LAMMPS (11 Aug 2017) Lattice spacing in x,y,z = 5.44841 5.44841 5.44841 Created orthogonal box = (0 0 0) to (5.44841 5.44841 5.44841) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.301 | 4.301 | 4.301 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 5.44841 0 5.44841 0 5.44841 -1.6011626 -30955.56 -30955.56 -30955.56 -30955.56 -1.4348871e-12 1.3145972e-12 6.9596323e-13 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 557 ave 557 max 557 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 271 ave 271 max 271 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 271 Ave neighs/atom = 135.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -0.8005812750812 eV/atom Lattice spacing in x,y,z = 5.08335 5.08335 5.08335 Created orthogonal box = (0 0 0) to (5.08335 5.08335 5.08335) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.301 | 4.301 | 4.301 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 5.083346 0 5.083346 0 5.083346 -2.3964156 -55769.442 -55769.442 -55769.442 -55769.442 6.1558964e-13 -1.8619768e-12 -1.6662577e-12 Loop time of 1.19209e-06 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.192e-06 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 557 ave 557 max 557 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 335 ave 335 max 335 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 335 Ave neighs/atom = 167.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -1.19820781408555 eV/atom Lattice spacing in x,y,z = 4.85709 4.85709 4.85709 Created orthogonal box = (0 0 0) to (4.85709 4.85709 4.85709) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.301 | 4.301 | 4.301 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.857094 0 4.857094 0 4.857094 -3.0969867 -79900.856 -79900.856 -79900.856 -79900.856 -3.0895504e-12 6.7005951e-13 6.5247424e-12 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 557 ave 557 max 557 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 359 ave 359 max 359 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 359 Ave neighs/atom = 179.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -1.54849336788476 eV/atom Lattice spacing in x,y,z = 4.69271 4.69271 4.69271 Created orthogonal box = (0 0 0) to (4.69271 4.69271 4.69271) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.301 | 4.301 | 4.301 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.692709 0 4.692709 0 4.692709 -3.7385546 -104058.71 -104058.71 -104058.71 -104058.71 1.8994515e-12 9.480448e-13 -4.8410799e-12 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 557 ave 557 max 557 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 359 ave 359 max 359 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 359 Ave neighs/atom = 179.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -1.86927729314298 eV/atom Lattice spacing in x,y,z = 4.56352 4.56352 4.56352 Created orthogonal box = (0 0 0) to (4.56352 4.56352 4.56352) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.563523 0 4.563523 0 4.563523 -4.334987 -127017.83 -127017.83 -127017.83 -127017.83 2.939043e-12 2.5442462e-12 9.3581469e-13 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 515 ave 515 max 515 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 515 Ave neighs/atom = 257.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -2.16749348314976 eV/atom Lattice spacing in x,y,z = 4.45709 4.45709 4.45709 Created orthogonal box = (0 0 0) to (4.45709 4.45709 4.45709) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.457088 0 4.457088 0 4.457088 -4.8948643 -149597.35 -149597.35 -149597.35 -149597.35 1.1441541e-11 7.7022445e-12 3.1271976e-12 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 515 ave 515 max 515 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 515 Ave neighs/atom = 257.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -2.44743212606418 eV/atom Lattice spacing in x,y,z = 4.36658 4.36658 4.36658 Created orthogonal box = (0 0 0) to (4.36658 4.36658 4.36658) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.366579 0 4.366579 0 4.366579 -5.4215326 -170091.87 -170091.87 -170091.87 -170091.87 4.2061736e-12 -1.318602e-12 -3.7471666e-12 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 515 ave 515 max 515 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 515 Ave neighs/atom = 257.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -2.71076629075275 eV/atom Lattice spacing in x,y,z = 4.28784 4.28784 4.28784 Created orthogonal box = (0 0 0) to (4.28784 4.28784 4.28784) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.287843 0 4.287843 0 4.287843 -5.9166636 -188810.39 -188810.39 -188810.39 -188810.39 5.9581398e-12 1.1594575e-11 4.7462401e-12 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 563 ave 563 max 563 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 563 Ave neighs/atom = 281.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -2.95833177774057 eV/atom Lattice spacing in x,y,z = 4.21817 4.21817 4.21817 Created orthogonal box = (0 0 0) to (4.21817 4.21817 4.21817) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.218168 0 4.218168 0 4.218168 -6.3818154 -205442.97 -205442.97 -205442.97 -205442.97 -4.6844598e-12 4.0688144e-11 4.4956002e-11 Loop time of 1.19209e-06 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.192e-06 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 563 ave 563 max 563 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 563 Ave neighs/atom = 281.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -3.19090770370007 eV/atom Lattice spacing in x,y,z = 4.15568 4.15568 4.15568 Created orthogonal box = (0 0 0) to (4.15568 4.15568 4.15568) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.155681 0 4.155681 0 4.155681 -6.8179485 -220008.62 -220008.62 -220008.62 -220008.62 -2.0573726e-12 -1.1405105e-11 -2.1880763e-12 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 611 ave 611 max 611 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 611 Ave neighs/atom = 305.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -3.40897422713077 eV/atom Lattice spacing in x,y,z = 4.09904 4.09904 4.09904 Created orthogonal box = (0 0 0) to (4.09904 4.09904 4.09904) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.099037 0 4.099037 0 4.099037 -7.2261485 -231592.33 -231592.33 -231592.33 -231592.33 -8.3685747e-12 -2.5322631e-11 -2.6694694e-11 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 659 ave 659 max 659 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 659 Ave neighs/atom = 329.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -3.61307424992038 eV/atom Lattice spacing in x,y,z = 4.04724 4.04724 4.04724 Created orthogonal box = (0 0 0) to (4.04724 4.04724 4.04724) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 4.047237 0 4.047237 0 4.047237 -7.6060211 -240172.27 -240172.27 -240172.27 -240172.27 -8.4320031e-12 -5.0833083e-12 -1.1183278e-11 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 659 ave 659 max 659 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 659 Ave neighs/atom = 329.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -3.80301054587026 eV/atom Lattice spacing in x,y,z = 3.99952 3.99952 3.99952 Created orthogonal box = (0 0 0) to (3.99952 3.99952 3.99952) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.999516 0 3.999516 0 3.999516 -7.957584 -245440.85 -245440.85 -245440.85 -245440.85 -1.3956015e-12 8.4061913e-12 1.6356233e-11 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 659 ave 659 max 659 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 659 Ave neighs/atom = 329.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -3.97879199103139 eV/atom Lattice spacing in x,y,z = 3.95528 3.95528 3.95528 Created orthogonal box = (0 0 0) to (3.95528 3.95528 3.95528) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.337 | 4.337 | 4.337 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.955279 0 3.955279 0 3.955279 -8.2815877 -248641.7 -248641.7 -248641.7 -248641.7 7.590245e-12 2.890399e-11 2.9420533e-11 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 853 ave 853 max 853 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 675 ave 675 max 675 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 675 Ave neighs/atom = 337.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.14079384768251 eV/atom Lattice spacing in x,y,z = 3.91405 3.91405 3.91405 Created orthogonal box = (0 0 0) to (3.91405 3.91405 3.91405) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.914052 0 3.914052 0 3.914052 -8.5780611 -247488.82 -247488.82 -247488.82 -247488.82 7.9724038e-12 -5.7359591e-12 -7.109113e-12 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 675 ave 675 max 675 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 675 Ave neighs/atom = 337.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.28903056894617 eV/atom Lattice spacing in x,y,z = 3.87545 3.87545 3.87545 Created orthogonal box = (0 0 0) to (3.87545 3.87545 3.87545) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.87545 0 3.87545 0 3.87545 -8.8464203 -241201.85 -241201.85 -241201.85 -241201.85 -7.9906792e-13 4.013992e-12 -2.9545368e-12 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 675 ave 675 max 675 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 675 Ave neighs/atom = 337.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.42321016539856 eV/atom Lattice spacing in x,y,z = 3.83916 3.83916 3.83916 Created orthogonal box = (0 0 0) to (3.83916 3.83916 3.83916) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.839161 0 3.839161 0 3.839161 -9.0852647 -230353.89 -230353.89 -230353.89 -230353.89 2.3061956e-12 2.5058868e-11 3.1134024e-11 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 771 ave 771 max 771 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 771 Ave neighs/atom = 385.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.54263235962847 eV/atom Lattice spacing in x,y,z = 3.80492 3.80492 3.80492 Created orthogonal box = (0 0 0) to (3.80492 3.80492 3.80492) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.804921 0 3.804921 0 3.804921 -9.2941237 -214620.15 -214620.15 -214620.15 -214620.15 -3.3820576e-13 -7.4484103e-12 -7.4799446e-12 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 819 ave 819 max 819 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 819 Ave neighs/atom = 409.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.6470618684567 eV/atom Lattice spacing in x,y,z = 3.77251 3.77251 3.77251 Created orthogonal box = (0 0 0) to (3.77251 3.77251 3.77251) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.772512 0 3.772512 0 3.772512 -9.4724514 -193672.46 -193672.46 -193672.46 -193672.46 -1.4292405e-12 1.818298e-12 1.5413473e-11 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 819 ave 819 max 819 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 819 Ave neighs/atom = 409.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.7362257139898 eV/atom Lattice spacing in x,y,z = 3.74175 3.74175 3.74175 Created orthogonal box = (0 0 0) to (3.74175 3.74175 3.74175) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.741748 0 3.741748 0 3.741748 -9.619671 -167177.5 -167177.5 -167177.5 -167177.5 7.8146682e-12 -3.0572288e-12 -7.8387082e-12 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 819 ave 819 max 819 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 819 Ave neighs/atom = 409.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.80983550724786 eV/atom Lattice spacing in x,y,z = 3.71247 3.71247 3.71247 Created orthogonal box = (0 0 0) to (3.71247 3.71247 3.71247) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.71247 0 3.71247 0 3.71247 -9.7353209 -135717.4 -135717.4 -135717.4 -135717.4 -1.4165376e-12 -3.9313375e-12 -7.1429483e-12 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 819 ave 819 max 819 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 819 Ave neighs/atom = 409.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.86766042543644 eV/atom Lattice spacing in x,y,z = 3.68454 3.68454 3.68454 Created orthogonal box = (0 0 0) to (3.68454 3.68454 3.68454) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.684541 0 3.684541 0 3.684541 -9.8191422 -97172.277 -97172.277 -97172.277 -97172.277 1.0284476e-11 8.3345411e-13 -7.0982508e-12 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 819 ave 819 max 819 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 819 Ave neighs/atom = 409.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.90957108440482 eV/atom Lattice spacing in x,y,z = 3.65784 3.65784 3.65784 Created orthogonal box = (0 0 0) to (3.65784 3.65784 3.65784) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.657843 0 3.657843 0 3.657843 -9.8699405 -52052.344 -52052.344 -52052.344 -52052.344 8.747305e-12 -1.5617018e-11 -6.5307532e-13 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 915 ave 915 max 915 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 915 Ave neighs/atom = 457.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.93497023945739 eV/atom Lattice spacing in x,y,z = 3.63227 3.63227 3.63227 Created orthogonal box = (0 0 0) to (3.63227 3.63227 3.63227) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.63227 0 3.63227 0 3.63227 -9.8870304 1.024596 1.024596 1.024596 1.024596 1.2155829e-11 3.773436e-11 3.2086893e-11 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 915 ave 915 max 915 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 915 Ave neighs/atom = 457.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.94351520718358 eV/atom Lattice spacing in x,y,z = 3.61486 3.61486 3.61486 Created orthogonal box = (0 0 0) to (3.61486 3.61486 3.61486) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.614862 0 3.614862 0 3.614862 -9.8784281 41074.946 41074.946 41074.946 41074.946 -5.6945141e-12 4.4430817e-11 2.0152365e-11 Loop time of 1.19209e-06 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.192e-06 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 915 ave 915 max 915 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 915 Ave neighs/atom = 457.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.93921406542196 eV/atom Lattice spacing in x,y,z = 3.59654 3.59654 3.59654 Created orthogonal box = (0 0 0) to (3.59654 3.59654 3.59654) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.596539 0 3.596539 0 3.596539 -9.8494694 89846.576 89846.576 89846.576 89846.576 -9.8109042e-12 -3.4800239e-12 2.515176e-11 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 915 ave 915 max 915 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 915 Ave neighs/atom = 457.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.92473468174055 eV/atom Lattice spacing in x,y,z = 3.5772 3.5772 3.5772 Created orthogonal box = (0 0 0) to (3.5772 3.5772 3.5772) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.577203 0 3.577203 0 3.577203 -9.7945845 147113.45 147113.45 147113.45 147113.45 4.9268e-11 1.1365831e-10 1.0757903e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1059 ave 1059 max 1059 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1059 Ave neighs/atom = 529.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.89729225479496 eV/atom Lattice spacing in x,y,z = 3.55673 3.55673 3.55673 Created orthogonal box = (0 0 0) to (3.55673 3.55673 3.55673) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.556733 0 3.556733 0 3.556733 -9.7061343 217308.93 217308.93 217308.93 217308.93 5.4654098e-11 -4.0070277e-11 -9.0124343e-11 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1059 ave 1059 max 1059 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1059 Ave neighs/atom = 529.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.85306713196537 eV/atom Lattice spacing in x,y,z = 3.53499 3.53499 3.53499 Created orthogonal box = (0 0 0) to (3.53499 3.53499 3.53499) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.534989 0 3.534989 0 3.534989 -9.5738611 301578.47 301578.47 301578.47 301578.47 -6.9849053e-11 -1.727341e-10 -1.5596246e-10 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1059 ave 1059 max 1059 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1059 Ave neighs/atom = 529.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.78693053610087 eV/atom Lattice spacing in x,y,z = 3.5118 3.5118 3.5118 Created orthogonal box = (0 0 0) to (3.5118 3.5118 3.5118) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.511801 0 3.511801 0 3.511801 -9.3838124 406354.38 406354.38 406354.38 406354.38 -1.2866644e-11 -2.8986047e-10 -1.8649014e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1059 ave 1059 max 1059 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1059 Ave neighs/atom = 529.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.69190619092817 eV/atom Lattice spacing in x,y,z = 3.48696 3.48696 3.48696 Created orthogonal box = (0 0 0) to (3.48696 3.48696 3.48696) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.486964 0 3.486964 0 3.486964 -9.1163342 536614.47 536614.47 536614.47 536614.47 4.3279883e-11 -1.1090892e-11 7.7824715e-11 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1059 ave 1059 max 1059 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1059 Ave neighs/atom = 529.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.55816707818273 eV/atom Lattice spacing in x,y,z = 3.46022 3.46022 3.46022 Created orthogonal box = (0 0 0) to (3.46022 3.46022 3.46022) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.34 | 4.34 | 4.34 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.460224 0 3.460224 0 3.460224 -8.7440131 700830.41 700830.41 700830.41 700830.41 -3.0398069e-13 1.4113509e-10 2.5851776e-10 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1239 ave 1239 max 1239 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1059 ave 1059 max 1059 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1059 Ave neighs/atom = 529.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.37200654797137 eV/atom Lattice spacing in x,y,z = 3.43127 3.43127 3.43127 Created orthogonal box = (0 0 0) to (3.43127 3.43127 3.43127) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.431268 0 3.431268 0 3.431268 -8.2272761 911239.69 911239.69 911239.69 911239.69 8.8839897e-11 1.3214833e-10 2.9914721e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1071 ave 1071 max 1071 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1071 Ave neighs/atom = 535.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -4.11363803515238 eV/atom Lattice spacing in x,y,z = 3.39969 3.39969 3.39969 Created orthogonal box = (0 0 0) to (3.39969 3.39969 3.39969) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.399692 0 3.399692 0 3.399692 -7.5072201 1186141.7 1186141.7 1186141.7 1186141.7 -6.7328946e-12 4.2110874e-10 6.5703414e-10 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1071 ave 1071 max 1071 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1071 Ave neighs/atom = 535.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -3.75361005472952 eV/atom Lattice spacing in x,y,z = 3.36498 3.36498 3.36498 Created orthogonal box = (0 0 0) to (3.36498 3.36498 3.36498) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.364976 0 3.364976 0 3.364976 -6.4938012 1553348.9 1553348.9 1553348.9 1553348.9 2.2913804e-10 2.8681919e-10 -2.0281863e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1071 ave 1071 max 1071 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1071 Ave neighs/atom = 535.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -3.246900602193 eV/atom Lattice spacing in x,y,z = 3.32643 3.32643 3.32643 Created orthogonal box = (0 0 0) to (3.32643 3.32643 3.32643) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.326426 0 3.326426 0 3.326426 -5.042735 2059222.4 2059222.4 2059222.4 2059222.4 -1.2156709e-10 2.4473878e-10 3.967413e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1215 ave 1215 max 1215 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1215 Ave neighs/atom = 607.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -2.52136751818073 eV/atom Lattice spacing in x,y,z = 3.28309 3.28309 3.28309 Created orthogonal box = (0 0 0) to (3.28309 3.28309 3.28309) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.283089 0 3.283089 0 3.283089 -2.913326 2778034.1 2778034.1 2778034.1 2778034.1 7.166313e-11 6.4830122e-10 5.0687957e-10 Loop time of 1.19209e-06 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 1.192e-06 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1215 ave 1215 max 1215 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1215 Ave neighs/atom = 607.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -1.45666297522816 eV/atom Lattice spacing in x,y,z = 3.2336 3.2336 3.2336 Created orthogonal box = (0 0 0) to (3.2336 3.2336 3.2336) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.233603 0 3.233603 0 3.233603 0.3208482 3853569.5 3853569.5 3853569.5 3853569.5 6.1250502e-11 1.8078197e-10 6.9843656e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1287 ave 1287 max 1287 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1287 Ave neighs/atom = 643.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = 0.160424100573631 eV/atom Lattice spacing in x,y,z = 3.17593 3.17593 3.17593 Created orthogonal box = (0 0 0) to (3.17593 3.17593 3.17593) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.175933 0 3.175933 0 3.175933 5.4846495 5562490.3 5562490.3 5562490.3 5562490.3 -4.9654099e-10 -2.5331079e-10 -3.4399816e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1399 ave 1399 max 1399 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1399 Ave neighs/atom = 699.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = 2.74232475975518 eV/atom Lattice spacing in x,y,z = 3.10682 3.10682 3.10682 Created orthogonal box = (0 0 0) to (3.10682 3.10682 3.10682) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.393 | 4.393 | 4.393 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.106823 0 3.106823 0 3.106823 14.332786 8510642.5 8510642.5 8510642.5 8510642.5 1.0258579e-09 5.0438201e-10 -1.8817734e-10 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 1727 ave 1727 max 1727 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1447 ave 1447 max 1447 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1447 Ave neighs/atom = 723.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = 7.16639318647375 eV/atom Lattice spacing in x,y,z = 3.02058 3.02058 3.02058 Created orthogonal box = (0 0 0) to (3.02058 3.02058 3.02058) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.403 | 4.403 | 4.403 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 3.020583 0 3.020583 0 3.020583 31.205652 14282203 14282203 14282203 14282203 -2.0528737e-09 -7.9878103e-09 -8.8806576e-09 Loop time of 0 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 0 | | | 0.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 2329 ave 2329 max 2329 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1639 ave 1639 max 1639 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1639 Ave neighs/atom = 819.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = 15.6028258455132 eV/atom Lattice spacing in x,y,z = 2.90582 2.90582 2.90582 Created orthogonal box = (0 0 0) to (2.90582 2.90582 2.90582) 1 by 1 by 1 MPI processor grid Created 2 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 13.7599 ghost atom cutoff = 13.7599 binsize = 6.87995, bins = 1 1 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 4.403 | 4.403 | 4.403 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 2.90582 0 2.90582 0 2.90582 69.637418 28166422 28166422 28166422 28166422 -7.2530052e-10 -4.8554667e-10 5.6770511e-09 Loop time of 9.53674e-07 on 1 procs for 0 steps with 2 atoms 0.0% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 9.537e-07 | | |100.00 Nlocal: 2 ave 2 max 2 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 2329 ave 2329 max 2329 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1783 ave 1783 max 1783 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1783 Ave neighs/atom = 891.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = 34.8187091457078 eV/atom Total wall time: 0:00:00