PERIODIC_GRAPH ID sqc484 EDGES 1 2 0 0 0 1 2 0 0 1 1 2 1 0 0 1 2 1 0 1 1 3 0 0 0 1 3 0 1 0 2 2 -1 0 0 3 4 0 0 0 3 4 0 0 1 4 4 -1 0 0 END CRYSTAL ID sqc484_maximal GROUP Pmmm CELL 2.62596 1.51606 1.07213 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.0 2 6 0.5 0.5 0.0 3 4 0.0 0.5 0.0 4 6 0.5 0.0 0.5 EDGE 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.5 0.0 0.5 0.5 0.5 0.0 0.0 0.5 0.0 0.5 0.5 0.0 0.5 0.0 0.5 0.5 0.0 -0.5 END CRYSTAL ID sqc484_relaxed GROUP Pmmm CELL 2.01013 1.84234 0.98476 90.0 90.0 90.0 ATOM 1 4 0.0 0.0 0.0 2 6 0.5 0.5 0.0 3 4 0.0 0.5 0.0 4 6 0.5 0.0 0.5 EDGE 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.5 0.0 0.5 0.5 0.5 0.0 0.0 0.5 0.0 0.5 0.5 0.0 0.5 0.0 0.5 0.5 0.0 -0.5 END