64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=271355.06400035287 stress="-1.9799396111978933 1.7307588021069427 -0.8229402375070161 1.7307588021069427 -4.69411576505958 0.23551168618229532 -0.8229402375070161 0.23551168618229532 -2.981130256456982" pbc="F F F" Hs 35.33351494 35.50941649 34.78397667 -15.24907142 -1.55088381 -24.09475856 Hs 36.68740734 35.85416777 36.72636255 -451675.86834499 877651.48029149 -252491.60964084 Hs 37.33279254 37.55533387 34.70692546 3.30268366 -0.47427200 10.95685228 Hs 39.02891846 38.77486846 36.71583668 -135474.74791748 213532.83397264 -154842.07729516 Hs 37.19733512 34.86341712 37.01142992 451714.93074648 -877636.15611135 252522.21728452 Hs 38.64781805 35.64911352 39.22384327 -110.17831978 43.03784550 -15.78420453 Hs 34.67060916 37.10425758 37.58780093 2.04024876 7.08460083 6.36967848 Hs 36.64233215 38.58188913 38.91459296 -192212.34973195 42252.53052426 -30717.80069484 Hs 39.32377696 34.96030575 34.83760635 -4.54931108 6.64758793 8.29849527 Hs 41.38249236 36.02125580 36.44033692 -32.85950955 28.57386035 -29.78100294 Hs 43.20845574 37.68768461 35.39756223 -1046.46723535 -1523.55534963 -1233.54260083 Hs 44.06549557 38.94230981 36.41496838 1033.51347634 1529.15877135 1241.02048251 Hs 42.62244952 34.88624173 38.08371308 -1127.70841323 -1380.27520085 -1723.73971051 Hs 43.49692695 35.86982572 39.33022726 1216.89106503 1348.40526977 1712.46260857 Hs 39.60683487 37.86432663 37.37553501 134652.73613539 -214694.49093891 153381.17335998 Hs 40.46476608 38.86256706 38.66625203 790.76455117 646.64938676 1095.36665620 Hs 35.02159562 40.23145935 35.29775515 -36.27227945 -25.94511598 -49.74043450 Hs 36.33908825 41.05834950 36.99199127 13279.29125363 -14528.99487705 -6119.34866971 Hs 37.68310196 42.08137833 35.11033062 -20921.25660783 -23213.18789758 -18803.06558660 Hs 38.53420366 43.02536900 35.87502371 20881.50286501 23205.74135753 18757.26641994 Hs 37.40396939 39.26577380 38.04232560 74685.18296858 67322.29551395 -85682.99922129 Hs 38.13363566 41.71615792 39.08214915 3237.70911044 -4248.87594343 -3988.82720938 Hs 35.34515672 42.15229676 37.45402017 -14512.24203651 12995.48670158 5221.70817664 Hs 36.37452465 43.45126450 38.22415146 1195.25787957 1638.48264515 804.20861253 Hs 39.88440730 39.69045644 34.82081019 -27.58282807 -16.15867722 -139.48324476 Hs 41.14702173 40.83004556 36.29321567 -3395.99869561 -1035.87276463 -1664.84845026 Hs 41.83800104 41.78861524 34.99528896 1505.28004467 2097.62678216 -2869.06873645 Hs 43.41584492 43.37214830 35.98675558 10.53118541 10.02442227 16.10415297 Hs 41.79595725 40.48332160 37.84773783 1965.49860392 -975.76244084 4534.55616499 Hs 43.35313825 41.96605510 38.84494016 122390.09679861 -91398.88008714 -141474.87692175 Hs 40.00660637 42.96503949 37.65175650 -14790.86686974 -18563.56726937 -28243.80508308 Hs 40.60180242 43.70902440 38.78672642 14826.41305564 18545.34671805 28295.28614696 Hs 35.62594608 35.55413911 40.25869911 -135.46577663 -144.96876566 -421.89602291 Hs 36.25520039 36.22885827 42.08219592 -449.83668301 940.58938826 -289.80542926 Hs 37.41437232 37.86224816 39.68005147 115481.89492685 -110600.89183521 115128.04264591 Hs 38.74256526 38.58040276 40.67330256 1915.72271143 1036.25506936 1403.88140962 Hs 37.22220942 34.92140807 43.06117889 675.68417963 -913.40919172 680.80596345 Hs 39.10806360 36.65356653 43.64690275 -5563.21457953 -6219.24489670 7017.29333886 Hs 35.20305817 38.14120766 42.33528125 -78.56885115 133.48909943 -2.61600805 Hs 36.67104930 39.07772509 44.08990630 -117.62608566 -110.33475369 222.52660874 Hs 40.76026184 34.94229446 39.44954170 -194.09377419 -292.38071210 -415.23371996 Hs 41.61413204 35.84232862 41.03064081 -4485.65449392 5625.82359139 -8097.90265117 Hs 42.12030440 37.78411195 40.12753662 -1318.17887936 -1445.17909244 -1466.66738523 Hs 43.08884866 38.92409190 41.14957417 1980.60932924 490.80797102 -791.08846119 Hs 42.28981370 35.05208381 42.27437042 4380.02924612 -5557.65885594 8401.79300516 Hs 43.91971762 35.45955133 43.48195126 304.52484851 79.64431016 224.64885660 Hs 39.93652756 37.58069017 42.60075685 3029.35963086 4438.53379438 -9162.89038850 Hs 41.12227255 38.41091562 43.59975445 2417.30618695 1675.33569523 2208.75020040 Hs 34.87271515 40.00249562 40.35240318 -706.75038162 -2036.04604134 -1233.07768065 Hs 35.39627863 41.48827280 41.25113353 -6845.60649904 -98199.44355743 -65019.19945247 Hs 37.31482315 42.78912927 40.09271522 -3181.00131492 4180.67477659 4085.01374780 Hs 38.57454517 43.00588065 42.08418555 -27036.16439632 11146.42928625 -7121.14929796 Hs 37.68921516 39.96528556 42.46040922 -31.00472195 -29.98748748 -380.45467852 Hs 38.89376281 41.16790858 43.71916725 -11.39772108 -75.06129965 387.41770839 Hs 35.48143569 42.61593563 41.99652090 7772.09472073 97349.11232087 64206.77947522 Hs 35.38300322 44.05426272 43.01871941 -193.06025268 2871.64795494 2040.25321601 Hs 40.74487676 40.32257726 40.05093899 -88691.82373570 -241955.43732172 -387855.59448009 Hs 40.97737977 40.95737538 41.06795396 88788.08029033 242261.62461281 388173.57873613 Hs 42.58974965 42.53638711 39.72762208 -122476.74785635 91347.08232157 140968.76734376 Hs 43.00115355 42.77417729 41.69367527 99.89548142 54.25721422 527.17899818 Hs 42.63256709 39.70399078 42.71792977 -2340.32481966 -1212.41407209 251.64719900 Hs 43.53305535 40.90436391 43.64930869 1811.61180320 2423.26127452 1873.83893487 Hs 39.92654184 42.44929467 42.44113474 23855.98769932 -14079.69029643 2435.58268391 Hs 40.79652575 43.28582507 43.62348222 3336.97426796 3199.92107681 4527.27395809