5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.082752 2.058358 1.918508 1 1.804708 3.969119 3.022657 1 3.997636 1.573064 0.3548062 1 3.986466 2.315414 3.180743 1 3.658552 3.790773 1.50531