Triclinic periodic calculation 64 atoms 0.0 10.6816325 xlo xhi 0.0 10.6816325 ylo yhi 0.0 10.6816325 zlo zhi 0.0 0.0 0.0 xy xz yz 1 atom types Atoms 1 1 0.68697245641 0.6530825 2.7109955 2 1 2.54075564219 0.8330068 0.110052 3 1 2.5774226772 1.9667125 2.1466675 4 1 0.194101292281 0.7193468 0.3725346 5 1 0.020934449463 3.9919635 1.1344515 6 1 5.29740339307 3.1625515 1.0184485 7 1 3.8947928778 0.7389469 3.6595805 8 1 1.73774420605 4.1494695 2.7423335 9 1 1.87755447548 3.5822795 5.0425875 10 1 1.54967186595 0.3067523 7.3803525 11 1 2.51139663668 1.3868885 5.4538495 12 1 4.40272471601 2.1135065 6.5229545 13 1 3.28461920138 4.1474625 6.8763735 14 1 5.01587641612 0.5160776 8.1226425 15 1 4.16831603305 2.1138515 9.7113135 16 1 0.116852208191 4.0322255 8.0269575 17 1 2.29195442877 3.4022765 8.8236855 18 1 4.92855894901 5.1151795 10.4237725 19 1 5.17417449326 4.7966025 8.0749925 20 1 1.87978429635 7.9460995 1.0311635 21 1 0.605461195765 6.1225405 0.2125135 22 1 0.032979420309 9.3790555 1.4712515 23 1 3.59403105446 9.5078605 0.7201231 24 1 5.0051606631 9.6269355 2.5928255 25 1 2.51196282324 6.4276215 2.8368785 26 1 0.627273188744 7.4020575 3.8535275 27 1 2.20407665479 8.9771965 4.8078035 28 1 2.43285026941 6.7101355 5.2137695 29 1 0.178294798033 6.2244675 5.7327015 30 1 0.272574658939 9.8843975 5.7863525 31 1 3.35015828463 9.4196585 7.0236645 32 1 2.64393619099 5.4821875 9.8693985 33 1 3.21797821028 7.3134815 8.3540065 34 1 1.54212990452 8.9571765 8.6734465 35 1 4.81985138556 8.3539005 9.8114845 36 1 9.6067754915 2.0421675 1.8979965 37 1 7.65015668454 2.9767165 0.7783044 38 1 8.64372246367 4.7961175 1.9379215 39 1 7.40617541762 0.136873 4.3029415 40 1 5.71903204181 1.8364015 4.5897345 41 1 5.87415120995 3.8527025 3.3663075 42 1 8.09743685863 3.8786105 4.0133325 43 1 7.43009752851 1.3453915 7.8492395 44 1 8.89182993305 0.4314381 6.1094445 45 1 7.04657850238 3.6854125 7.2419405 46 1 10.3861937517 3.8881265 5.7433125 47 1 9.39823128477 2.3728995 8.8495035 48 1 7.93931245513 4.0912905 9.4079635 49 1 7.70690344843 7.6611665 0.2613996 50 1 5.56147358236 7.0051645 0.9067477 51 1 7.08447188817 10.5352725 1.9281155 52 1 8.55845587224 8.7311235 2.1705815 53 1 5.56349364313 7.5988535 3.7510795 54 1 5.40804984574 5.5761635 4.9886765 55 1 7.53359630316 8.5203785 4.8609905 56 1 6.097076645 6.7221565 7.0963225 57 1 7.62530889615 5.4442935 5.7233355 58 1 5.38861920309 8.6561935 5.8532315 59 1 8.26446115098 9.0458815 7.1534255 60 1 10.4948658664 8.0666525 7.2553565 61 1 7.86222416171 6.4094325 8.9046595 62 1 10.2073357286 6.2345855 8.8204325 63 1 6.69488175794 9.7094555 10.3946325 64 1 8.54610913259 10.3170525 9.1348595 Masses 1 28.0855