4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.055832 0.6405486 1.855781 1 0.890095 2.704191 1.463006 1 2.442458 0.1179627 0.008714642 1 2.783596 2.546667 0.3462901