LAMMPS Description 8 atoms 2 atom types 0 1 xlo xhi 0 1 ylo yhi 0 1 zlo zhi Masses 1 22.98976928 2 35.45 Atoms 1 2 1 0.25 0.25 0.25 2 1 -1 0.75 0.25 0.25 3 1 -1 0.25 0.75 0.25 4 2 1 0.75 0.75 0.25 5 1 -1 0.25 0.25 0.75 6 2 1 0.75 0.25 0.75 7 2 1 0.25 0.75 0.75 8 1 -1 0.75 0.75 0.75