5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.38521 1.90546 0.8111876 1 1.820048 1.934055 3.373724 1 3.762919 1.896883 2.504871 1 3.3319 2.668439 4.803022 1 3.103403 4.016922 2.717172