PERIODIC_GRAPH ID sqc96 EDGES 1 1 -1 -1 0 1 1 -1 0 0 1 1 0 -1 0 1 1 0 0 -1 1 2 -1 0 -1 1 2 -1 0 0 1 2 0 0 -1 1 2 0 0 0 END CRYSTAL ID sqc96_maximal GROUP Cmmm CELL 1.0567 2.36458 1.18216 90.0 90.0 90.0 ATOM 1 12 0.0 0.0 0.0 2 4 0.0 0.5 0.5 EDGE 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.5 0.0 0.5 0.0 0.0 0.0 0.5 0.5 0.0 0.0 0.0 0.0 1.0 0.0 0.0 END CRYSTAL ID sqc96_relaxed GROUP Cmmm CELL 1.22 1.71976 1.22032 90.0 90.0 90.0 ATOM 1 12 0.0 0.0 0.0 2 4 0.0 0.5 0.5 EDGE 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.5 0.0 0.5 0.0 0.0 0.0 0.5 0.5 0.0 0.0 0.0 0.0 1.0 0.0 0.0 END