4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.462268 3.520153 1.401605 1 2.78712 3.532007 3.744933 1 3.256487 1.79004 1.657951 1 4.555745 3.872199 2.03858