3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.3344379 0.01544669 0.2125967 1 2.534691 0.560296 0.8452667 1 2.778474 2.924302 2.490946