4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.799229 1.39947 2.90942 1 1.755424 3.290747 3.119725 1 4.105166 3.028799 1.978791 1 3.422089 4.791435 3.468124