5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.4718 1.858527 2.216013 1 2.961187 3.9638 1.175243 1 2.62986 4.035161 3.548452 1 4.200659 2.412747 0.4103634 1 4.64949 3.303863 2.581344