5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.875325 2.956791 1.293332 1 2.112421 5.47429 1.464888 1 2.056962 4.106673 3.914817 1 3.228113 2.011758 3.122182 1 3.602336 4.040974 2.324239