3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.5861145 2.037966 1.386385 1 1.753714 0.1239015 0.8813278 1 2.433676 2.579923 0.1878471