4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.344878 2.219137 2.797465 1 2.001288 4.461966 3.139291 1 3.23388 2.535754 1.187329 1 4.3257 4.424828 2.075195