2.3293450 2.3293450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3293450 2.3293450 2.3293450)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3293450 2.3293450 2.3293450)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.329345            0     2.329345            0     2.329345   -4.9492915    1413851.1    1413851.1    1413851.1    1413851.1    1413851.1 -2.4011222e-14 -3.5185129e-12 -1.2314795e-11 
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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        73.0000 ave          73 max          73 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      146.000 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.94929150643939 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2989050 2.2989050 2.2989050
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2989050 2.2989050 2.2989050)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2989050 2.2989050 2.2989050)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.298905            0     2.298905            0     2.298905   -4.5152975    1443149.1    1443149.1    1443149.1    1443149.1    1443149.1 -2.1997808e-11            0 7.320277e-12 
Loop time of 4.91e-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   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        73.0000 ave          73 max          73 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      146.000 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.51529745584682 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2669260 2.2669260 2.2669260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2669260 2.2669260 2.2669260)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2669260 2.2669260 2.2669260)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.266926            0     2.266926            0     2.266926   -4.0487104    1580184.7    1580184.7    1580184.7    1580184.7    1580184.7 4.7534451e-15 -3.0537857e-11 3.0537857e-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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        73.0000 ave          73 max          73 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      146.000 ave         146 max         146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 146
Ave neighs/atom = 146.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -4.04871036832537 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2332440 2.2332440 2.2332440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2332440 2.2332440 2.2332440)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2332440 2.2332440 2.2332440)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.233244            0     2.233244            0     2.233244   -3.4734432    2093429.2    2093429.2    2093429.2    2093429.2    2093429.2 -3.1940525e-11 1.5970263e-11 1.6968404e-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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        85.0000 ave          85 max          85 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      170.000 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.47344320432263 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1976660 2.1976660 2.1976660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1976660 2.1976660 2.1976660)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1976660 2.1976660 2.1976660)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.197666            0     2.197666            0     2.197666   -2.6537608    2960137.4    2960137.4    2960137.4    2960137.4    2960137.4 -1.6758514e-11 -1.6758514e-11 3.7706658e-11 
Loop time of 5.01e-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   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        85.0000 ave          85 max          85 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      170.000 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 170
Ave neighs/atom = 170.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.65376084720447 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1599690 2.1599690 2.1599690
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1599690 2.1599690 2.1599690)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1599690 2.1599690 2.1599690)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.159969            0     2.159969            0     2.159969   -1.5022788    3883171.6    3883171.6    3883171.6    3883171.6    3883171.6 8.8256772e-12 8.8256772e-12 8.8256772e-12 
Loop time of 5.51e-07 on 1 procs for 0 steps with 1 atoms

181.5% 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   |            | 5.51e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        89.0000 ave          89 max          89 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      178.000 ave         178 max         178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.50227883991371 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1198810 2.1198810 2.1198810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1198810 2.1198810 2.1198810)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1198810 2.1198810 2.1198810)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.119881            0     2.119881            0     2.119881 -0.095277629    4043948.1    4043948.1    4043948.1    4043948.1    4043948.1            0            0            0 
Loop time of 4.91e-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   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        89.0000 ave          89 max          89 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      178.000 ave         178 max         178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 178
Ave neighs/atom = 178.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.0952776290057735 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0770800 2.0770800 2.0770800
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0770800 2.0770800 2.0770800)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0770800 2.0770800 2.0770800)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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      2.07708            0      2.07708            0      2.07708    1.2054906    3467709.2    3467709.2    3467709.2    3467709.2    3467709.2            0 -2.9775028e-11 -2.9775028e-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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        101.000 ave         101 max         101 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      202.000 ave         202 max         202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 202
Ave neighs/atom = 202.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 1.20549063656541 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0311720 2.0311720 2.0311720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0311720 2.0311720 2.0311720)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0311720 2.0311720 2.0311720)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     2.031172            0     2.031172            0     2.031172    2.4281469    3430247.5    3430247.5    3430247.5    3430247.5    3430247.5 2.1226602e-11 2.1226602e-11 -4.2453205e-11 
Loop time of 5.01e-07 on 1 procs for 0 steps with 1 atoms

199.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        101.000 ave         101 max         101 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      202.000 ave         202 max         202 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 202
Ave neighs/atom = 202.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.42814691126602 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9816700 1.9816700 1.9816700
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9816700 1.9816700 1.9816700)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9816700 1.9816700 1.9816700)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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      1.98167            0      1.98167            0      1.98167    3.8558328      4355109      4355109      4355109      4355109      4355109            0 2.2857387e-11            0 
Loop time of 4.91e-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   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        125.000 ave         125 max         125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 3.85583283292662 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9279630 1.9279630 1.9279630
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9279630 1.9279630 1.9279630)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9279630 1.9279630 1.9279630)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.781 | 5.781 | 5.781 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     1.927963            0     1.927963            0     1.927963    5.7737251    5508452.9    5508452.9    5508452.9    5508452.9    5508452.9 -4.8091266e-11 -5.274526e-11 -8.0669221e-11 
Loop time of 4.71e-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   |            | 4.71e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        511.000 ave         511 max         511 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        125.000 ave         125 max         125 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      250.000 ave         250 max         250 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 250
Ave neighs/atom = 250.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 5.77372507876991 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8692700 1.8692700 1.8692700
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8692700 1.8692700 1.8692700)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8692700 1.8692700 1.8692700)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.825 | 5.825 | 5.825 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      1.86927            0      1.86927            0      1.86927     8.082296    6090759.6    6090759.6    6090759.6    6090759.6    6090759.6            0            0 5.4467128e-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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        128.000 ave         128 max         128 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      256.000 ave         256 max         256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 256
Ave neighs/atom = 256.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 8.08229599003528 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8045680 1.8045680 1.8045680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8045680 1.8045680 1.8045680)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8045680 1.8045680 1.8045680)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.825 | 5.825 | 5.825 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     1.804568            0     1.804568            0     1.804568    10.779208    7608112.6    7608112.6    7608112.6    7608112.6    7608112.6 -9.0807577e-11 1.5134596e-10 1.2107677e-10 
Loop time of 4.91e-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   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        152.000 ave         152 max         152 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      304.000 ave         304 max         304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 304
Ave neighs/atom = 304.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 10.7792076169207 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7324870 1.7324870 1.7324870
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7324870 1.7324870 1.7324870)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7324870 1.7324870 1.7324870)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.825 | 5.825 | 5.825 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     1.732487            0     1.732487            0     1.732487    14.943165     11927853     11927853     11927853     11927853     11927853 6.8413314e-11 -1.7103329e-11 -2.5654993e-11 
Loop time of 4.9e-07 on 1 procs for 0 steps with 1 atoms

204.1% 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   |            | 4.9e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        170.000 ave         170 max         170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      340.000 ave         340 max         340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 340
Ave neighs/atom = 340.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 14.9431646763946 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.6511240 1.6511240 1.6511240
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6511240 1.6511240 1.6511240)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6511240 1.6511240 1.6511240)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.825 | 5.825 | 5.825 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     1.651124            0     1.651124            0     1.651124    20.686242     14790774     14790774     14790774     14790774     14790774 -1.9758389e-11 5.9275166e-11 3.7046978e-11 
Loop time of 4.91e-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   |            | 4.91e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        194.000 ave         194 max         194 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      388.000 ave         388 max         388 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 388
Ave neighs/atom = 388.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 20.6862418478099 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.5577300 1.5577300 1.5577300
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5577300 1.5577300 1.5577300)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5577300 1.5577300 1.5577300)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.825 | 5.825 | 5.825 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      1.55773            0      1.55773            0      1.55773    30.069781     30057147     30057147     30057147     30057147     30057147 1.0353012e-09 -5.8823932e-10 -7.1765197e-10 
Loop time of 4.9e-07 on 1 procs for 0 steps with 1 atoms

204.1% 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   |            | 4.9e-07    |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        999.000 ave         999 max         999 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        230.000 ave         230 max         230 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      460.000 ave         460 max         460 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460
Ave neighs/atom = 460.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 30.0697806146309 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.4481190 1.4481190 1.4481190
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4481190 1.4481190 1.4481190)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4481190 1.4481190 1.4481190)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.878 | 5.878 | 5.878 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     1.448119            0     1.448119            0     1.448119    45.492407     32793453     32793453     32793453     32793453     32793453 8.4932877e-10 -2.3429759e-10 1.3398893e-09 
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:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        293.000 ave         293 max         293 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      586.000 ave         586 max         586 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 586
Ave neighs/atom = 586.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 45.4924068232858 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.

# Using KIM Simulator Model : Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.3154500 1.3154500 1.3154500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3154500 1.3154500 1.3154500)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3154500 1.3154500 1.3154500)
  create_atoms CPU = 0.000 seconds

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.5
  ghost atom cutoff = 7.5
  binsize = 3.75, bins = 1 1 1
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair meam/spline, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair meam/spline, perpetual, half/full from (1)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 5.878 | 5.878 | 5.878 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      1.31545            0      1.31545            0      1.31545    63.833644     69072874     69072874     69072874     69072874     69072874 -1.5238147e-09 2.3443303e-10 -6.1050269e-09 
Loop time of 5.01e-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   |            | 5.01e-07   |            |       |100.00

Nlocal:        1.00000 ave           1 max           1 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        1727.00 ave        1727 max        1727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        375.000 ave         375 max         375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:      750.000 ave         750 max         750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 750
Ave neighs/atom = 750.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 63.8336436096238 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: 0:00:00