3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.220541 0.5476182000000001 1.326633 1 1.180317 2.020804 0.6524165 1 1.733629 2.080355 2.664362