108 Lattice="10.697520419638753 0.0 0.0 0.0 10.697520419638753 0.0 0.0 0.0 10.697520419638753" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.69979173532397 stress="-0.005794540184664102 -0.00018046996216670218 -0.00011419515405903933 -0.00018046996216670218 -0.005610045994807934 0.0004600414279238873 -0.00011419515405903933 0.0004600414279238873 -0.005802407867848651" free_energy=-357.69979173532397 pbc="F F F" Fe 0.03159096 0.02054100 0.02210654 0.49725954 0.50776767 0.50614460 Fe 1.80036444 1.75821760 0.02461153 -0.08870593 0.16676058 -0.56612978 Fe 1.80982140 0.02030067 1.76488698 -0.10331900 -0.75396470 0.14491874 Fe 0.03447210 1.75817397 1.81469133 -0.55178958 0.22836637 -0.12423256 Fe 3.55124018 0.00283877 0.00441406 0.08305786 0.08801298 0.04931290 Fe 5.36985945 1.77241910 0.02011143 -0.10365556 0.18741562 -0.56152022 Fe 5.37016076 0.01131064 1.75095194 -0.20954321 -0.55547598 0.30724806 Fe 3.56229484 1.76296241 1.83329331 0.09280263 0.26070933 -0.11061322 Fe 7.11643482 0.00659983 0.03031981 0.07137635 0.08188373 0.05362676 Fe 8.88614913 1.78113110 0.00214476 -0.20359683 0.15390961 0.19405788 Fe 8.94700881 0.02384306 1.75222561 -0.26971356 0.25778522 0.21795276 Fe 7.12154602 1.77782864 1.81746575 0.14435809 0.22926673 -0.02675597 Fe 0.01382240 3.55093172 0.00754960 0.12640543 -0.12692006 0.15706235 Fe 1.77311945 5.32529856 0.02519316 0.15779578 0.26515312 -0.60270178 Fe 1.82477440 3.59106706 1.77377129 -0.12135058 -0.31608903 0.44279234 Fe 0.02984628 5.34484630 1.76559226 -0.56373372 0.11845375 0.19066344 Fe 3.53824479 3.54822229 0.02092460 0.13526797 -0.07372245 -0.59570784 Fe 5.33622959 5.32845353 0.01487490 0.06303330 0.08728848 -0.50710592 Fe 5.32448967 3.54716750 1.75326763 0.17168124 -0.03814846 0.43185371 Fe 3.56893112 5.33059591 1.80040135 -0.05760717 0.21251129 0.24490194 Fe 7.12189541 3.59039060 0.01941487 0.07558606 -0.10509174 -0.45309566 Fe 8.94093135 5.36717448 0.01283685 -0.24729079 0.02228444 0.23760704 Fe 8.91391377 3.55597684 1.80579326 0.40101734 0.04099991 -0.03291750 Fe 7.11542783 5.34251365 1.79619594 -0.01952268 0.08752050 0.09303739 Fe 0.00320560 7.16071017 0.02329627 0.19799192 -0.14417797 0.17813596 Fe 1.82100192 8.89791368 0.05774593 -0.05313424 0.00719710 -0.16994367 Fe 1.79714849 7.16233552 1.78469370 -0.07746680 -0.35742771 0.11112475 Fe 0.02709560 8.91714882 1.81136429 0.07166226 -0.11004248 0.07617188 Fe 3.58732456 7.11008206 0.02739594 -0.12278591 -0.08680469 -0.56356311 Fe 5.32470699 8.94365823 0.01706252 0.08764530 -0.15756163 0.14902350 Fe 5.34155644 7.13284056 1.75791239 0.07393489 -0.11871567 0.40904798 Fe 3.54159045 8.92820731 1.77630715 0.20164694 0.54388171 0.26423821 Fe 7.13648563 7.14762996 0.02454812 0.10944145 0.03647868 -0.39926953 Fe 8.92793791 8.93625544 0.02511911 -0.68348402 -0.70762241 0.69290950 Fe 8.94802912 7.12857257 1.81635885 0.38367705 0.03208268 -0.22155232 Fe 7.12044766 8.92649829 1.81379697 0.17736337 0.45795328 -0.25673873 Fe 0.00977548 0.03087317 3.59292719 -0.01430956 -0.15290201 -0.14251739 Fe 1.77844111 1.75588306 3.56666984 0.25766541 0.54594992 0.07938333 Fe 1.78908470 0.02167748 5.33431223 0.12714760 -0.58339542 0.19826615 Fe 0.00412649 1.74919780 5.35110314 -0.44517491 0.38469405 0.19687644 Fe 3.56579109 0.02954935 3.58488257 0.06806265 -0.62731852 -0.07618596 Fe 5.35558589 1.78278732 3.57941559 0.06455616 0.31722554 -0.02957724 Fe 5.32907262 0.00708206 5.35035113 0.18253170 -0.44116725 0.08537867 Fe 3.59050303 1.79276155 5.36590161 -0.17509057 0.26913684 -0.16375418 Fe 7.11511813 0.01633026 3.54272970 0.12888995 -0.45533427 0.14395608 Fe 8.94810931 1.81745408 3.58662784 0.31154511 -0.16349838 -0.09718186 Fe 8.92721205 0.00936915 5.36926586 -0.24944404 0.18857681 -0.01048401 Fe 7.13803015 1.81060139 5.36169893 -0.21851317 -0.15234044 -0.06728696 Fe 0.03269055 3.59633759 3.58429211 -0.52298625 -0.30824796 -0.24826195 Fe 1.75334017 5.37788267 3.57047042 0.63750386 -0.04491078 -0.14919365 Fe 1.78009943 3.58841747 5.33375444 0.43448569 -0.15913215 0.06944434 Fe 0.02359899 5.32578032 5.32554858 -0.59349675 0.23100921 0.36983835 Fe 3.59703816 3.55588200 3.55508652 -0.29597387 0.00773875 0.22650055 Fe 5.32925307 5.31809038 3.55644038 0.17151359 0.26345023 0.10759893 Fe 5.34208217 3.53777951 5.39518814 0.04926501 0.22885729 -0.23760444 Fe 3.58846457 5.36592088 5.35049907 -0.03708783 -0.03552915 -0.09368558 Fe 7.12082071 3.58297977 3.57382984 -0.31543995 -0.10664279 -0.00667347 Fe 8.90696541 5.33710648 3.59467326 0.46770788 0.06220649 -0.05881926 Fe 8.91318530 3.53244358 5.36108496 0.52585460 0.17275117 -0.10268572 Fe 7.14164304 5.36363958 5.35718633 -0.50433778 -0.14460345 -0.26386436 Fe 0.01016164 7.15438387 3.59466045 -0.47955547 -0.21182801 -0.16853534 Fe 1.76880887 8.92823568 3.59356170 0.21330585 0.43454722 -0.00256397 Fe 1.79912431 7.09005481 5.38227320 0.08096735 0.03272681 -0.11123154 Fe 0.00660851 8.89678555 5.33705715 0.08751767 -0.04104644 0.16691190 Fe 3.54103041 7.15349062 3.53276442 0.22733302 -0.31143673 0.21609291 Fe 5.35578118 8.94953789 3.53921989 -0.06108011 0.26111032 0.16399488 Fe 5.39392800 7.14117335 5.33861102 -0.25500877 -0.33119552 -0.18269597 Fe 3.56160047 8.89060381 5.37233107 -0.04950052 0.45420937 -0.23902245 Fe 7.15631463 7.14542334 3.53284138 -0.41656075 -0.30934052 0.09866944 Fe 8.91309115 8.89034990 3.59988230 0.00345732 0.04021068 -0.11092913 Fe 8.87999561 7.15076018 5.38055551 0.75373899 -0.25224138 -0.09958037 Fe 7.16221901 8.89509523 5.37561704 -0.29987591 0.67202278 -0.13076975 Fe 0.01756362 0.00793123 7.15273995 0.29480304 0.26613418 -0.06287059 Fe 1.83875703 1.80587046 7.10196053 -0.36240902 -0.05667434 0.12196876 Fe 1.78221616 0.03483133 8.94631464 0.08752034 0.27941108 -0.27231451 Fe 0.00524693 1.80910125 8.92132026 0.25964898 0.02111832 -0.26807358 Fe 3.54821307 0.00090472 7.14315299 -0.08842367 -0.55348530 -0.12451589 Fe 5.32095506 1.77066470 7.15037210 0.22581142 0.34847636 -0.26520028 Fe 5.33655189 0.03389126 8.88800452 0.02440832 -0.14147766 0.12290545 Fe 3.59297966 1.80002162 8.89976570 -0.22312259 0.19180413 0.60569505 Fe 7.11539966 0.03495014 7.15120005 0.18538687 -0.50700346 -0.13309165 Fe 8.93875807 1.80406296 7.11102703 0.38230720 -0.10902577 0.23163978 Fe 8.93214577 0.02220925 8.88483524 -0.59953502 0.62767472 -0.60847688 Fe 7.12135172 1.77500959 8.91868369 0.17829771 0.13690201 0.39167465 Fe 0.00426496 3.58216031 7.15993591 -0.45267854 -0.12676593 -0.32533503 Fe 1.81702739 5.34681960 7.15936421 -0.01585583 0.13097820 -0.42836546 Fe 1.76409872 3.59507329 8.88221923 0.24979764 -0.31372145 0.69363715 Fe 0.04700548 5.35495906 8.92812501 -0.12698208 0.07895174 -0.03546780 Fe 3.55133570 3.57076449 7.12862277 0.14774882 0.03050367 -0.24535727 Fe 5.32915526 5.34413478 7.14346181 0.10206924 0.20149674 -0.32660437 Fe 5.38370265 3.59241105 8.92855881 -0.04096008 -0.17959809 0.35999520 Fe 3.57907376 5.32885139 8.89581477 0.00904759 0.13244247 0.60198025 Fe 7.12220941 3.58869149 7.09933381 -0.13324379 -0.24350537 0.20187843 Fe 8.88292334 5.31682370 7.09830416 0.68112158 0.05412820 0.16758589 Fe 8.93030907 3.53162032 8.93739664 -0.28037543 0.02131640 -0.26316404 Fe 7.13060855 5.34970715 8.90560699 0.02415170 0.11824121 0.44856964 Fe 0.01774467 7.14861619 7.14733255 -0.46705482 -0.06767119 0.02291370 Fe 1.78641776 8.89811998 7.14025750 -0.13199035 0.53619743 0.07766805 Fe 1.79050937 7.09994670 8.94813156 -0.03251425 0.18260656 0.42616684 Fe 0.00368397 8.93712393 8.91292110 0.66572681 -0.67786288 -0.63116498 Fe 3.56078600 7.15815363 7.13467010 0.14620543 -0.42199048 -0.14264590 Fe 5.33521415 8.93062563 7.07834704 0.20443822 0.38496325 0.20033982 Fe 5.32568323 7.15819393 8.94345840 0.28006903 -0.22183098 0.25492236 Fe 3.56957552 8.85675502 8.91125026 -0.09638309 0.16833842 0.00788106 Fe 7.13624193 7.10380031 7.09999173 -0.19718940 0.16637467 0.51197423 Fe 8.92524170 8.94221281 7.10140248 -0.21206446 -0.24661481 0.11278931 Fe 8.94552633 7.10187023 8.89352028 -0.33531655 -0.00857777 -0.34926101 Fe 7.13424375 8.91213496 8.90042869 -0.05837937 -0.35848437 -0.37006767