# bulk Cu lattice variable x index 1 variable y index 1 variable z index 1 variable xx equal 20*$x variable yy equal 20*$y variable zz equal 20*$z units metal atom_style atomic lattice fcc 3.615 region box block 0 ${xx} 0 ${yy} 0 ${zz} create_box 1 box create_atoms 1 box pair_style eam pair_coeff 1 1 Cu_u3.eam velocity all create 1600.0 376847 loop geom neighbor 1.0 bin neigh_modify every 1 delay 5 check yes fix 1 all nve timestep 0.005 thermo 50 run 100