4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.441642 1.737365 1.840337 1 1.815126 3.688812 0.8905128 1 2.603472 3.479991 3.236515 1 3.869651 3.231599 1.101882