4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.710093 2.184767 1.78437 1 2.070396 0.3884364 3.505704 1 4.136321 0.0735686 2.280465 1 4.899653 2.615619 2.320252