PERIODIC_GRAPH ID sqc8942 EDGES 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 5 1 1 0 1 6 0 0 0 1 6 0 1 0 1 7 0 0 0 1 7 1 0 0 1 8 0 0 0 1 9 0 0 0 1 10 0 0 0 2 5 0 0 0 2 6 0 0 1 2 7 0 0 0 3 5 1 0 1 3 6 0 0 0 3 7 1 0 0 4 5 1 1 0 4 6 0 1 0 4 7 1 0 1 5 6 -1 0 -1 5 6 0 0 1 5 7 0 -1 1 5 7 0 0 -1 5 8 0 0 0 5 9 0 -1 1 5 10 -1 -1 0 6 7 0 0 -1 6 7 1 -1 1 6 8 0 0 0 6 9 0 -1 0 6 10 0 -1 1 7 8 0 0 1 7 9 0 0 0 7 10 -1 0 0 END CRYSTAL ID sqc8942_maximal GROUP Pn-3m CELL 1.90702 1.90702 1.90702 90.0 90.0 90.0 ATOM 1 4 0.25 0.25 0.75 2 12 0.0 0.0 0.5 EDGE 0.0 0.0 0.5 0.25 -0.25 0.25 0.0 0.0 0.5 0.0 0.5 1.0 END CRYSTAL ID sqc8942_relaxed GROUP Pn-3m CELL 1.90702 1.90702 1.90702 90.0 90.0 90.0 ATOM 1 4 0.25 0.25 0.75 2 12 0.0 0.0 0.5 EDGE 0.0 0.0 0.5 0.25 -0.25 0.25 0.0 0.0 0.5 0.0 0.5 1.0 END