LAMMPS (22 Aug 2018) units metal atom_style atomic atom_modify map array sort 0 0 boundary p p p box tilt large region cell prism 0 35.2 0 35.2 0 35.2 0.0 0.0 0.0 units box create_box 2 cell Created triclinic box = (0 0 0) to (35.2 35.2 35.2) with tilt (0 0 0) 2 by 2 by 4 MPI processor grid echo none Created 4001 atoms Time spent = 0.000684023 secs 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 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1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type 1 settings made for type pair_style eam/alloy pair_coeff * * NiAlH_jea.eam.alloy Al H Reading potential file NiAlH_jea.eam.alloy with DATE: 2007-11-30 mass 1 58.693399984901461152730917092413 mass 2 1.007999999740697871786210271239 variable pxx equal pxx variable pyy equal pyy variable pzz equal pzz variable pxy equal pxy variable pxz equal pxz variable pyz equal pyz thermo_style custom pe pxx variable fx atom fx variable fy atom fy variable fz atom fz variable pe equal pe neigh_modify delay 0 every 1 check yes echo none run 0 WARNING: No fixes defined, atoms won't move (src/verlet.cpp:55) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 7.65 ghost atom cutoff = 7.65 binsize = 3.825, bins = 10 10 10 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair eam/alloy, perpetual attributes: half, newton on pair build: half/bin/newton/tri stencil: half/bin/3d/newton/tri bin: standard Per MPI rank memory allocation (min/avg/max) = 3.302 | 3.303 | 3.305 Mbytes PotEng Pxx ERROR: Lost atoms: original 4001 current 2993 (src/thermo.cpp:441) Last command: run 0