4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.889016 4.339495 1.275975 1 2.554838 3.101562 2.999193 1 4.055705 3.657127 1.332404 1 4.476672 4.505138 3.486766