3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.3718013 0.4169023 2.280265 1 2.528687 0.003477366 0.9287484 1 2.290849 2.118574 2.322949