4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.8096371999999999 4.258191 1.47714 1 2.994591 3.495273 0.7283127 1 2.242727 3.316143 2.81578 1 4.437987 1.666008 1.836401