4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.870914 1.181011 0.8927792 1 2.832979 2.546134 3.06224 1 2.321808 0.2790243 3.178637 1 4.863779 2.087833 1.955277