4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.864683 1.866161 1.825326 1 1.617619 4.144917 1.356057 1 3.090269 3.905988 2.739114 1 3.727671 1.752123 3.16656