LAMMPS (11 Aug 2017) Lattice spacing in x,y,z = 5.94372 5.94372 5.94372 Created orthogonal box = (0 0 0) to (5.94372 5.94372 5.94372) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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) = 4.299 | 4.299 | 4.299 Mbytes Step Atoms Xlo Xhi Ylo Yhi Zlo Zhi PotEng Press Pxx Pyy Pzz Pxy Pxz Pyz 0 2 0 5.94372 0 5.94372 0 5.94372 -0.99755521 -14855.077 -14855.077 -14855.077 -14855.077 -5.0463276e-13 5.5426877e-13 1.6876243e-13 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: 339 ave 339 max 339 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 = -0.498777606847425 eV/atom Lattice spacing in x,y,z = 5.54547 5.54547 5.54547 Created orthogonal box = (0 0 0) to (5.54547 5.54547 5.54547) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 5.545468 0 5.545468 0 5.545468 -1.4930136 -26762.875 -26762.875 -26762.875 -26762.875 -3.7688404e-13 4.1355384e-13 6.4987031e-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: 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 = -0.74650678843268 eV/atom Lattice spacing in x,y,z = 5.29865 5.29865 5.29865 Created orthogonal box = (0 0 0) to (5.29865 5.29865 5.29865) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 5.298648 0 5.298648 0 5.298648 -1.9294828 -38343.14 -38343.14 -38343.14 -38343.14 9.2363824e-13 5.266256e-12 5.0210423e-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: 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 = -0.964741380413985 eV/atom Lattice spacing in x,y,z = 5.11932 5.11932 5.11932 Created orthogonal box = (0 0 0) to (5.11932 5.11932 5.11932) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 5.119319 0 5.119319 0 5.119319 -2.3291917 -49936.102 -49936.102 -49936.102 -49936.102 -4.9523975e-13 5.7978656e-12 6.3753216e-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 = -1.1645958659906 eV/atom Lattice spacing in x,y,z = 4.97839 4.97839 4.97839 Created orthogonal box = (0 0 0) to (4.97839 4.97839 4.97839) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.978389 0 4.978389 0 4.978389 -2.7007804 -60953.796 -60953.796 -60953.796 -60953.796 -2.7790816e-12 -6.5549158e-12 -2.4778032e-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: 455 ave 455 max 455 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 455 Ave neighs/atom = 227.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = -1.35039021377378 eV/atom Lattice spacing in x,y,z = 4.86228 4.86228 4.86228 Created orthogonal box = (0 0 0) to (4.86228 4.86228 4.86228) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.862278 0 4.862278 0 4.862278 -3.0495949 -71789.351 -71789.351 -71789.351 -71789.351 -4.1556022e-13 -4.5152507e-12 -2.5114949e-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 = -1.52479742586111 eV/atom Lattice spacing in x,y,z = 4.76354 4.76354 4.76354 Created orthogonal box = (0 0 0) to (4.76354 4.76354 4.76354) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.76354 0 4.76354 0 4.76354 -3.3777228 -81624.434 -81624.434 -81624.434 -81624.434 1.0285162e-13 9.3434273e-12 1.2737531e-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: 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 = -1.68886140195188 eV/atom Lattice spacing in x,y,z = 4.67765 4.67765 4.67765 Created orthogonal box = (0 0 0) to (4.67765 4.67765 4.67765) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.677647 0 4.677647 0 4.677647 -3.6861964 -90607.069 -90607.069 -90607.069 -90607.069 2.1690479e-12 6.6598937e-12 3.6999409e-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: 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 = -1.84309819808156 eV/atom Lattice spacing in x,y,z = 4.60164 4.60164 4.60164 Created orthogonal box = (0 0 0) to (4.60164 4.60164 4.60164) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.601637 0 4.601637 0 4.601637 -3.9759988 -98588.87 -98588.87 -98588.87 -98588.87 5.7225368e-13 6.688772e-12 1.4596926e-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: 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 = -1.9879993970575 eV/atom Lattice spacing in x,y,z = 4.53347 4.53347 4.53347 Created orthogonal box = (0 0 0) to (4.53347 4.53347 4.53347) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.53347 0 4.53347 0 4.53347 -4.2477157 -105578.63 -105578.63 -105578.63 -105578.63 -4.6422416e-13 -1.111155e-11 -9.3590574e-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 = -2.12385786512138 eV/atom Lattice spacing in x,y,z = 4.47168 4.47168 4.47168 Created orthogonal box = (0 0 0) to (4.47168 4.47168 4.47168) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.471677 0 4.471677 0 4.471677 -4.5020306 -111137.42 -111137.42 -111137.42 -111137.42 -1.6668505e-12 1.4896748e-11 1.3132761e-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: 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 = -2.25101530497628 eV/atom Lattice spacing in x,y,z = 4.41517 4.41517 4.41517 Created orthogonal box = (0 0 0) to (4.41517 4.41517 4.41517) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.415167 0 4.415167 0 4.415167 -4.7387026 -115254.86 -115254.86 -115254.86 -115254.86 -1.6105793e-12 -3.875078e-12 -4.8357745e-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: 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 = -2.36935130387887 eV/atom Lattice spacing in x,y,z = 4.36311 4.36311 4.36311 Created orthogonal box = (0 0 0) to (4.36311 4.36311 4.36311) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.363108 0 4.363108 0 4.363108 -4.9577321 -117783.14 -117783.14 -117783.14 -117783.14 2.6163151e-12 -2.038258e-11 -1.9947573e-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: 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 = -2.47886606778848 eV/atom Lattice spacing in x,y,z = 4.31485 4.31485 4.31485 Created orthogonal box = (0 0 0) to (4.31485 4.31485 4.31485) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.31485 0 4.31485 0 4.31485 -5.1595899 -119319.17 -119319.17 -119319.17 -119319.17 -1.1938807e-12 -2.0429767e-11 -2.918291e-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 = -2.57979496065587 eV/atom Lattice spacing in x,y,z = 4.26987 4.26987 4.26987 Created orthogonal box = (0 0 0) to (4.26987 4.26987 4.26987) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.269875 0 4.269875 0 4.269875 -5.3442987 -118765.92 -118765.92 -118765.92 -118765.92 2.4712625e-13 8.5930762e-12 4.9849214e-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: 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 = -2.67214936560953 eV/atom Lattice spacing in x,y,z = 4.22776 4.22776 4.22776 Created orthogonal box = (0 0 0) to (4.22776 4.22776 4.22776) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.227764 0 4.227764 0 4.227764 -5.5114908 -115748.94 -115748.94 -115748.94 -115748.94 3.7498073e-13 -1.1231607e-11 -1.0702898e-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: 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 = -2.75574540488508 eV/atom Lattice spacing in x,y,z = 4.18818 4.18818 4.18818 Created orthogonal box = (0 0 0) to (4.18818 4.18818 4.18818) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.188175 0 4.188175 0 4.188175 -5.6602993 -110543.03 -110543.03 -110543.03 -110543.03 7.3714451e-13 -4.0433588e-12 -1.6599052e-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 = -2.83014966846925 eV/atom Lattice spacing in x,y,z = 4.15082 4.15082 4.15082 Created orthogonal box = (0 0 0) to (4.15082 4.15082 4.15082) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.150823 0 4.150823 0 4.150823 -5.79042 -102992.79 -102992.79 -102992.79 -102992.79 -1.0772379e-12 1.2047576e-12 2.4580941e-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: 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 = -2.89521002479851 eV/atom Lattice spacing in x,y,z = 4.11547 4.11547 4.11547 Created orthogonal box = (0 0 0) to (4.11547 4.11547 4.11547) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.115468 0 4.115468 0 4.115468 -5.901521 -92940.428 -92940.428 -92940.428 -92940.428 4.5698618e-12 1.1991916e-11 9.1110647e-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: 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 = -2.95076049042271 eV/atom Lattice spacing in x,y,z = 4.08191 4.08191 4.08191 Created orthogonal box = (0 0 0) to (4.08191 4.08191 4.08191) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.081907 0 4.081907 0 4.081907 -5.9932426 -80225.842 -80225.842 -80225.842 -80225.842 -2.5585309e-12 -1.9921678e-13 9.6798923e-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 = -2.99662127890604 eV/atom Lattice spacing in x,y,z = 4.04997 4.04997 4.04997 Created orthogonal box = (0 0 0) to (4.04997 4.04997 4.04997) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.049968 0 4.049968 0 4.049968 -6.0652931 -65129 -65129 -65129 -65129 -1.6101646e-12 2.5652805e-12 4.5866483e-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 = -3.03264656687382 eV/atom Lattice spacing in x,y,z = 4.0195 4.0195 4.0195 Created orthogonal box = (0 0 0) to (4.0195 4.0195 4.0195) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 4.0195 0 4.0195 0 4.0195 -6.1175159 -46631.907 -46631.907 -46631.907 -46631.907 4.4831012e-12 2.6366306e-11 2.3159123e-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: 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 = -3.05875795599494 eV/atom Lattice spacing in x,y,z = 3.99037 3.99037 3.99037 Created orthogonal box = (0 0 0) to (3.99037 3.99037 3.99037) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.990374 0 3.990374 0 3.990374 -6.1491654 -24978.937 -24978.937 -24978.937 -24978.937 -1.3464371e-12 1.0055219e-11 2.17453e-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 = -3.07458271583093 eV/atom Lattice spacing in x,y,z = 3.96248 3.96248 3.96248 Created orthogonal box = (0 0 0) to (3.96248 3.96248 3.96248) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.962477 0 3.962477 0 3.962477 -6.1598127 -0.13029056 -0.13029056 -0.13029056 -0.13029056 1.0224421e-11 8.2364939e-13 -6.0810454e-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: 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 = -3.07990633310191 eV/atom Lattice spacing in x,y,z = 3.94348 3.94348 3.94348 Created orthogonal box = (0 0 0) to (3.94348 3.94348 3.94348) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.943485 0 3.943485 0 3.943485 -6.1544528 19712.108 19712.108 19712.108 19712.108 4.3409075e-13 -5.3053963e-12 2.100631e-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 = -3.07722640136309 eV/atom Lattice spacing in x,y,z = 3.9235 3.9235 3.9235 Created orthogonal box = (0 0 0) to (3.9235 3.9235 3.9235) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.923497 0 3.923497 0 3.923497 -6.1364113 43116.044 43116.044 43116.044 43116.044 -8.8827668e-12 -3.8789664e-11 -6.328522e-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: 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 = -3.06820563544745 eV/atom Lattice spacing in x,y,z = 3.9024 3.9024 3.9024 Created orthogonal box = (0 0 0) to (3.9024 3.9024 3.9024) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.902403 0 3.902403 0 3.902403 -6.1022161 70597.769 70597.769 70597.769 70597.769 1.4927605e-11 -3.1148624e-11 -6.4271714e-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 = -3.05110806579241 eV/atom Lattice spacing in x,y,z = 3.88007 3.88007 3.88007 Created orthogonal box = (0 0 0) to (3.88007 3.88007 3.88007) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.880072 0 3.880072 0 3.880072 -6.0471093 104283.65 104283.65 104283.65 104283.65 4.9914028e-12 -9.7196307e-11 -6.4968528e-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: 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 = -3.02355467402282 eV/atom Lattice spacing in x,y,z = 3.85635 3.85635 3.85635 Created orthogonal box = (0 0 0) to (3.85635 3.85635 3.85635) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.856351 0 3.856351 0 3.856351 -5.9646987 144723.85 144723.85 144723.85 144723.85 1.2267215e-12 -1.0657635e-10 -1.290087e-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 = -2.98234933720664 eV/atom Lattice spacing in x,y,z = 3.83106 3.83106 3.83106 Created orthogonal box = (0 0 0) to (3.83106 3.83106 3.83106) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.831055 0 3.831055 0 3.831055 -5.8462937 195004.31 195004.31 195004.31 195004.31 2.2289576e-12 -8.2273713e-11 -9.1889279e-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 = -2.92314685588184 eV/atom Lattice spacing in x,y,z = 3.80396 3.80396 3.80396 Created orthogonal box = (0 0 0) to (3.80396 3.80396 3.80396) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.803959 0 3.803959 0 3.803959 -5.6796408 257516.98 257516.98 257516.98 257516.98 4.2980782e-11 -7.7601779e-11 -8.8443622e-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 = -2.83982040601592 eV/atom Lattice spacing in x,y,z = 3.77479 3.77479 3.77479 Created orthogonal box = (0 0 0) to (3.77479 3.77479 3.77479) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.774789 0 3.774789 0 3.774789 -5.4476821 336319.67 336319.67 336319.67 336319.67 -3.1890234e-11 -1.2786451e-10 -1.9428353e-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 = -2.72384104528029 eV/atom Lattice spacing in x,y,z = 3.7432 3.7432 3.7432 Created orthogonal box = (0 0 0) to (3.7432 3.7432 3.7432) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.7432 0 3.7432 0 3.7432 -5.1257353 437294.38 437294.38 437294.38 437294.38 -8.8364405e-12 -2.8597212e-10 -3.0249905e-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 = -2.56286764618793 eV/atom Lattice spacing in x,y,z = 3.70875 3.70875 3.70875 Created orthogonal box = (0 0 0) to (3.70875 3.70875 3.70875) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.708753 0 3.708753 0 3.708753 -4.6771148 569218.38 569218.38 569218.38 569218.38 7.1026428e-11 1.7343136e-10 1.6852794e-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 = -2.33855739822799 eV/atom Lattice spacing in x,y,z = 3.67088 3.67088 3.67088 Created orthogonal box = (0 0 0) to (3.67088 3.67088 3.67088) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.670881 0 3.670881 0 3.670881 -4.0457266 745437.06 745437.06 745437.06 745437.06 -3.2770604e-11 1.346397e-10 6.4241901e-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: 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 = -2.02286330595525 eV/atom Lattice spacing in x,y,z = 3.62883 3.62883 3.62883 Created orthogonal box = (0 0 0) to (3.62883 3.62883 3.62883) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.628827 0 3.628827 0 3.628827 -3.1416862 988196.6 988196.6 988196.6 988196.6 1.3509474e-10 -3.5407774e-10 -3.9219225e-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 = -1.57084309404438 eV/atom Lattice spacing in x,y,z = 3.58155 3.58155 3.58155 Created orthogonal box = (0 0 0) to (3.58155 3.58155 3.58155) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.581549 0 3.581549 0 3.581549 -1.8149701 1333155.8 1333155.8 1333155.8 1333155.8 7.8291504e-11 -4.0694265e-10 -3.5070011e-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 = -0.90748502898156 eV/atom Lattice spacing in x,y,z = 3.52756 3.52756 3.52756 Created orthogonal box = (0 0 0) to (3.52756 3.52756 3.52756) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.527564 0 3.527564 0 3.527564 0.20002609 1849298.2 1849298.2 1849298.2 1849298.2 9.9147477e-11 1.0854521e-09 9.9950011e-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 = 0.10001304504428 eV/atom Lattice spacing in x,y,z = 3.46465 3.46465 3.46465 Created orthogonal box = (0 0 0) to (3.46465 3.46465 3.46465) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.464651 0 3.464651 0 3.464651 3.4172426 2669398.6 2669398.6 2669398.6 2669398.6 -3.9324851e-10 -1.1303467e-09 -9.927425e-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: 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 = 1.70862132383146 eV/atom Lattice spacing in x,y,z = 3.38926 3.38926 3.38926 Created orthogonal box = (0 0 0) to (3.38926 3.38926 3.38926) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.389257 0 3.389257 0 3.389257 8.9300091 4084222.2 4084222.2 4084222.2 4084222.2 1.9481424e-10 4.5039332e-10 1.5880954e-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: 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 = 4.46500456420322 eV/atom Lattice spacing in x,y,z = 3.29518 3.29518 3.29518 Created orthogonal box = (0 0 0) to (3.29518 3.29518 3.29518) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.295176 0 3.295176 0 3.295176 19.44251 6854004 6854004 6854004 6854004 -2.4354554e-10 2.751713e-10 5.3885578e-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: 2329 ave 2329 max 2329 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1495 ave 1495 max 1495 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1495 Ave neighs/atom = 747.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = 9.72125493873565 eV/atom Lattice spacing in x,y,z = 3.16998 3.16998 3.16998 Created orthogonal box = (0 0 0) to (3.16998 3.16998 3.16998) 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 = 14.8289 ghost atom cutoff = 14.8289 binsize = 7.41445, 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 3.16998 0 3.16998 0 3.16998 43.386893 13517013 13517013 13517013 13517013 1.2935368e-09 -3.2159402e-09 -4.3570159e-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: 1735 ave 1735 max 1735 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1735 Ave neighs/atom = 867.5 Neighbor list builds = 0 Dangerous builds = 0 Cohesive energy = 21.6934463393873 eV/atom Total wall time: 0:00:00