3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.5185381 0.3482444 2.81765 1 1.710776 0.3989815 1.008223 1 2.279882 2.750056 0.07295921