108 Lattice="10.396141321066073 0.0 0.0 0.0 10.396141321066073 0.0 0.0 0.0 10.396141321066073" Properties=species:S:1:pos:R:3:forces:R:3 energy=-399.17383213127846 stress="-0.0077866709861536855 -0.0007544868690360943 0.0009673288377432757 -0.0007544868690360943 -0.00787455690307865 -4.174503988853009e-05 0.0009673288377432757 -4.174503988853009e-05 -0.007637207148775525" free_energy=-399.17383213127846 pbc="F F F" Ni 0.01473725 0.00799899 0.01737844 0.68311445 0.65065855 0.68271718 Ni 1.70075164 1.75137235 0.03116549 0.16880405 -0.29785340 -0.90560354 Ni 1.74801323 0.00609334 1.73839532 -0.52011866 -0.63313263 -0.19251587 Ni 0.02234793 1.76379231 1.69842903 -0.77399703 -0.38831332 0.27079231 Ni 3.43974795 0.01746875 0.02126695 -0.07341956 0.01477610 -0.08079503 Ni 5.20158686 1.69863737 0.02195069 0.01661848 0.38600025 -0.72340240 Ni 5.19239863 0.02121582 1.70702115 0.21723653 -0.72313228 0.38703976 Ni 3.44610487 1.70327440 1.70631469 0.07213280 0.62135183 0.24787140 Ni 6.91775572 0.02869301 0.00469146 0.19579924 0.22638679 0.44456242 Ni 8.64155234 1.68862320 0.03139330 -0.36706390 0.19150134 0.39927960 Ni 8.67213064 0.01994137 1.75880459 -0.54392789 0.41696675 -0.03427271 Ni 6.89949011 1.75864800 1.76584720 0.36635740 -0.35417624 -0.24290882 Ni 0.02769960 3.47293443 0.00964551 -0.05653279 0.16338620 0.00660517 Ni 1.76718091 5.17907295 0.03450916 -0.54749404 0.36062536 -0.85792976 Ni 1.72437748 3.47550956 1.70842637 0.23572202 -0.06781716 0.60775511 Ni 0.01842955 5.20745833 1.76496643 -0.53942886 -0.07781829 -0.30225066 Ni 3.45803808 3.48106873 0.01549906 0.13077674 -0.35680281 -0.61034318 Ni 5.19693982 5.18723926 0.03041027 0.06777773 0.13778334 -0.73839686 Ni 5.19707814 3.47937933 1.71393597 0.00285075 -0.17246880 0.26448523 Ni 3.44112300 5.22252610 1.73231131 0.42874908 -0.26758643 0.38384678 Ni 6.94429443 3.47454202 0.00553624 0.09081935 -0.21672452 -0.45964768 Ni 8.68012558 5.18392188 0.02602405 -0.33039455 0.19568864 0.24505867 Ni 8.65679619 3.46064867 1.74859681 0.57189670 -0.09928153 -0.25600505 Ni 6.93399208 5.21756864 1.73129017 0.16486169 -0.08392102 0.06110423 Ni 0.02370871 6.95533533 0.01775534 0.39179827 -0.24552256 0.39803472 Ni 1.72778718 8.63714479 0.02102722 0.11617358 -0.26755687 0.28677882 Ni 1.76457146 6.90671449 1.75000929 -0.41901914 0.31162922 -0.12719542 Ni 0.01052643 8.66570655 1.69725147 0.42209420 -0.42644830 0.17796775 Ni 3.46322287 6.91168090 0.02702772 0.03134510 0.35467979 -0.68175221 Ni 5.16519649 8.66286342 0.00184427 0.01187560 -0.17143079 0.27419807 Ni 5.22757641 6.93467703 1.71191098 -0.47886825 -0.04646339 0.22485262 Ni 3.43543095 8.66627504 1.76407960 0.21645308 0.38423577 -0.41252453 Ni 6.90134712 6.95034049 0.01322892 0.40874134 0.01556672 -0.69828506 Ni 8.63847390 8.67681060 0.00796073 -0.68389870 -0.63587074 0.63136705 Ni 8.66361699 6.97094706 1.69610413 0.34323977 -0.06933134 0.07119650 Ni 6.91585019 8.68258832 1.71924747 0.24829306 0.54068933 -0.16887322 Ni 0.02229634 0.02272179 3.47203983 0.09258241 0.15792806 -0.23254188 Ni 1.72078999 1.74212910 3.45443354 0.29630885 0.23951660 -0.10742548 Ni 1.73505055 0.01152138 5.18280231 -0.12262998 -0.61742095 0.21839459 Ni 0.02971897 1.74254253 5.17773656 -0.72704804 -0.14864610 0.38484098 Ni 3.43265538 0.02298827 3.43877000 0.28790122 -0.66913229 0.12735807 Ni 5.16440639 1.76426991 3.45241195 0.40990813 -0.19180903 0.12509825 Ni 5.22300473 0.00872458 5.16139331 -0.18338729 -0.30117862 0.21016548 Ni 3.43246120 1.70544019 5.19705602 0.13299791 0.65324040 0.13115883 Ni 6.96588326 0.01346888 3.50397723 -0.17459981 -0.33108771 -0.31931878 Ni 8.64782529 1.74240443 3.48999413 0.63669531 -0.11970354 -0.09293344 Ni 8.68355466 0.01201470 5.20058023 -0.26309682 0.27109058 0.21001351 Ni 6.95048372 1.75875692 5.26100152 -0.35977286 -0.07131888 -0.38311824 Ni 0.02476657 3.44488883 3.49555126 -0.64114665 0.30670880 -0.29402675 Ni 1.75925324 5.18868456 3.48740853 -0.17474823 -0.16752695 -0.21686180 Ni 1.70019345 3.48294111 5.23187430 0.72173408 -0.15494170 -0.22048556 Ni 0.00172807 5.25147867 5.20930520 -0.62546730 -0.25386420 -0.16866928 Ni 3.47731805 3.46419733 3.43245465 -0.43962177 -0.04997451 0.20223071 Ni 5.19896660 5.18641717 3.43956221 0.09236892 0.14271084 0.23091429 Ni 5.17574718 3.45859247 5.17323762 0.16502084 0.05200447 0.33803058 Ni 3.44628114 5.22021825 5.18455781 0.49492316 -0.27887099 0.40582322 Ni 6.96337484 3.46557635 3.45841996 -0.48941810 0.14772539 0.32760691 Ni 8.66218545 5.21892037 3.45324330 0.35773496 0.15738779 0.15506491 Ni 8.67863402 3.45547509 5.24054820 0.41319924 0.29130590 -0.17468199 Ni 6.90600872 5.21023580 5.22028552 0.18852775 -0.14595875 -0.25528089 Ni 0.02495854 6.92043777 3.43355506 -0.53927444 0.39676781 0.12933813 Ni 1.75081763 8.65689189 3.43395663 -0.41968507 0.50791277 0.17777162 Ni 1.76116661 6.92795008 5.16975410 -0.19221921 0.29223625 0.36115764 Ni 0.01546527 8.65139204 5.21094111 0.31333865 -0.32604415 -0.11514220 Ni 3.47464301 6.89693676 3.48580547 0.26730238 0.27799677 -0.28075828 Ni 5.19617409 8.64696824 3.41333846 -0.05501438 0.64310503 0.36998857 Ni 5.22165783 6.96286087 5.21756168 -0.43840609 -0.48188529 -0.13580601 Ni 3.44622197 8.68030293 5.18392574 0.17573440 0.40486361 0.12412398 Ni 6.89635125 6.94739876 3.45483717 0.53654983 -0.16757079 0.13912379 Ni 8.65571500 8.66774883 3.42786085 -0.38765437 -0.35279291 0.15031776 Ni 8.69137392 6.94958701 5.22176850 0.16453180 0.19168313 -0.15474913 Ni 6.91285521 8.64751037 5.22852290 0.61437810 0.61648227 -0.27592050 Ni 0.03200744 0.03437669 6.91640832 0.21239939 0.18634497 0.03825136 Ni 1.70336118 1.75483314 6.95332995 0.44470458 -0.23780009 -0.26395222 Ni 1.71590041 0.00504149 8.66412326 0.05131467 0.42356010 -0.43958543 Ni 0.01593148 1.76346343 8.61995691 0.19906954 -0.14467344 0.02492109 Ni 3.46605234 0.01612678 6.92294580 -0.16670945 -0.62471253 0.06994421 Ni 5.17142935 1.74201969 6.95489877 0.28275476 0.18956823 -0.50702134 Ni 5.19517823 0.04615490 8.65052600 -0.02963129 -0.12106844 -0.03295233 Ni 3.45388537 1.73260298 8.63012418 -0.17120253 -0.04288099 0.76570037 Ni 6.91555708 0.00079837 6.92684110 0.37614001 -0.38173692 0.20237009 Ni 8.68950651 1.74143265 6.94353749 0.32130628 -0.37977518 0.37990779 Ni 8.68061771 0.00863025 8.69534203 -0.88260975 0.86115354 -0.89435870 Ni 6.90166468 1.71230538 8.66972567 0.51241763 0.06144257 0.35835335 Ni 0.02918240 3.48443244 6.96899605 -0.90482663 0.01365131 -0.31012533 Ni 1.71502109 5.21631083 6.90601368 0.45423923 0.25490879 0.25242817 Ni 1.76114056 3.49811743 8.63903717 -0.13681997 -0.23031505 0.79551396 Ni 0.02845972 5.16620081 8.68142297 0.22141880 0.39507791 -0.18091208 Ni 3.47514137 3.49324074 6.94866045 -0.13021807 -0.13941017 -0.53871422 Ni 5.19819569 5.18969490 6.95491956 -0.13220515 0.11837358 -0.39769920 Ni 5.19194134 3.48425562 8.68821365 -0.02763522 -0.19385791 0.52063942 Ni 3.43246051 5.21814723 8.68467391 0.10968138 0.05406022 0.40459049 Ni 6.93837308 3.47326525 6.95769239 -0.09418172 -0.04966813 -0.09652236 Ni 8.69459370 5.22723442 6.93000023 0.26053143 -0.11782646 0.28959115 Ni 8.67282681 3.44262233 8.67660915 -0.35027576 0.02840481 -0.33241129 Ni 6.92270963 5.17470438 8.67381455 0.37021208 0.34388108 0.44716875 Ni 0.02405898 6.92385565 6.92701976 -0.54770711 0.28041752 0.36864873 Ni 1.72211012 8.65987583 6.93792638 -0.18074990 0.48416788 -0.03736258 Ni 1.75786708 6.96022684 8.66521266 -0.44044585 -0.13387660 0.48380275 Ni 0.00833080 8.63249339 8.68852013 0.71077652 -0.69583352 -0.76883008 Ni 3.49046400 6.96208374 6.95412620 -0.21641470 -0.34535770 -0.57791945 Ni 5.23959699 8.69705390 6.91401998 -0.19055203 0.39467113 0.42498265 Ni 5.16482614 6.92275206 8.66575691 0.47785836 0.25649700 0.48505776 Ni 3.45063959 8.65263534 8.61729687 0.16225879 0.16011646 0.04348980 Ni 6.92765694 6.91262330 6.92722403 0.36159317 0.36494183 0.61421708 Ni 8.68843628 8.69713718 6.95786827 -0.78964699 -0.78500189 0.12922621 Ni 8.68354900 6.90877613 8.69431666 -0.74002912 0.21592129 -0.68808737 Ni 6.91084582 8.67635570 8.69437527 0.20526947 -0.75457791 -0.69596419