5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.10043 2.130682 2.453785 1 1.948071 1.785129 4.606922 1 2.343053 4.336787 1.957735 1 4.413531 1.079857 2.965455 1 3.524463 3.435576 3.796327