3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.8345515999999999 2.163541 2.098747 1 2.810533 1.239685 2.409196 1 2.282938 2.517363 0.1599591