108 Lattice="10.752699151866175 0.0 0.0 0.0 10.752699151866175 0.0 0.0 0.0 10.752699151866175" Properties=species:S:1:pos:R:3:forces:R:3 energy=-389.58127731658556 stress="-0.007594455756622099 0.00014385978026132965 -0.000733040391083419 0.00014385978026132965 -0.0077320890738954255 6.30350276849513e-06 -0.000733040391083419 6.30350276849513e-06 -0.007671638521562394" free_energy=-389.58127731658556 pbc="F F F" Fe 0.02810103 0.03193448 0.01275310 0.11938913 0.10715378 0.16947096 Fe 1.82116135 1.77021453 0.00113391 -0.17792004 0.33069726 -0.22634503 Fe 1.82137829 0.02205801 1.79270117 -0.29016681 -0.34556331 0.12414134 Fe 0.00987997 1.78884755 1.82202500 -0.13787891 0.13759265 -0.30575650 Fe 3.55765659 0.00080854 0.01971374 0.19499201 -0.13738361 -0.25549199 Fe 5.39209786 1.79991811 0.01721501 -0.25217136 0.25101384 -0.37309260 Fe 5.34398684 0.03338706 1.76352756 0.04688835 -0.40482690 0.38014131 Fe 3.57397035 1.76502071 1.77887525 0.13763654 0.55619568 0.30569680 Fe 7.12580838 0.03147018 0.02550867 0.13352549 -0.26721560 -0.14822723 Fe 8.91865025 1.77855854 0.02176626 0.12267207 0.05119411 -0.16695096 Fe 8.93272545 0.02613363 1.81869994 -0.00796785 -0.12075474 -0.02528826 Fe 7.15084498 1.78807339 1.76873196 0.14637043 0.16963159 0.36618420 Fe 0.05156529 3.61956885 0.02227338 -0.11281217 -0.27997573 -0.18522720 Fe 1.81650863 5.39901902 0.00725002 0.05764918 -0.18957625 -0.31732145 Fe 1.79031392 3.58246128 1.78097314 0.29242076 -0.23069263 0.10871041 Fe 0.02323189 5.35525767 1.77860155 -0.27147248 0.21056916 0.20289167 Fe 3.60679318 3.60634675 0.02505944 -0.04615188 -0.23841634 -0.21590036 Fe 5.39117766 5.35058962 0.03526527 -0.11409530 0.16550272 -0.30125252 Fe 5.42427821 3.56291821 1.83720107 -0.30078285 0.20488659 -0.24792296 Fe 3.58751238 5.34330954 1.80023189 0.26921820 0.21482977 0.10204732 Fe 7.18541437 3.61687856 0.01402666 -0.18555157 -0.28981895 -0.29328042 Fe 8.95299085 5.34240589 0.02388416 0.14183837 0.21459439 -0.13056611 Fe 8.96535012 3.55186927 1.77567578 0.11933033 0.14170172 0.26057082 Fe 7.16374924 5.40526617 1.75652530 0.11716066 -0.18747421 0.66207620 Fe 0.01537472 7.13611120 0.03303113 0.02155923 0.17950121 -0.06982213 Fe 1.82267400 8.97838156 0.00990411 -0.00010959 -0.21118725 -0.04081471 Fe 1.81237042 7.14060309 1.77645889 -0.12211061 0.15372335 0.20039100 Fe 0.04637216 8.98483669 1.75779318 -0.03223034 -0.15079950 0.08871595 Fe 3.59557462 7.14438299 0.01143282 0.08163192 0.06611272 -0.20258373 Fe 5.36294861 8.93991000 0.00605988 0.02931021 0.06441394 0.11509757 Fe 5.38424359 7.18122027 1.79802660 -0.16380321 -0.15082339 0.30269500 Fe 3.55549895 8.93661093 1.80607581 0.19616329 0.25829927 0.00361092 Fe 7.15471713 7.18169460 0.03062198 0.15496687 -0.00849044 -0.36012652 Fe 8.93966184 8.97242615 0.02262476 -0.16711616 -0.21131911 0.19364221 Fe 8.98657810 7.14599569 1.78492958 0.15899538 0.12393295 0.07483278 Fe 7.19749042 8.93227188 1.83547281 -0.17323756 0.30177192 -0.14802644 Fe 0.00276819 0.03600637 3.56231499 0.01847994 -0.15466000 0.12581845 Fe 1.79418656 1.79978922 3.60074459 0.10999285 0.13933218 -0.06437181 Fe 1.75260483 0.02299701 5.41117453 0.28002386 -0.35690937 -0.36236727 Fe 0.01254729 1.78294950 5.38624756 -0.28253830 0.34102023 -0.08017573 Fe 3.55534447 0.00769175 3.59868976 0.25585354 -0.07817965 0.18188013 Fe 5.40079542 1.81875043 3.56609493 -0.26370899 -0.25153807 0.30280368 Fe 5.40901496 0.00033951 5.39661673 -0.32360997 -0.12266015 -0.16304396 Fe 3.57300378 1.82264952 5.40476001 0.21418005 -0.29825727 -0.43739261 Fe 7.12930884 0.03089389 3.58978252 0.10670915 -0.32124976 -0.08413848 Fe 8.93506317 1.78463929 3.58127455 0.19360400 0.24671265 0.05884007 Fe 8.98741612 0.03055471 5.34188890 -0.12950085 -0.09863074 0.13065762 Fe 7.17595748 1.76749329 5.41210823 -0.11774429 0.29922034 -0.19816651 Fe 0.00102579 3.60413514 3.54878031 -0.15123227 -0.17660407 0.29387194 Fe 1.83150774 5.33023377 3.55123220 -0.18815113 0.35032042 0.40428743 Fe 1.82033647 3.57557801 5.38250023 -0.11393957 0.21258098 0.02149838 Fe 0.02251445 5.35055336 5.36685471 -0.13700497 0.09986632 -0.06285664 Fe 3.60712161 3.59039072 3.60349405 -0.20892686 -0.19885738 -0.24358221 Fe 5.38460441 5.34894845 3.59764397 0.08048932 0.44536884 -0.16159154 Fe 5.35142070 3.58074044 5.34066074 0.32100462 -0.03028948 0.54319394 Fe 3.61823259 5.40954266 5.40843077 -0.40829848 -0.26740472 -0.22640028 Fe 7.19850032 3.60352417 3.61229084 -0.13271898 -0.19813662 -0.25512610 Fe 8.97870141 5.35660621 3.58230833 0.12350119 0.07570169 -0.10101008 Fe 8.93256329 3.61152483 5.39834518 0.43533763 -0.41834857 -0.06831904 Fe 7.17801273 5.34505887 5.39245323 -0.38513137 0.34540541 -0.05567643 Fe 0.01013529 7.16806858 3.56951532 -0.14966896 -0.16360734 -0.07172724 Fe 1.76136854 8.94881019 3.57308619 0.16132236 0.26334836 0.08603919 Fe 1.77236346 7.19040597 5.36523102 0.28609448 -0.32142589 -0.11712286 Fe 0.00327498 8.93225974 5.40499123 -0.12136428 0.22294395 -0.22010924 Fe 3.55633546 7.17011182 3.59125941 0.16565306 -0.17868358 -0.08289145 Fe 5.35620935 8.96979236 3.60524236 0.10636869 0.15500094 -0.32450616 Fe 5.35195950 7.18669803 5.34872743 0.31901710 -0.15799095 0.11250609 Fe 3.60765076 8.98071703 5.35982257 -0.29111694 0.18966838 0.09224740 Fe 7.21093122 7.18299307 3.60352065 -0.32809483 -0.24903433 -0.08828291 Fe 8.99249029 8.98727367 3.57052265 -0.06856836 -0.15542359 0.13550819 Fe 8.94298764 7.16155065 5.36194854 0.23168710 0.08869497 0.11773300 Fe 7.13478469 8.99370252 5.36258417 0.19203481 0.06676472 0.09762882 Fe 0.02414702 0.02564937 7.17549371 -0.20121640 -0.15752199 -0.01884895 Fe 1.82214043 1.77962353 7.15888027 -0.27841776 0.34166367 0.20249487 Fe 1.79598277 0.00425002 8.93856521 0.07710527 -0.03470551 0.04443815 Fe 0.00311755 1.78104884 8.92560362 0.08680895 0.15075276 0.09398062 Fe 3.57525201 0.02438290 7.13474215 0.09386496 -0.43764295 0.13632946 Fe 5.34146322 1.77987335 7.17213546 0.35177671 0.15228601 -0.02538005 Fe 5.38571928 0.00770852 8.93296018 -0.08206729 0.04108144 0.08792206 Fe 3.56621988 1.78588170 8.95653343 0.07813453 0.05423364 0.32178381 Fe 7.15843320 0.00494510 7.18804491 0.23202012 -0.17335675 -0.02576677 Fe 8.96939574 1.76963148 7.17774081 0.21168459 0.03440192 -0.07197174 Fe 8.93413663 0.02580526 8.99597435 -0.14430324 0.11873649 -0.17397033 Fe 7.19670786 1.82432792 8.97018334 -0.31487010 -0.18104703 0.16512083 Fe 0.02530318 3.58541078 7.18344560 -0.17340271 0.05587581 -0.12150257 Fe 1.79689104 5.40492641 7.16121156 0.01828850 -0.23644784 -0.10413949 Fe 1.77754281 3.61519414 8.96178704 0.10348571 -0.16780319 0.14897758 Fe 0.01388590 5.40848039 8.97967172 -0.09465064 -0.09237884 -0.14467830 Fe 3.59708326 3.55474437 7.19595952 -0.16210607 0.40497813 -0.29460530 Fe 5.35385548 5.42129407 7.16767738 0.25560808 -0.34412034 -0.18272798 Fe 5.37064724 3.60463877 8.92710445 0.03505414 -0.14264668 0.34992819 Fe 3.58141579 5.37408052 8.92693494 -0.10278627 0.04811007 0.31085173 Fe 7.15772685 3.54461761 7.17219280 -0.18771474 0.27420142 -0.10019500 Fe 8.93828591 5.35344392 7.15353601 0.18698540 0.28248908 0.26277491 Fe 8.96365292 3.57177314 8.93451320 0.04911898 0.13527945 0.03856586 Fe 7.15139937 5.37076224 8.96744178 0.13995939 0.08265614 0.01767002 Fe 0.01119693 7.18225837 7.13554366 -0.28676129 -0.16344144 0.33309366 Fe 1.80062086 8.94603553 7.16008930 -0.06904045 0.32445412 0.14990488 Fe 1.77125973 7.14740139 8.95687332 0.13746304 0.23404809 0.19480216 Fe 0.00859808 8.95469767 8.98730641 0.26784889 -0.27984040 -0.33828402 Fe 3.55891237 7.19686591 7.15431583 0.08378240 -0.17523884 -0.04138297 Fe 5.35794669 8.93574544 7.19622560 0.12010851 0.27601851 -0.26502952 Fe 5.34260962 7.14704513 8.96205382 0.24316417 0.05076066 0.24965118 Fe 3.59841046 8.92521140 8.94567120 -0.21372466 0.12916860 0.18190126 Fe 7.14843985 7.17165284 7.14890498 0.22548646 0.09481859 0.13547639 Fe 8.97991192 8.98275372 7.11981849 -0.32370595 -0.27625822 0.13403345 Fe 8.96700256 7.18402189 8.96613747 -0.29150425 -0.01897975 -0.34614766 Fe 7.14192464 8.96839108 8.95539664 0.14234886 -0.22764436 -0.18764553