# bulk Ni in ADP units metal atom_style atomic lattice fcc 3.52 region box block 0 20 0 20 0 20 create_box 1 box create_atoms 1 box pair_style adp pair_coeff * * Ni.adp Ni velocity all create 1600.0 376847 loop geom neighbor 1.0 bin neigh_modify delay 5 every 1 fix 1 all nve timestep 0.005 run 100