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=-90.58010347598095 stress="0.0007028345122618705 0.00030062054672775696 0.0003251749449202038 0.00030062054672775696 0.0005776862691265053 0.0001354431168341774 0.0003251749449202038 0.0001354431168341774 0.0008633141272538644" free_energy=-90.58010347598095 pbc="F F F" C 35.22086729 34.98310996 34.77096654 9.09360755 8.93991872 12.53794911 C 36.15142137 35.93572417 35.98055861 -7.67547763 -4.77951664 -15.82590809 C 36.67756578 37.22516294 35.23402360 -1.42300951 -4.14795659 3.27759430 C 38.60714772 38.38846909 36.18004449 4.55804460 -2.71683487 2.52687343 C 37.29465675 34.93158033 37.83765651 13.65381203 7.26830439 6.00309994 C 38.85840215 35.76443239 38.52583685 -8.23937128 -11.63627236 8.97328099 C 35.01305245 38.37091231 38.11880303 0.00904196 0.00469965 0.01216903 C 36.48039588 39.19849762 39.32791220 -11.30211084 5.75436294 4.88512961 C 40.66534341 35.08420154 35.01871475 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35.30609528 42.83814538 37.63905551 7.23811166 9.89195262 17.74059221 C 35.90975672 43.66349090 39.11824152 -7.22949457 -9.90400045 -17.73469095 C 40.07691087 40.37610830 35.02429146 0.00128947 -0.00945898 0.00311828 C 41.60365422 41.12475624 36.46651109 4.52182391 4.08379186 -3.64880208 C 41.81572304 42.57418108 35.19237007 -1.13762637 -7.67185035 6.74460724 C 43.77998887 43.84689383 36.36417419 0.00082088 0.00037713 -0.00652725 C 42.58087455 40.09122498 37.35935114 -3.37795458 3.57163116 -3.06965464 C 43.69199418 41.33668068 38.69436414 -0.00721994 0.00365109 -0.01343550 C 39.66448343 42.61247168 37.57159319 11.04557978 5.25272500 9.63720184 C 40.97555741 42.84117247 38.89352680 -9.71195536 -1.08827166 -11.91215647 C 35.41842707 35.38305112 39.19257121 -0.00015027 0.00859543 0.00075269 C 35.74317334 36.09374280 41.26851604 3.83555401 -3.90538823 2.15467943 C 36.76038493 37.98439513 39.72956113 1.48101091 -1.94450924 -0.14029894 C 38.55150311 38.51894432 41.34725891 11.47147438 14.80184970 -11.79736612 C 36.82109495 35.00024689 41.87628816 -3.82570801 3.88490717 -2.16344465 C 39.08450338 35.75571598 43.58475277 12.25700004 15.08174350 -9.79185789 C 34.99655912 37.96978731 42.51668654 14.04377653 10.85263147 11.91729446 C 36.22422232 38.91950201 43.54655608 -9.88415850 -7.09845301 -14.14498124 C 39.48112682 35.26114691 40.25032740 -5.40357417 4.36360140 -14.95670627 C 41.48837336 36.00831489 41.15449098 16.31575805 -3.39869373 0.81037850 C 42.84911873 36.80937418 40.08801189 0.31799537 -10.59697957 -4.09571435 C 43.60556472 38.49425818 41.03735392 -0.01107972 -0.00607112 -0.00195209 C 42.20384740 34.85081933 42.23870751 -5.94284480 9.41014239 -8.78174260 C 43.57482201 36.25082232 43.60853791 0.01516241 -0.00897985 0.00862335 C 40.09980901 37.00409575 42.77385137 -12.27791087 -15.07365200 9.78790376 C 41.35459120 39.16259925 43.98598378 -0.01229767 -0.00648160 0.00717335 C 35.05370384 39.95662146 40.02567089 16.32712953 8.98135176 5.74348310 C 35.64418629 41.24709340 41.08813660 -6.49053113 -12.78560532 -10.51816243 C 37.82350393 42.21827495 39.80335328 4.76800522 6.22456182 6.28437449 C 38.63834321 43.28337470 40.87827378 -4.75743887 -6.20649743 -6.26653621 C 37.36102597 39.94186987 42.97296820 -1.01249266 -1.58364998 4.24570895 C 38.79631150 40.93527427 43.89510889 -3.12513437 -2.17201300 -2.01597199 C 34.64091186 43.07869929 42.69904864 0.00870406 -0.00819838 -0.00550850 C 36.52400295 43.79466744 43.44753526 0.00037746 0.00890434 -0.00125187 C 39.50493887 39.74812168 40.36805486 -11.46757680 -14.80259692 11.76451872 C 40.81361915 41.22892384 41.12165250 -0.11164255 0.94966746 1.06901339 C 42.34497277 43.23479106 39.71375535 -5.10316209 -1.48334302 -3.02161553 C 43.91282868 43.75484312 41.85766015 0.00433927 -0.00018453 -0.00568672 C 42.93254863 40.60408419 42.31583657 3.95213987 6.28940822 14.28204172 C 43.40100039 41.34897719 44.00395371 -3.96737432 -6.30444398 -14.28619748 C 40.71162819 42.11536967 42.13716159 0.09830856 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