4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.407318 2.912531 0.4915679 1 2.588763 3.80351 2.492541 1 3.156708 1.860824 1.786936 1 3.58937 3.640178 0.244631