PERIODIC_GRAPH ID sqc13520 EDGES 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 2 6 0 0 0 2 7 0 0 0 2 8 0 0 0 3 7 0 0 0 3 9 0 0 0 3 10 0 0 0 4 8 0 0 0 4 11 0 0 0 4 12 0 0 0 5 12 0 0 0 5 13 0 0 0 5 14 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 8 17 0 0 0 8 20 0 0 0 9 19 0 0 0 9 21 0 0 0 9 22 0 0 0 10 22 0 0 0 10 23 0 0 0 10 24 0 0 0 11 20 0 0 0 11 23 1 0 0 11 25 0 0 0 12 26 0 0 0 12 27 0 0 0 13 21 0 1 0 13 27 0 0 0 13 28 0 0 0 14 15 0 0 1 14 24 0 0 0 14 28 0 0 0 15 29 0 0 0 15 30 0 0 0 16 29 0 0 0 16 31 0 0 0 16 32 0 0 0 17 32 0 0 0 17 33 0 0 0 18 30 0 0 0 18 34 0 0 0 18 35 0 0 0 19 31 -1 0 0 19 35 0 0 0 20 34 1 -1 1 20 36 0 0 0 21 31 -1 0 0 21 37 0 0 0 22 38 0 0 0 22 39 0 0 0 23 39 0 0 0 23 40 0 0 0 24 30 0 0 1 24 40 0 0 0 25 36 0 0 0 25 37 1 0 1 25 39 1 0 0 26 33 0 1 0 26 40 1 0 0 26 41 0 0 0 27 37 0 1 0 27 41 0 0 0 28 29 0 0 1 28 38 0 1 0 29 42 0 0 0 30 43 0 0 0 31 44 0 0 0 32 44 0 0 0 32 45 0 0 0 33 43 1 -1 1 33 45 0 0 0 34 43 0 0 0 34 46 0 0 0 35 42 -1 0 0 35 46 0 0 0 36 44 0 0 1 36 46 1 -1 1 37 44 -1 0 0 38 42 0 -1 1 38 47 0 0 0 39 47 0 0 0 40 43 0 0 1 41 45 0 1 0 41 47 0 1 -1 42 48 0 0 0 45 48 0 -1 0 46 48 -1 0 0 47 48 0 -1 1 END CRYSTAL ID sqc13520_maximal GROUP Ia-3d CELL 6.01841 6.01841 6.01841 90.0 90.0 90.0 ATOM 1 4 0.0119 0.15476 0.39286 EDGE 0.0119 0.15476 0.39286 0.15476 0.10714 0.5119 0.0119 0.15476 0.39286 0.09524 0.2619 0.35714 END CRYSTAL ID sqc13520_relaxed GROUP Ia-3d CELL 5.86926 5.86926 5.86926 90.0 90.0 90.0 ATOM 1 4 0.01067 0.13571 0.40086 EDGE 0.01067 0.13571 0.40086 0.13571 0.09914 0.51067 0.01067 0.13571 0.40086 0.11429 0.26067 0.34914 END