108 Lattice="10.396141305325079 0.0 0.0 0.0 10.396141305325079 0.0 0.0 0.0 10.396141305325079" Properties=species:S:1:pos:R:3:forces:R:3 energy=-399.2677882990834 stress="-0.006867423918439069 -0.0010948965065026072 -0.0002344565570244054 -0.0010948965065026072 -0.006348346136113086 0.00020900816689875895 -0.0002344565570244054 0.00020900816689875895 -0.006918408658608133" free_energy=-399.2677882990834 pbc="F F F" Ni 0.01608758 0.01932750 0.01697171 0.68278913 0.76123694 0.70872945 Ni 1.73999176 1.74624920 0.00611060 0.09288352 -0.30665943 -0.56938493 Ni 1.75028284 0.02757223 1.70725052 -0.24342103 -0.55298578 0.08436471 Ni 0.00639531 1.76725493 1.74880291 -0.63793665 -0.66756301 -0.25025937 Ni 3.48343831 0.02129131 0.02245322 -0.04093107 0.19842214 0.21115534 Ni 5.19140620 1.73963101 0.02799245 0.21682801 -0.27452709 -0.74358091 Ni 5.23164976 0.03414363 1.75696118 0.01003183 -0.62574988 -0.18821094 Ni 3.48810019 1.74589198 1.76642410 -0.30449868 -0.21780631 -0.39685595 Ni 6.97499686 0.00045904 0.03406826 -0.19216228 0.46167892 0.41556741 Ni 8.66055324 1.70373352 0.03110175 -0.33827171 0.14232466 0.35171651 Ni 8.65387137 0.01930669 1.75921250 -0.30575855 0.39067068 0.00081303 Ni 6.92396605 1.78585035 1.74943008 0.34693159 -0.41525423 -0.12308504 Ni 0.03770830 3.43202509 0.02937423 -0.05874327 0.18310723 -0.07648729 Ni 1.73024131 5.22463324 0.00591992 -0.10730204 -0.06682161 -0.62188292 Ni 1.73539083 3.44300864 1.70352032 0.27453126 0.46567095 0.41441677 Ni 0.01066367 5.21899075 1.70858600 -0.36485662 -0.03445638 0.12599507 Ni 3.48695995 3.49588980 0.00663242 -0.39466669 -0.38521845 -0.69318046 Ni 5.19377937 5.16412552 0.03157293 0.30190498 0.32690793 -0.89918159 Ni 5.19387990 3.44525466 1.70468935 0.26295875 0.29245119 0.65838805 Ni 3.47975057 5.19772179 1.70642678 -0.32030717 0.04923919 0.69561566 Ni 6.93564836 3.46324632 0.01547933 0.20736192 -0.07468325 -0.64398632 Ni 8.66770712 5.16913427 0.01720709 -0.28008521 0.34178412 0.13819537 Ni 8.69078045 3.49534919 1.70679968 0.33677074 -0.25605899 0.20156309 Ni 6.91665491 5.21915481 1.73355539 0.24687217 -0.32970153 0.27706067 Ni 0.00168406 6.96984186 0.01388833 0.35861922 -0.10102396 0.25423374 Ni 1.70996428 8.68260132 0.01887013 0.12984955 -0.42575820 0.25978136 Ni 1.76527564 6.93301851 1.70832354 -0.34058823 0.13717715 0.34983106 Ni 0.00470430 8.64265351 1.71047669 0.36321311 -0.32959796 0.21340969 Ni 3.49434178 6.92400989 0.01997649 -0.22078773 0.17440028 -0.76876868 Ni 5.17766362 8.64607402 0.03153491 0.29530523 -0.02355564 0.11939512 Ni 5.23037908 6.91457327 1.71512029 -0.29970819 0.31013043 0.43345106 Ni 3.45434008 8.66502641 1.70635747 -0.07101894 0.47405356 0.24171293 Ni 6.91567571 6.92774394 0.00742242 0.41482228 0.19201044 -0.53913633 Ni 8.65644401 8.68656540 0.01211639 -0.72691838 -0.83435686 0.75056601 Ni 8.65795262 6.92649203 1.75107161 0.40024755 0.12269438 -0.15453833 Ni 6.97647337 8.67990720 1.73616364 -0.08641624 0.36584611 -0.21095781 Ni 0.00931027 0.01002281 3.49366220 0.23136563 0.17942405 -0.29064608 Ni 1.72383064 1.72174490 3.43991530 0.30213588 0.11850083 0.22013573 Ni 1.75811168 0.00766931 5.17723765 -0.31629057 -0.57625931 0.35318634 Ni 0.02643750 1.73448614 5.18362155 -0.58729368 -0.22261212 0.20702453 Ni 3.48131185 0.00147361 3.47998230 -0.08014421 -0.46756911 -0.24220262 Ni 5.19334069 1.76414915 3.46213021 0.13879181 -0.14455454 0.18039803 Ni 5.16370602 0.03125890 5.22959336 0.32375765 -0.68083037 -0.32790244 Ni 3.45398550 1.73103527 5.21940387 0.16383244 0.33897104 -0.42617094 Ni 6.95693862 0.02831675 3.47136370 -0.11907089 -0.59163069 0.05615847 Ni 8.64085496 1.76163957 3.49031604 0.81659644 -0.26437190 -0.25381254 Ni 8.67773802 0.01010267 5.22705446 -0.29050256 0.23481628 -0.06365793 Ni 6.90485121 1.72644404 5.17706443 0.13312928 0.14830883 0.52308703 Ni 0.02091142 3.44612061 3.43997737 -0.41803558 0.39781981 0.21196068 Ni 1.75298923 5.22021342 3.49441230 0.15373216 -0.43576683 -0.62794665 Ni 1.75638891 3.45164180 5.22325245 -0.06566324 0.12741337 -0.62293828 Ni 0.03147351 5.22525707 5.18630515 -0.86808207 -0.39861685 0.13090831 Ni 3.47255850 3.43499207 3.43299277 -0.35962557 0.33310997 0.24685350 Ni 5.17866270 5.18252966 3.44547564 0.29199921 0.26099486 -0.01959307 Ni 5.20575974 3.49532553 5.16486076 -0.23195317 -0.60198066 0.34491640 Ni 3.49903299 5.16690797 5.16667343 -0.33896265 0.44153018 0.40070783 Ni 6.95392536 3.44988525 3.49865266 -0.48230081 0.32213026 -0.61980640 Ni 8.64179643 5.17323831 3.49183108 0.50922047 0.39472667 -0.44033503 Ni 8.67691004 3.49144965 5.17416022 0.55804575 -0.35904966 0.60996729 Ni 6.92722664 5.16755824 5.20688876 -0.06439889 0.55864604 -0.13443980 Ni 0.00929125 6.91628628 3.47381446 -0.51857982 0.27397625 -0.42605085 Ni 1.70382697 8.68425112 3.48670522 0.16644565 0.31831754 -0.38467886 Ni 1.70767334 6.91706204 5.18912714 0.63006330 0.22028289 0.32035173 Ni 0.02846864 8.65547820 5.18749336 -0.04825083 -0.04193659 0.11060603 Ni 3.45709981 6.94970041 3.47819465 0.27704949 -0.15341974 -0.21177136 Ni 5.20700856 8.69006637 3.43039278 -0.14674715 0.31570760 0.06093830 Ni 5.22888292 6.94097245 5.24746102 -0.28272453 -0.14194252 -0.40558631 Ni 3.46384901 8.63748680 5.20926592 -0.05377785 0.56404913 0.05688003 Ni 6.89618036 6.95733015 3.47795042 0.32130598 -0.33300055 -0.03151240 Ni 8.67040941 8.69518477 3.45977878 -0.25147360 -0.42643316 0.00333273 Ni 8.69510236 6.90669628 5.18082704 0.22774608 0.36689713 0.11650102 Ni 6.93902508 8.67716424 5.16500100 0.18739337 0.44696315 0.38698380 Ni 0.00149293 0.00319625 6.97580418 0.65419906 0.66275223 -0.11456008 Ni 1.74957334 1.74844047 6.90203724 -0.40082645 -0.47551715 0.60875843 Ni 1.76500030 0.02884080 8.66644661 -0.18326286 0.44469498 -0.45092425 Ni 0.01103087 1.75924520 8.69264467 0.48199527 -0.24293321 -0.55603659 Ni 3.48164391 0.01026402 6.93757032 -0.41173999 -0.63401708 0.24414278 Ni 5.16092359 1.72301194 6.95135945 0.40896221 0.50610487 -0.20635148 Ni 5.18341359 0.03065667 8.65944856 0.15000091 0.15945207 -0.08433843 Ni 3.45259615 1.76533991 8.67258952 -0.20682165 -0.15790480 0.55891426 Ni 6.91065101 0.02302402 6.91121179 0.23389559 -0.43384926 0.30484721 Ni 8.68547802 1.71600444 6.91991405 0.17889215 0.25083002 0.14329590 Ni 8.63877026 0.03246966 8.64200762 -0.70070287 0.66220046 -0.68046461 Ni 6.92662410 1.76530696 8.65615904 0.26308177 -0.22339240 0.35266789 Ni 0.00878634 3.43778060 6.92238418 -0.67882561 0.13934517 0.17480684 Ni 1.70070032 5.17438922 6.90190075 0.42417782 0.37973197 0.29543692 Ni 1.68316841 3.48371680 8.66887567 0.09713389 -0.11057406 0.43648029 Ni 0.01178512 5.25677995 8.67871351 0.20501577 -0.08533342 -0.40859272 Ni 3.44593232 3.44579057 6.92497733 0.31650026 0.40073872 0.07603670 Ni 5.21501875 5.17969415 6.90721733 -0.26603317 0.17020266 0.40950906 Ni 5.19008032 3.45557086 8.69149913 0.13093252 0.24253633 0.27212637 Ni 3.43156814 5.17960782 8.67148807 0.20203698 0.11166423 0.22550714 Ni 6.90314305 3.45588328 6.90493865 0.34146048 -0.20123056 0.31697980 Ni 8.65946488 5.19053726 6.94685353 0.48573282 0.02643706 0.06510910 Ni 8.68711211 3.47206784 8.67800128 -0.49888814 -0.12248873 -0.48728173 Ni 6.94912411 5.23268062 8.66317240 -0.07293142 -0.19441196 0.35534397 Ni 0.02634542 6.97482316 6.92743220 -0.60789231 -0.16473906 0.27306476 Ni 1.70011237 8.68221778 6.94789576 0.28605529 0.40852934 0.01826135 Ni 1.74731654 6.93220948 8.68153171 -0.14975520 0.24566522 0.28315336 Ni 0.00774783 8.68983991 8.63447499 0.65410780 -0.73842138 -0.56024478 Ni 3.45422274 6.93108712 6.93985784 -0.17550339 -0.28597312 -0.21945485 Ni 5.18864981 8.69498066 6.96147399 0.27944176 0.43311405 -0.36727609 Ni 5.19783023 6.96284376 8.63022130 0.02712366 -0.37899148 0.48864691 Ni 3.49232236 8.67901760 8.63325768 -0.32026003 -0.16991426 -0.07191916 Ni 6.96469073 6.93653969 6.90440387 -0.01929362 0.19909647 0.17185867 Ni 8.67387918 8.68017968 6.94986476 -0.56248041 -0.53055061 -0.15711491 Ni 8.65385097 6.96369600 8.65781946 -0.33890215 -0.00131497 -0.40290496 Ni 6.90078362 8.65239634 8.65294519 0.25709817 -0.28217734 -0.34579451