PERIODIC_GRAPH ID sqc1306 EDGES 1 2 0 0 0 1 2 0 1 0 1 2 1 0 0 1 2 1 1 2 1 3 0 0 0 1 3 1 0 1 1 4 0 0 0 1 4 0 0 1 2 5 0 0 0 2 5 1 0 1 2 6 0 0 0 2 6 0 0 1 3 6 0 1 1 4 5 1 1 1 END CRYSTAL ID sqc1306_maximal GROUP Cmma CELL 2.33096 2.33036 2.12642 90.0 90.0 90.0 ATOM 1 3 0.25 0.0 0.1 2 8 0.0 0.25 0.2 EDGE 0.0 0.25 0.2 0.0 0.75 0.8 0.25 0.0 0.1 0.0 0.25 0.2 0.0 0.25 0.2 0.5 0.25 -0.2 0.25 0.0 0.1 0.25 0.0 -0.1 END CRYSTAL ID sqc1306_relaxed GROUP Cmma CELL 1.61454 1.68195 1.17772 90.0 90.0 90.0 ATOM 1 3 0.25 0.0 0.42326 2 8 0.0 0.25 0.26052 EDGE 0.0 0.25 0.26052 0.0 0.75 0.73948 0.0 0.25 0.26052 0.25 0.0 -0.42326 0.0 0.25 0.26052 0.5 0.25 -0.26052 0.25 0.0 0.42326 0.25 0.0 -0.42326 END