units metal boundary p p p atom_style atomic variable latparam equal 3.1800 lattice bcc ${latparam} region whole block 0 30 0 10 0 30 create_box 1 whole create_atoms 1 region whole change_box all triclinic pair_style eam/alloy pair_coeff * * ./lammps-22Aug18/potentials/W_zhou.eam.alloy W timestep 0.001 thermo_style custom step etotal pe ke temp pxx pyy pzz pxy pxz pyz thermo 100 run 1000