4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.714734 1.466262 2.616829 1 1.672695 3.586506 2.191402 1 5.072274 0.9269389 2.177539 1 4.025413 3.317035 2.158848