4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.683384 0.6467413 1.642761 1 3.245791 2.703982 2.222722 1 3.737288 4.91418 2.043298 1 4.142825 3.455017 4.506693