4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.93027 4.335521 2.71498 1 3.224111 1.926009 3.138976 1 3.25696 5.839291 3.5821 1 4.357944 3.846788 3.485724