PERIODIC_GRAPH ID sqc377 EDGES 1 1 -1 0 0 1 2 -2 -2 2 1 2 0 -1 2 1 2 0 0 0 1 2 0 0 1 1 2 0 1 0 1 3 0 0 0 2 2 -1 -2 2 2 3 1 1 -1 3 3 -1 -1 1 END CRYSTAL ID sqc377_maximal GROUP P222 CELL 0.85885 1.64529 0.96047 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.0 2 8 0.0 0.27273 0.0 EDGE 0.0 0.27273 0.0 1.0 -0.27273 0.0 0.0 0.0 0.0 0.0 0.27273 0.0 0.0 0.27273 0.0 0.0 0.72727 1.0 0.0 0.27273 0.0 1.0 0.27273 -1.0 0.0 0.27273 0.0 0.0 0.72727 0.0 0.0 0.0 0.0 1.0 0.0 0.0 END CRYSTAL ID sqc377_relaxed GROUP P222 CELL 0.88145 1.97198 0.62462 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.0 2 8 0.0 0.2424 0.0 EDGE 0.0 0.2424 0.0 1.0 -0.2424 0.0 0.0 0.0 0.0 0.0 0.2424 0.0 0.0 0.2424 0.0 0.0 0.7576 1.0 0.0 0.2424 0.0 1.0 0.2424 -1.0 0.0 0.2424 0.0 0.0 0.7576 0.0 0.0 0.0 0.0 1.0 0.0 0.0 END