3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.1422901 0.9174123 1.384086 1 1.244106 2.611913 0.4348176 1 2.111224 0.3821448 2.019126