units metal boundary p p p atom_style atomic lattice fcc 3.52 region box block 0 10 0 10 0 10 create_box 1 box region sample sphere 5 5 5 3 create_atoms 1 region sample group sample region sample pair_style eam pair_coeff * * Ni_u3.eam neighbor 2.0 bin neigh_modify delay 5 fix 1 sample rigid single timestep 0.001 run 100