3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.7811496999999999 3.041926 1.804822 1 1.764205 4.847879 1.745333 1 3.620074 3.019064 1.127485