4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.313891 1.116241 2.673861 1 0.9757071 2.889413 1.489712 1 1.633474 0.1638512 0.5892112 1 2.566803 2.188641 0.09068099