4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.1216963 0.8434563 0.6529034 1 1.22339 2.430398 0.5407666 1 1.204993 2.740018 2.994063 1 2.532779 1.090129 0.1823715