3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.448603 2.746721 2.051466 1 2.960262 1.172815 2.470748 1 2.00305 1.518703 0.09665451999999999