4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.222395 3.946863 0.483997 1 3.237957 2.838209 1.28884 1 3.347581 5.522081 1.411855 1 5.127735 4.000634 2.64962