atom_style atomic units lj atom_style atomic atom_modify sort 0 0.2 lattice fcc 0.8442 region box block 0 10 0 10 0 10 create_box 1 box mass 1 1.0 fix 1 all nve minimize 0.001 0.0001 1000.0 10000.0 run 10 run_style respa 1 run 10