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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.5947500 3.5947500 3.5947500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5947500 3.5947500 3.5947500)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.5947500 3.5947500 3.5947500)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXkudJVS/Ni.adp with DATE: 2011-06-20

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_477692857359_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 = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 2 2 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.582 | 7.582 | 7.582 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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      3.59475            0      3.59475            0      3.59475  -0.85212758   -61835.812   -61835.812   -61835.812   -61835.812   -61835.812            0            0            0 
Loop time of 3.934e-06 on 1 procs for 0 steps with 1 atoms

101.7% 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   |            | 3.934e-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

Total # of neighbors = 13
Ave neighs/atom = 13.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.852127582275998 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.3538880 3.3538880 3.3538880
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3538880 3.3538880 3.3538880)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.3538880 3.3538880 3.3538880)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXBda6aT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     3.353888            0     3.353888            0     3.353888   -1.3001071   -110563.59   -110563.59   -110563.59   -110563.59   -110563.59            0            0            0 
Loop time of 2.427e-06 on 1 procs for 0 steps with 1 atoms

123.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.427e-06  |            |       |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

Total # of neighbors = 16
Ave neighs/atom = 16.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.30010711332448 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.2046120 3.2046120 3.2046120
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2046120 3.2046120 3.2046120)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.2046120 3.2046120 3.2046120)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXukf3pT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     3.204612            0     3.204612            0     3.204612   -1.6998562   -156781.93   -156781.93   -156781.93   -156781.93   -156781.93            0            0            0 
Loop time of 2.522e-06 on 1 procs for 0 steps with 1 atoms

119.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.522e-06  |            |       |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

Total # of neighbors = 28
Ave neighs/atom = 28.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.69985618637078 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.0961550 3.0961550 3.0961550
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0961550 3.0961550 3.0961550)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0961550 3.0961550 3.0961550)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXHKIEsW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     3.096155            0     3.096155            0     3.096155   -2.0477446   -187422.21   -187422.21   -187422.21   -187422.21   -187422.21            0            0            0 
Loop time of 2.464e-06 on 1 procs for 0 steps with 1 atoms

162.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.464e-06  |            |       |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

Total # of neighbors = 28
Ave neighs/atom = 28.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.04774462628576 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 3.0109210 3.0109210 3.0109210
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0109210 3.0109210 3.0109210)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (3.0109210 3.0109210 3.0109210)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXMAB1pU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     3.010921            0     3.010921            0     3.010921   -2.3395817   -203331.73   -203331.73   -203331.73   -203331.73   -203331.73            0            0            0 
Loop time of 2.611e-06 on 1 procs for 0 steps with 1 atoms

114.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.611e-06  |            |       |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

Total # of neighbors = 28
Ave neighs/atom = 28.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.33958169614614 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.9406970 2.9406970 2.9406970
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9406970 2.9406970 2.9406970)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.9406970 2.9406970 2.9406970)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXJsYdqX/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.940697            0     2.940697            0     2.940697   -2.5799712   -208267.39   -208267.39   -208267.39   -208267.39   -208267.39            0            0 1.0519389e-12 
Loop time of 2.547e-06 on 1 procs for 0 steps with 1 atoms

157.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.547e-06  |            |       |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

Total # of neighbors = 28
Ave neighs/atom = 28.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.57997124001113 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8809810 2.8809810 2.8809810
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8809810 2.8809810 2.8809810)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8809810 2.8809810 2.8809810)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXrP4hcT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.880981            0     2.880981            0     2.880981   -2.7769826    -206832.3    -206832.3    -206832.3    -206832.3    -206832.3            0            0 8.1361224e-13 
Loop time of 2.458e-06 on 1 procs for 0 steps with 1 atoms

122.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.458e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.7769826422797 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.8290330 2.8290330 2.8290330
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8290330 2.8290330 2.8290330)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.8290330 2.8290330 2.8290330)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXScUZlX/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.829033            0     2.829033            0     2.829033   -2.9393058    -202087.7    -202087.7    -202087.7    -202087.7    -202087.7            0            0 -1.4730172e-12 
Loop time of 2.691e-06 on 1 procs for 0 steps with 1 atoms

148.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.691e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.93930584835229 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7830620 2.7830620 2.7830620
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7830620 2.7830620 2.7830620)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7830620 2.7830620 2.7830620)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX7yScST/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.783062            0     2.783062            0     2.783062   -3.0741724   -195475.12   -195475.12   -195475.12   -195475.12   -195475.12            0            0 -1.0314827e-12 
Loop time of 2.563e-06 on 1 procs for 0 steps with 1 atoms

156.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.563e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.07417242497256 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7418350 2.7418350 2.7418350
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7418350 2.7418350 2.7418350)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7418350 2.7418350 2.7418350)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXZQmC5W/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.741835            0     2.741835            0     2.741835   -3.1871457      -187760      -187760      -187760      -187760      -187760            0            0            0 
Loop time of 2.407e-06 on 1 procs for 0 steps with 1 atoms

166.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.407e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.18714572131082 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.7044630 2.7044630 2.7044630
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7044630 2.7044630 2.7044630)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.7044630 2.7044630 2.7044630)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXyRerIW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.704463            0     2.704463            0     2.704463   -3.2824746   -179399.96   -179399.96   -179399.96   -179399.96   -179399.96            0            0            0 
Loop time of 2.446e-06 on 1 procs for 0 steps with 1 atoms

163.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.446e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.28247462846602 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6702860 2.6702860 2.6702860
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6702860 2.6702860 2.6702860)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6702860 2.6702860 2.6702860)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXTE8XYT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.670286            0     2.670286            0     2.670286   -3.3634235   -170696.62   -170696.62   -170696.62   -170696.62   -170696.62            0            0            0 
Loop time of 9.375e-06 on 1 procs for 0 steps with 1 atoms

117.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 9.375e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.36342349610427 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6388010 2.6388010 2.6388010
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6388010 2.6388010 2.6388010)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6388010 2.6388010 2.6388010)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXzM90cU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.638801            0     2.638801            0     2.638801   -3.4325342   -161863.13   -161863.13   -161863.13   -161863.13   -161863.13            0            0 -2.420141e-12 
Loop time of 2.382e-06 on 1 procs for 0 steps with 1 atoms

125.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.382e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.43253422245364 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.6096140 2.6096140 2.6096140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6096140 2.6096140 2.6096140)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.6096140 2.6096140 2.6096140)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXJvfWIU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.609614            0     2.609614            0     2.609614   -3.4918062   -152901.07   -152901.07   -152901.07   -152901.07   -152901.07            0            0 -2.5022562e-12 
Loop time of 2.871e-06 on 1 procs for 0 steps with 1 atoms

696.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.871e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.49180615367183 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5824130 2.5824130 2.5824130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5824130 2.5824130 2.5824130)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5824130 2.5824130 2.5824130)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXvJ9YET/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.582413            0     2.582413            0     2.582413   -3.5426613   -143052.96   -143052.96   -143052.96   -143052.96   -143052.96            0            0            0 
Loop time of 2.417e-06 on 1 procs for 0 steps with 1 atoms

165.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.417e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.54266131427352 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5569450 2.5569450 2.5569450
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5569450 2.5569450 2.5569450)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5569450 2.5569450 2.5569450)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXRwvorV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.556945            0     2.556945            0     2.556945   -3.5859935   -131749.03   -131749.03   -131749.03   -131749.03   -131749.03            0            0            0 
Loop time of 2.719e-06 on 1 procs for 0 steps with 1 atoms

147.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.719e-06  |            |       |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

Total # of neighbors = 40
Ave neighs/atom = 40.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.58599354786046 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5330020 2.5330020 2.5330020
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5330020 2.5330020 2.5330020)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5330020 2.5330020 2.5330020)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXWRUq7W/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.533002            0     2.533002            0     2.533002    -3.622448   -118918.93   -118918.93   -118918.93   -118918.93   -118918.93            0            0            0 
Loop time of 2.01e-06 on 1 procs for 0 steps with 1 atoms

199.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.01e-06   |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.62244800492525 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.5104110 2.5104110 2.5104110
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5104110 2.5104110 2.5104110)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.5104110 2.5104110 2.5104110)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5ICFaV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.510411            0     2.510411            0     2.510411   -3.6525721   -104655.68   -104655.68   -104655.68   -104655.68   -104655.68            0            0            0 
Loop time of 2.334e-06 on 1 procs for 0 steps with 1 atoms

128.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.334e-06  |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.65257210094628 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4890280 2.4890280 2.4890280
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4890280 2.4890280 2.4890280)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4890280 2.4890280 2.4890280)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXmM8TsU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.489028            0     2.489028            0     2.489028     -3.67686   -89124.829   -89124.829   -89124.829   -89124.829   -89124.829            0            0 -5.7676812e-12 
Loop time of 3.669e-06 on 1 procs for 0 steps with 1 atoms

136.3% 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   |            | 3.669e-06  |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.67686000947097 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4687310 2.4687310 2.4687310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4687310 2.4687310 2.4687310)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4687310 2.4687310 2.4687310)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXZL9SaW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.468731            0     2.468731            0     2.468731   -3.6957769   -72534.458   -72534.458   -72534.458   -72534.458   -72534.458            0            0 -2.9555566e-12 
Loop time of 3.504e-06 on 1 procs for 0 steps with 1 atoms

114.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 3.504e-06  |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.69577687386323 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4494140 2.4494140 2.4494140
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4494140 2.4494140 2.4494140)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4494140 2.4494140 2.4494140)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXrh2rMW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.449414            0     2.449414            0     2.449414   -3.7097696   -55108.762   -55108.762   -55108.762   -55108.762   -55108.762            0            0 3.0260354e-12 
Loop time of 3.606e-06 on 1 procs for 0 steps with 1 atoms

138.7% 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   |            | 3.606e-06  |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.70976962596578 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4309870 2.4309870 2.4309870
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4309870 2.4309870 2.4309870)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4309870 2.4309870 2.4309870)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXpjYLZV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.430987            0     2.430987            0     2.430987   -3.7192667   -37073.231   -37073.231   -37073.231   -37073.231   -37073.231            0            0 -3.0953708e-12 
Loop time of 2.41e-06 on 1 procs for 0 steps with 1 atoms

166.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.41e-06   |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.71926674355731 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.4133720 2.4133720 2.4133720
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4133720 2.4133720 2.4133720)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.4133720 2.4133720 2.4133720)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXiAoQ3V/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.413372            0     2.413372            0     2.413372   -3.7246796   -18640.017   -18640.017   -18640.017   -18640.017   -18640.017            0            0            0 
Loop time of 2.39e-06 on 1 procs for 0 steps with 1 atoms

167.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.39e-06   |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.72467956257486 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3965000 2.3965000 2.3965000
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3965000 2.3965000 2.3965000)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3965000 2.3965000 2.3965000)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXFM99hW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.613 | 7.613 | 7.613 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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       2.3965            0       2.3965            0       2.3965   -3.7264002    1.0693798    1.0693798    1.0693798    1.0693798    1.0693798            0            0            0 
Loop time of 2.358e-06 on 1 procs for 0 steps with 1 atoms

169.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.358e-06  |            |       |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

Total # of neighbors = 46
Ave neighs/atom = 46.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.72640022636526 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3794430 2.3794430 2.3794430
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3794430 2.3794430 2.3794430)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3794430 2.3794430 2.3794430)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXuZjmUT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.379443            0     2.379443            0     2.379443   -3.7246219    19708.781    19708.781    19708.781    19708.781    19708.781            0            0 -3.3009176e-12 
Loop time of 3.468e-06 on 1 procs for 0 steps with 1 atoms

173.0% 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   |            | 3.468e-06  |            |       |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

Total # of neighbors = 61
Ave neighs/atom = 61.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.72462188775168 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3618660 2.3618660 2.3618660
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3618660 2.3618660 2.3618660)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3618660 2.3618660 2.3618660)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXA4XZPW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.361866            0     2.361866            0     2.361866   -3.7190423    40794.129    40794.129    40794.129    40794.129    40794.129            0            0            0 
Loop time of 2.234e-06 on 1 procs for 0 steps with 1 atoms

134.3% CPU use with 1 MPI tasks x 1 OpenMP threads

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

Total # of neighbors = 61
Ave neighs/atom = 61.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.7190423197124 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3437360 2.3437360 2.3437360
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3437360 2.3437360 2.3437360)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3437360 2.3437360 2.3437360)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXomgfIV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.343736            0     2.343736            0     2.343736   -3.7092833    63230.667    63230.667    63230.667    63230.667    63230.667            0            0            0 
Loop time of 2.062e-06 on 1 procs for 0 steps with 1 atoms

145.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.062e-06  |            |       |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

Total # of neighbors = 61
Ave neighs/atom = 61.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.70928326969545 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3250160 2.3250160 2.3250160
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3250160 2.3250160 2.3250160)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3250160 2.3250160 2.3250160)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXsRkDMV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.325016            0     2.325016            0     2.325016   -3.6949505    86996.096    86996.096    86996.096    86996.096    86996.096            0            0 3.5382031e-12 
Loop time of 1.827e-06 on 1 procs for 0 steps with 1 atoms

164.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.827e-06  |            |       |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

Total # of neighbors = 61
Ave neighs/atom = 61.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.69495050597111 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.3056680 2.3056680 2.3056680
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3056680 2.3056680 2.3056680)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.3056680 2.3056680 2.3056680)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXLHKDrU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.305668            0     2.305668            0     2.305668   -3.6756331    112082.06    112082.06    112082.06    112082.06    112082.06            0            0 1.8140125e-12 
Loop time of 2.145e-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   |            | 2.145e-06  |            |       |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

Total # of neighbors = 61
Ave neighs/atom = 61.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.67563310213881 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2856480 2.2856480 2.2856480
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2856480 2.2856480 2.2856480)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2856480 2.2856480 2.2856480)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXZRYOGW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.285648            0     2.285648            0     2.285648   -3.6509155    138176.97    138176.97    138176.97    138176.97    138176.97            0            0 3.7241962e-12 
Loop time of 1.91e-06 on 1 procs for 0 steps with 1 atoms

157.1% 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   |            | 1.91e-06   |            |       |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

Total # of neighbors = 61
Ave neighs/atom = 61.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.65091545527821 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2649070 2.2649070 2.2649070
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2649070 2.2649070 2.2649070)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2649070 2.2649070 2.2649070)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXov1nQW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.264907            0     2.264907            0     2.264907   -3.6204664    164696.11    164696.11    164696.11    164696.11    164696.11            0            0            0 
Loop time of 1.746e-06 on 1 procs for 0 steps with 1 atoms

171.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.746e-06  |            |       |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

Total # of neighbors = 73
Ave neighs/atom = 73.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.62046644264232 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2433920 2.2433920 2.2433920
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2433920 2.2433920 2.2433920)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2433920 2.2433920 2.2433920)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX1RfvmW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.243392            0     2.243392            0     2.243392   -3.5839991    191593.45    191593.45    191593.45    191593.45    191593.45            0            0 6.8926011e-12 
Loop time of 2.544e-06 on 1 procs for 0 steps with 1 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.544e-06  |            |       |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

Total # of neighbors = 73
Ave neighs/atom = 73.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.58399911852335 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.2210420 2.2210420 2.2210420
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2210420 2.2210420 2.2210420)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.2210420 2.2210420 2.2210420)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXGWe33V/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.221042            0     2.221042            0     2.221042   -3.5411839    219099.07    219099.07    219099.07    219099.07    219099.07            0            0 -7.1027795e-12 
Loop time of 1.931e-06 on 1 procs for 0 steps with 1 atoms

155.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.931e-06  |            |       |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

Total # of neighbors = 73
Ave neighs/atom = 73.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.54118389027885 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1977900 2.1977900 2.1977900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1977900 2.1977900 2.1977900)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1977900 2.1977900 2.1977900)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXT19tNT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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      2.19779            0      2.19779            0      2.19779   -3.4915879    247786.97    247786.97    247786.97    247786.97    247786.97            0            0 6.8069942e-12 
Loop time of 1.954e-06 on 1 procs for 0 steps with 1 atoms

204.7% 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   |            | 1.954e-06  |            |       |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

Total # of neighbors = 73
Ave neighs/atom = 73.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.49158792867596 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1735610 2.1735610 2.1735610
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1735610 2.1735610 2.1735610)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1735610 2.1735610 2.1735610)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX5PEIaU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.173561            0     2.173561            0     2.173561   -3.4345731    278750.31    278750.31    278750.31    278750.31    278750.31            0            0 -2.1652852e-12 
Loop time of 2.53e-06 on 1 procs for 0 steps with 1 atoms

158.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.53e-06   |            |       |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

Total # of neighbors = 73
Ave neighs/atom = 73.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.4345730584263 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1482670 2.1482670 2.1482670
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1482670 2.1482670 2.1482670)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1482670 2.1482670 2.1482670)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXu3hl4W/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.148267            0     2.148267            0     2.148267   -3.3691289     313850.3     313850.3     313850.3     313850.3     313850.3            0            0 -7.8493532e-12 
Loop time of 2.162e-06 on 1 procs for 0 steps with 1 atoms

138.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.162e-06  |            |       |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

Total # of neighbors = 85
Ave neighs/atom = 85.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.36912888090274 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.1218120 2.1218120 2.1218120
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1218120 2.1218120 2.1218120)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.1218120 2.1218120 2.1218120)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXkbS95S/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.121812            0     2.121812            0     2.121812   -3.2936481    356052.02    356052.02    356052.02    356052.02    356052.02            0            0 5.8190207e-12 
Loop time of 1.916e-06 on 1 procs for 0 steps with 1 atoms

156.6% 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   |            | 1.916e-06  |            |       |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

Total # of neighbors = 85
Ave neighs/atom = 85.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.29364813312106 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0940840 2.0940840 2.0940840
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0940840 2.0940840 2.0940840)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0940840 2.0940840 2.0940840)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXovMTJU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.094084            0     2.094084            0     2.094084    -3.205555    409763.07    409763.07    409763.07    409763.07    409763.07            0            0 -3.6035729e-12 
Loop time of 3.25e-06 on 1 procs for 0 steps with 1 atoms

153.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 3.25e-06   |            |       |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

Total # of neighbors = 85
Ave neighs/atom = 85.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.20555502437971 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0649540 2.0649540 2.0649540
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0649540 2.0649540 2.0649540)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0649540 2.0649540 2.0649540)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXPXlhuW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.064954            0     2.064954            0     2.064954   -3.1010434    479047.86    479047.86    479047.86    479047.86    479047.86            0            0 -4.0245716e-12 
Loop time of 2.021e-06 on 1 procs for 0 steps with 1 atoms

148.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.021e-06  |            |       |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

Total # of neighbors = 89
Ave neighs/atom = 89.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -3.10104343743172 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0342730 2.0342730 2.0342730
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0342730 2.0342730 2.0342730)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0342730 2.0342730 2.0342730)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX7WprXS/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.034273            0     2.034273            0     2.034273   -2.9749723     569945.4     569945.4     569945.4     569945.4     569945.4            0            0 3.9618147e-12 
Loop time of 1.834e-06 on 1 procs for 0 steps with 1 atoms

218.1% 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   |            | 1.834e-06  |            |       |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

Total # of neighbors = 89
Ave neighs/atom = 89.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.97497229185218 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 2.0018650 2.0018650 2.0018650
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0018650 2.0018650 2.0018650)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (2.0018650 2.0018650 2.0018650)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXMCtLkW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     2.001865            0     2.001865            0     2.001865   -2.8191459    698787.84    698787.84    698787.84    698787.84    698787.84            0            0 -5.543145e-12 
Loop time of 2.138e-06 on 1 procs for 0 steps with 1 atoms

187.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.138e-06  |            |       |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

Total # of neighbors = 89
Ave neighs/atom = 89.000000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.81914590390847 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9675260 1.9675260 1.9675260
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9675260 1.9675260 1.9675260)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9675260 1.9675260 1.9675260)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXI6OOrW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.967526            0     1.967526            0     1.967526   -2.6193442    891412.94    891412.94    891412.94    891412.94    891412.94            0            0 1.0217325e-11 
Loop time of 1.865e-06 on 1 procs for 0 steps with 1 atoms

160.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.865e-06  |            |       |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

Total # of neighbors = 101
Ave neighs/atom = 101.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.61934418044897 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.9310100 1.9310100 1.9310100
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9310100 1.9310100 1.9310100)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.9310100 1.9310100 1.9310100)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXuodRvW/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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      1.93101            0      1.93101            0      1.93101   -2.3522188    1184068.1    1184068.1    1184068.1    1184068.1    1184068.1            0            0 -6.1759963e-12 
Loop time of 1.728e-06 on 1 procs for 0 steps with 1 atoms

173.6% 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   |            | 1.728e-06  |            |       |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

Total # of neighbors = 101
Ave neighs/atom = 101.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -2.35221884094793 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8920230 1.8920230 1.8920230
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8920230 1.8920230 1.8920230)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8920230 1.8920230 1.8920230)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXcutKRT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.892023            0     1.892023            0     1.892023   -1.9809564    1628116.3    1628116.3    1628116.3    1628116.3    1628116.3            0            0 6.5657049e-12 
Loop time of 1.986e-06 on 1 procs for 0 steps with 1 atoms

201.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 1.986e-06  |            |       |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

Total # of neighbors = 125
Ave neighs/atom = 125.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.98095639182889 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8502050 1.8502050 1.8502050
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8502050 1.8502050 1.8502050)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8502050 1.8502050 1.8502050)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXZRuwpV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.850205            0     1.850205            0     1.850205   -1.4486206    2297884.6    2297884.6    2297884.6    2297884.6    2297884.6            0            0            0 
Loop time of 2.16e-06 on 1 procs for 0 steps with 1 atoms

138.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.16e-06   |            |       |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

Total # of neighbors = 125
Ave neighs/atom = 125.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -1.44862059890671 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.8051130 1.8051130 1.8051130
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8051130 1.8051130 1.8051130)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.8051130 1.8051130 1.8051130)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXAXCf7S/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.649 | 7.649 | 7.649 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.805113            0     1.805113            0     1.805113  -0.66723049    3306203.7    3306203.7    3306203.7    3306203.7    3306203.7            0            0 -3.0241784e-11 
Loop time of 3.0648e-05 on 1 procs for 0 steps with 1 atoms

19.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 3.065e-05  |            |       |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

Total # of neighbors = 125
Ave neighs/atom = 125.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: -0.667230492336117 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7561910 1.7561910 1.7561910
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7561910 1.7561910 1.7561910)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7561910 1.7561910 1.7561910)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXwEhsHT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.694 | 7.694 | 7.694 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.756191            0     1.756191            0     1.756191   0.49800737    4807149.6    4807149.6    4807149.6    4807149.6    4807149.6            0            0 8.6205436e-11 
Loop time of 2.402e-06 on 1 procs for 0 steps with 1 atoms

166.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.402e-06  |            |       |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

Total # of neighbors = 128
Ave neighs/atom = 128.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 0.498007369148363 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.7027270 1.7027270 1.7027270
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7027270 1.7027270 1.7027270)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.7027270 1.7027270 1.7027270)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXLUTNWV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.694 | 7.694 | 7.694 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.702727            0     1.702727            0     1.702727    2.2505069    7037588.7    7037588.7    7037588.7    7037588.7    7037588.7            0            0 -1.2269801e-10 
Loop time of 2.417e-06 on 1 procs for 0 steps with 1 atoms

165.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.417e-06  |            |       |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

Total # of neighbors = 152
Ave neighs/atom = 152.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 2.25050691097217 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.6437900 1.6437900 1.6437900
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6437900 1.6437900 1.6437900)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.6437900 1.6437900 1.6437900)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXflDG9S/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.694 | 7.694 | 7.694 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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      1.64379            0      1.64379            0      1.64379    4.9149407     10427316     10427316     10427316     10427316     10427316            0            0 -9.5114165e-11 
Loop time of 2.34e-06 on 1 procs for 0 steps with 1 atoms

128.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.34e-06   |            |       |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:        182.000 ave         182 max         182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 182
Ave neighs/atom = 182.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 4.91494070814026 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.5781310 1.5781310 1.5781310
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5781310 1.5781310 1.5781310)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5781310 1.5781310 1.5781310)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXHLB1RS/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.694 | 7.694 | 7.694 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.578131            0     1.578131            0     1.578131    9.0141657     15599319     15599319     15599319     15599319     15599319 -8.2693979e-17            0 -1.5840157e-10 
Loop time of 2.017e-06 on 1 procs for 0 steps with 1 atoms

148.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.017e-06  |            |       |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

Total # of neighbors = 194
Ave neighs/atom = 194.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 9.01416572677723 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.5040170 1.5040170 1.5040170
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5040170 1.5040170 1.5040170)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.5040170 1.5040170 1.5040170)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXXWkRSbV/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.694 | 7.694 | 7.694 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.504017            0     1.504017            0     1.504017    15.383222     23615178     23615178     23615178     23615178     23615178            0            0 4.0396959e-10 
Loop time of 2.287e-06 on 1 procs for 0 steps with 1 atoms

174.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.287e-06  |            |       |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

Total # of neighbors = 230
Ave neighs/atom = 230.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 15.3832216945956 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.4189440 1.4189440 1.4189440
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4189440 1.4189440 1.4189440)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.4189440 1.4189440 1.4189440)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX155irT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.764 | 7.764 | 7.764 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.418944            0     1.418944            0     1.418944    25.522882     37259766     37259766     37259766     37259766     37259766            0            0 -2.7239735e-11 
Loop time of 2.428e-06 on 1 procs for 0 steps with 1 atoms

164.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.428e-06  |            |       |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:        257.000 ave         257 max         257 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 257
Ave neighs/atom = 257.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 25.5228824982983 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.3190990 1.3190990 1.3190990
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3190990 1.3190990 1.3190990)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.3190990 1.3190990 1.3190990)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX7ZM0RU/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.764 | 7.764 | 7.764 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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     1.319099            0     1.319099            0     1.319099    39.186885     62418428     62418428     62418428     62418428     62418428            0            0 -1.5257346e-09 
Loop time of 2.334e-06 on 1 procs for 0 steps with 1 atoms

171.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.334e-06  |            |       |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:        345.000 ave         345 max         345 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 345
Ave neighs/atom = 345.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 39.1868845369057 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
# For Simulator             : LAMMPS 22 Sep 2017
# Running on                : LAMMPS 30 Jul 2021
#
Lattice spacing in x,y,z = 1.1982500 1.1982500 1.1982500
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.1982500 1.1982500 1.1982500)
  1 by 1 by 1 MPI processor grid
Created 1 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (1.1982500 1.1982500 1.1982500)
  create_atoms CPU = 0.000 seconds

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

Reading adp potential file /tmp/kim-shared-library-parameter-file-directory-XXXXXX25pVCT/Ni.adp with DATE: 2011-06-20
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 4000, page size: 100000
  master list distance cutoff = 7.168
  ghost atom cutoff = 7.168
  binsize = 3.584, bins = 1 1 1
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair adp, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
WARNING: Proc sub-domain size < neighbor skin, could lead to lost atoms (src/domain.cpp:964)
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 7.764 | 7.764 | 7.764 Mbytes
Step Atoms v_xlo_metal v_xhi_metal v_ylo_metal v_yhi_metal v_zlo_metal v_zhi_metal v_pe_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      1.19825            0      1.19825            0      1.19825    46.542808 1.1090841e+08 1.1090841e+08 1.1090841e+08 1.1090841e+08 1.1090841e+08            0            0 -2.1788622e-09 
Loop time of 2.358e-06 on 1 procs for 0 steps with 1 atoms

127.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0          | 0          | 0          |   0.0 |  0.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0          | 0          | 0          |   0.0 |  0.00
Output  | 0          | 0          | 0          |   0.0 |  0.00
Modify  | 0          | 0          | 0          |   0.0 |  0.00
Other   |            | 2.358e-06  |            |       |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:        447.000 ave         447 max         447 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 447
Ave neighs/atom = 447.00000
Neighbor list builds = 0
Dangerous builds = 0
Cohesive energy: 46.5428082611023 eV/atom
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
  using 1 OpenMP thread(s) per MPI task
Total wall time: 0:00:08