Triclinic periodic calculation 64 atoms 0.0 10.7042234 xlo xhi 0.0 10.7042234 ylo yhi 0.0 10.7042234 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 2.4010384 2.8009794 1.0593894 2 1 1.5148004 5.0003374 1.0481604 3 1 4.3778824 3.8594174 0.3278711 4 1 1.7279894 2.4894494 4.4628424 5 1 0.1297629 1.6301264 2.9731554 6 1 3.5636974 2.1610804 2.9739464 7 1 1.3083454 4.7201294 4.1867494 8 1 5.1383084 4.7437024 3.9177664 9 1 5.2483464 0.8931471 5.3642204 10 1 4.8443924 0.3202786 7.6559124 11 1 0.8672969 3.8142994 7.3161584 12 1 2.8975314 2.7494954 6.4804894 13 1 3.3877964 4.8856814 5.6775394 14 1 5.2543794 3.2776804 5.7834184 15 1 4.2548854 5.2436594 8.0248644 16 1 0.3230521 1.6845124 8.1994764 17 1 4.2635974 0.2325818 9.9843334 18 1 3.1233014 2.2667054 9.6237154 19 1 0.6931568 4.5058604 9.6113704 20 1 5.1462764 3.2161264 8.9478264 21 1 0.5883898 7.1378594 0.7067927 22 1 4.6948864 7.7204584 1.4185134 23 1 2.4492514 8.6382574 1.1453194 24 1 5.1758904 9.8034734 2.3304484 25 1 2.9254964 10.6511934 2.4212914 26 1 0.8270548 7.8606024 3.7818684 27 1 2.9680814 7.1281044 2.9567874 28 1 1.0465544 10.1867034 3.8462384 29 1 4.1676094 8.0393784 4.7857004 30 1 3.2708344 10.2892634 4.8344344 31 1 0.6308565 7.2406144 6.0183164 32 1 2.8136554 7.7856854 6.7398864 33 1 0.3920157 10.4420734 6.9549844 34 1 2.7132714 10.0432634 7.1496494 35 1 0.4276244 6.7974854 9.1407944 36 1 2.7807554 6.9099974 8.9100414 37 1 4.0120494 8.5713504 10.0403334 38 1 5.5393334 2.3566544 1.6628424 39 1 6.2066264 0.3633411 0.6463288 40 1 8.1193594 0.252634 2.0872004 41 1 8.3596414 5.1773214 2.4593584 42 1 10.4517034 3.9937184 2.3369434 43 1 9.5660494 3.5591804 0.035033 44 1 7.4907034 0.1522587 5.3288214 45 1 8.6087984 1.7230944 3.8951794 46 1 7.0161094 3.3882234 3.1778134 47 1 9.1175434 2.3570904 7.0728944 48 1 6.3152754 5.2685554 6.8362834 49 1 8.3395284 4.4576014 7.7478004 50 1 10.3109434 5.1497614 5.6956994 51 1 7.8664654 1.5095364 8.8495064 52 1 9.7950504 1.3392214 10.1295534 53 1 7.3878144 3.6661644 9.7070424 54 1 8.9713274 7.0529824 1.0876804 55 1 9.9139684 10.1317134 0.7813031 56 1 6.1825404 6.5896414 4.9032334 57 1 8.5470164 6.3262834 4.4575954 58 1 7.2007324 9.3420634 3.5400004 59 1 9.2406324 8.1515074 3.1530214 60 1 7.0950974 10.2901834 7.6391944 61 1 9.5990564 8.7306904 6.4404134 62 1 10.2376134 9.0476474 8.8492394 63 1 8.0754484 8.1689354 8.1464124 64 1 8.3007324 8.8649124 10.3945434 Masses 1 28.0855