4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.107976 2.819188 1.252407 1 2.630591 3.411672 3.024039 1 3.968262 4.362454 1.692316 1 3.394725 3.292047 0.1208017