PERIODIC_GRAPH ID sqc12787 EDGES 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 2 3 0 0 0 2 7 0 0 0 2 8 0 0 0 2 9 0 0 0 3 4 0 0 0 3 8 0 0 0 4 8 0 0 0 4 10 0 0 0 4 11 0 0 0 5 10 0 0 0 5 12 0 0 0 5 13 0 0 0 5 14 0 0 0 6 9 0 0 0 6 15 0 0 0 6 16 0 0 0 6 17 0 0 0 7 18 0 0 0 7 19 0 0 0 7 20 0 0 0 7 21 0 0 0 8 21 0 0 0 8 22 0 0 0 9 15 0 0 0 9 23 0 0 0 9 24 0 0 0 10 13 0 0 0 10 23 1 0 0 10 24 1 0 0 11 18 0 1 0 11 19 0 1 0 11 22 0 0 0 11 25 0 0 0 12 13 0 0 0 12 22 0 0 1 12 23 1 0 0 12 26 0 0 0 13 23 1 0 0 14 18 0 1 1 14 22 0 0 1 14 25 0 0 1 14 27 0 0 0 15 16 0 0 0 15 24 0 0 0 16 21 -1 1 1 16 24 0 0 0 16 26 -1 1 0 17 19 -1 1 1 17 20 -1 1 1 17 21 -1 1 1 17 27 0 0 0 18 25 0 -1 0 18 28 0 0 0 19 20 0 0 0 19 29 0 0 0 20 21 0 0 0 22 25 0 0 0 23 28 0 0 0 24 29 -1 1 0 26 28 1 0 0 26 29 0 0 0 26 30 0 0 0 27 28 0 1 1 27 29 -1 1 1 27 30 -1 1 1 28 30 -1 0 0 29 30 0 0 0 END CRYSTAL ID sqc12787_maximal GROUP Im-3m CELL 6.26889 6.26889 6.26889 90.0 90.0 90.0 ATOM 1 4 0.0 0.25 0.5 2 5 0.0625 0.25 0.4375 EDGE 0.0625 0.25 0.4375 0.0625 0.4375 0.25 0.0 0.25 0.5 0.0625 0.25 0.4375 0.0625 0.25 0.4375 0.0625 0.25 0.5625 END CRYSTAL ID sqc12787_relaxed GROUP Im-3m CELL 5.24449 5.24449 5.24449 90.0 90.0 90.0 ATOM 1 4 0.0 0.25 0.5 2 5 0.10924 0.25 0.39076 EDGE 0.10924 0.25 0.39076 0.10924 0.39076 0.25 0.0 0.25 0.5 0.10924 0.25 0.39076 0.10924 0.25 0.39076 0.10924 0.25 0.60924 END