4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.000595 3.042383 1.797674 1 1.826337 5.433854 1.209578 1 3.662908 4.706413 0.02767682 1 4.382961 3.15094 1.702274