PERIODIC_GRAPH ID sqc12287 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 3 6 0 0 0 3 8 0 0 0 4 9 0 0 0 4 10 0 0 0 5 10 0 0 0 5 11 0 0 0 6 12 0 0 0 6 13 0 0 0 7 14 0 0 0 7 15 0 0 0 8 16 0 0 0 8 17 0 0 0 9 18 0 0 0 9 19 0 0 0 10 20 0 0 0 10 21 0 0 0 11 22 0 0 0 11 23 0 0 0 12 24 0 0 0 12 25 0 0 0 13 25 0 0 0 13 26 0 0 0 14 27 0 0 0 14 28 0 0 0 14 29 0 0 0 15 29 0 0 0 15 30 0 0 0 15 31 0 0 0 16 30 1 0 0 16 31 1 0 0 16 32 0 0 0 17 27 0 1 0 17 28 0 1 0 17 32 0 0 0 18 26 0 0 1 18 33 0 0 0 18 34 0 0 0 19 26 0 0 1 19 35 0 0 0 19 36 0 0 0 20 25 -1 0 1 20 32 0 -1 0 21 25 -1 0 1 21 29 0 0 1 22 24 -1 1 1 22 35 -1 0 0 22 36 -1 0 0 23 24 -1 1 1 23 33 -1 1 1 23 34 -1 1 1 27 36 0 -1 -1 28 34 -1 0 0 30 35 -1 0 0 31 33 -1 1 0 END CRYSTAL ID sqc12287_maximal GROUP I4132 CELL 5.93879 5.93879 5.93879 90.0 90.0 90.0 ATOM 1 3 0.05 0.3125 0.4 2 4 0.125 0.2 0.45 EDGE 0.05 0.3125 0.4 0.15 0.4375 0.3 0.125 0.2 0.45 0.3 0.15 0.4375 0.125 0.2 0.45 0.05 0.3125 0.4 END CRYSTAL ID sqc12287_relaxed GROUP I4132 CELL 5.8507 5.8507 5.8507 90.0 90.0 90.0 ATOM 1 3 0.03681 0.32143 0.38098 2 4 0.125 0.18558 0.43558 EDGE 0.03681 0.32143 0.38098 0.13098 0.42857 0.28681 0.125 0.18558 0.43558 0.28681 0.13098 0.42857 0.125 0.18558 0.43558 0.03681 0.32143 0.38098 END