4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.101107 2.382088 1.155059 1 1.870329 4.675053 0.5879216 1 2.558831 4.133121 3.113399 1 4.446179 2.802067 2.809564