5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.007741 0.810981 1.851579 1 2.28758 2.972606 1.775704 1 2.775609 2.277586 3.884458 1 3.461309 1.568578 0.4572952 1 4.556331 2.173826 2.191246