3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 3.094301 3.068697 0.9512234000000001 1 1.987571 4.669451 1.625332 1 4.423578 5.309769 1.235348