4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.863392 0.9174024 2.131679 1 1.743785 3.161179 2.338482 1 3.796379 2.424216 2.662572 1 3.364653 4.523699 1.7279