4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.02763564 1.941887 2.611318 1 2.995226 1.063493 0.8992508 1 2.084562 0.5023637 2.575747 1 1.963571 2.965941 1.251911