108 Lattice="10.730028469937752 0.0 0.0 0.0 10.730028469937752 0.0 0.0 0.0 10.730028469937752" Properties=species:S:1:pos:R:3:forces:R:3 energy=-363.1594015735741 stress="-0.005842022492722675 0.0003894722743734587 0.000305191294981843 0.0003894722743734587 -0.00616463569965234 -0.0005962879337439675 0.000305191294981843 -0.0005962879337439675 -0.006237485282387382" free_energy=-363.1594015735741 pbc="F F F" Fe 0.01049644 0.00059898 0.00478138 0.30214521 0.34969417 0.35692415 Fe 1.79987781 1.75606514 0.01046235 -0.12145804 0.08330853 -0.17470130 Fe 1.75968405 0.00736485 1.81192009 -0.02512409 -0.19581507 -0.27370269 Fe 0.00724681 1.82045964 1.78062903 -0.09519301 -0.30071780 -0.08671520 Fe 3.61057161 0.02809804 0.00356685 -0.11257631 -0.07256570 0.18878173 Fe 5.34772145 1.77940191 0.02469558 0.22179085 0.06824556 -0.33408639 Fe 5.39225592 0.00752327 1.81308061 -0.15571731 -0.16721194 -0.12898900 Fe 3.58340032 1.80785524 1.76994166 -0.06031272 -0.26808189 0.09636197 Fe 7.15947382 0.00363870 0.01368084 -0.06213133 0.11963456 0.11512575 Fe 8.93256913 1.76655461 0.01324885 -0.17503730 0.04748808 0.15720403 Fe 8.91168334 0.00074656 1.79788327 -0.11146827 0.08713675 -0.06089917 Fe 7.13606104 1.79799421 1.77606995 0.11584398 0.04859839 0.07240230 Fe 0.02839323 3.58333908 0.01661217 0.13410129 -0.06289147 -0.00242584 Fe 1.80916126 5.36721343 0.00433631 -0.14298008 0.24446416 -0.25833326 Fe 1.83174064 3.60679879 1.77662388 -0.30979615 -0.17363664 0.11165594 Fe 0.00169884 5.36758359 1.75684986 -0.10073278 0.01259169 0.12013130 Fe 3.59790232 3.60461073 0.01914845 -0.18357156 -0.28115130 -0.47922554 Fe 5.35040396 5.33471610 0.02567220 0.13944109 0.30995387 -0.42554030 Fe 5.34600490 3.58958446 1.77961733 0.24681753 -0.05915623 0.20425494 Fe 3.57267822 5.37777247 1.76021060 -0.01055475 0.13718255 0.33804050 Fe 7.14095515 3.61192422 0.02886216 0.22092439 -0.17526357 -0.30367590 Fe 8.97254487 5.39797083 0.02598940 -0.05972172 -0.11554771 -0.07445598 Fe 8.96051301 3.57451820 1.76267604 0.08378576 0.04187512 0.06304057 Fe 7.17222885 5.38809803 1.76978599 -0.08674431 -0.21407911 0.33903880 Fe 0.00511657 7.15681817 0.01013687 0.20822236 -0.03345143 0.10764758 Fe 1.79046537 8.92395755 0.02300238 0.06245549 -0.11512650 -0.01443539 Fe 1.80012204 7.18666967 1.82105371 -0.10013876 -0.34227772 -0.44864561 Fe 0.03761197 8.92832879 1.75921161 -0.03256423 -0.05355263 0.16552329 Fe 3.61115022 7.17124217 0.01267245 -0.12035893 0.00704925 -0.29482528 Fe 5.37295712 8.97394589 0.03403828 0.10700472 -0.15999182 0.04522333 Fe 5.38749748 7.13752376 1.77309191 -0.03346728 0.12885459 0.18927278 Fe 3.58499997 8.92272566 1.77793422 0.08498656 0.27908770 0.16475698 Fe 7.16602139 7.13392144 0.00074957 -0.09728668 0.20067489 -0.31838006 Fe 8.92525466 8.90686615 0.02796991 -0.26855255 -0.28010429 0.25756286 Fe 8.92705024 7.12619140 1.77541539 0.23144915 0.35619837 0.23001249 Fe 7.15052581 8.93613184 1.79441620 0.16921820 0.08509375 -0.06824081 Fe 0.01210215 0.00313436 3.60584313 0.09588642 0.12373164 -0.06332273 Fe 1.81786798 1.76895205 3.57945524 -0.13017752 0.05482403 -0.13473689 Fe 1.79812462 0.01953588 5.39406654 -0.13774694 -0.45340286 -0.29943187 Fe 0.00738426 1.78126688 5.34070208 -0.23319304 0.01323792 0.18016860 Fe 3.56429964 0.00361879 3.54755439 0.11499058 -0.20294159 0.09176169 Fe 5.33392433 1.82279027 3.61141588 0.12406556 -0.21556449 -0.20897485 Fe 5.39956895 0.01212429 5.32918800 -0.24651111 -0.22994714 0.18341281 Fe 3.54273008 1.75991069 5.39833217 0.40758840 0.11712865 -0.23949784 Fe 7.13414723 0.01658524 3.56221182 0.22301500 -0.11212819 0.01667707 Fe 8.94804714 1.78354114 3.54208116 0.07142438 0.02050241 0.11368461 Fe 8.90892031 0.00696252 5.34608729 -0.11396746 0.10907234 0.05535174 Fe 7.15137140 1.77545059 5.39002437 0.07282047 0.09234142 -0.23728653 Fe 0.03496206 3.52697313 3.57230688 -0.19517817 0.29093670 -0.08300815 Fe 1.75924615 5.39546656 3.59122767 0.12564770 -0.36041509 -0.14592714 Fe 1.79844237 3.54304559 5.35332310 -0.12508496 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0.02415247 Fe 5.39272600 8.96235313 3.58324461 -0.13856583 0.11693608 -0.17889306 Fe 5.35405860 7.15575425 5.39312394 -0.01602279 -0.15530228 -0.24615054 Fe 3.59686303 8.92851416 5.30477325 -0.02521281 0.30791615 0.17365922 Fe 7.11445551 7.16180408 3.62735579 0.20556754 -0.17777030 -0.22712598 Fe 8.92559203 8.93249656 3.58185837 -0.14814468 -0.14880240 -0.08957025 Fe 8.95921205 7.15961995 5.35007112 0.09692106 0.10529796 0.03832217 Fe 7.14016006 8.93728972 5.36719499 0.25374174 0.26969497 0.11537318 Fe 0.02119079 0.01065734 7.11849432 0.01896742 0.02113363 0.15516558 Fe 1.77139736 1.75749452 7.14553410 -0.12412615 0.33687866 0.29709761 Fe 1.81855701 0.02078272 8.93669269 -0.17852203 0.01188755 -0.08955846 Fe 0.00625364 1.76782268 8.92107033 0.21587263 0.04679830 -0.12810127 Fe 3.55228485 0.01944436 7.15332260 0.28191802 -0.33469770 0.18352214 Fe 5.35863716 1.77432558 7.19015834 -0.19891680 0.04427924 -0.15088227 Fe 5.32557096 0.00334072 8.96814512 -0.01361915 0.09507126 -0.13869027 Fe 3.55217723 1.79228193 8.97151176 0.10294612 0.03394879 0.09575083 Fe 7.13242757 0.02869611 7.16849549 0.23525214 -0.46100208 0.11513687 Fe 8.91258972 1.80931697 7.14641580 0.38923304 -0.30069077 0.11204715 Fe 8.97679120 0.00451198 8.96570514 -0.43260343 0.44231923 -0.46697778 Fe 7.15261560 1.75509798 8.90803779 0.17507815 0.07773562 0.45899747 Fe 0.02062297 3.58724647 7.17435428 -0.15479372 -0.29787905 -0.04063378 Fe 1.76138180 5.38507996 7.13460836 0.31539077 -0.07342184 0.23391954 Fe 1.81716287 3.60627286 8.94228407 -0.12863395 -0.11140988 0.15251028 Fe 0.01613288 5.33246881 8.92693442 -0.00094700 0.19260950 -0.03670586 Fe 3.54541011 3.54449468 7.13763033 0.11269831 0.11133712 0.20132732 Fe 5.33252620 5.34011659 7.13060726 0.09740657 0.14534161 0.16719908 Fe 5.37754675 3.59504894 8.93580167 -0.11733342 -0.09981984 0.17404213 Fe 3.58304996 5.40646640 8.93817934 0.03202529 -0.07849386 0.05340053 Fe 7.14246922 3.56190370 7.14516177 0.16571434 0.09329215 0.24397567 Fe 8.93065759 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8.96644718 0.12437837 -0.23085087 -0.31869405