4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.600247 1.761403 2.21582 1 1.350999 3.710266 1.758192 1 4.508932 5.134782 2.974852 1 3.702352 3.46043 0.9070332