64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-72.80242991524247 stress="0.0001912144387720386 -3.449387943887475e-05 -4.480092167870687e-05 -3.449387943887475e-05 -1.925707812119391e-06 0.00021124514430901725 -4.480092167870687e-05 0.00021124514430901725 0.00019293456005494626" free_energy=-72.80242991524247 pbc="F F F" Fe 34.99727231 34.62000583 35.36106051 0.67270409 0.37052768 1.44771391 Fe 36.58129035 35.80415239 36.68399638 -7.29497584 32.03564340 -18.74948784 C 37.36560323 38.05696623 34.81129485 1.36450174 0.82251959 2.14719824 Fe 38.45452046 38.71696199 36.62170749 -4.57276664 2.33147527 -2.42195776 Fe 37.07304531 34.53680825 37.29461964 12.19597046 -33.48152435 16.55817327 Fe 38.51057749 36.36695985 39.14826452 -1.08666596 -1.35859848 -0.18670308 Fe 35.33076334 36.81728724 37.74826001 -3.93073428 1.94891578 2.82220680 C 36.24222347 39.36554298 39.35611904 0.07455931 2.08281525 1.04270284 Fe 39.95349845 35.23158498 34.82230587 -17.74783449 -11.84394809 -17.42879566 Fe 40.97270716 35.91340346 35.82675406 18.23939915 11.53793045 18.02961574 C 43.32057797 37.86075280 34.65914198 6.62685691 15.06464886 10.91671490 C 43.91346217 39.20853991 35.63582638 -6.62685691 -15.06464886 -10.91671490 Fe 42.61457661 34.75009873 37.76512521 -0.55700804 0.40662552 -0.59225156 C 44.13885400 36.96414583 38.96720985 -1.89493455 1.68538439 3.25994658 Fe 40.15948945 37.65614677 37.34537630 1.75308281 -0.63043082 -0.29095663 Fe 41.45774368 38.52841774 39.18037883 -1.19043331 3.92599360 -4.29906732 C 34.84997499 40.43269114 34.96968962 0.00000000 0.00000000 0.00000000 C 35.80310611 41.48591902 36.41819221 4.68893680 -0.25315418 10.14287541 Fe 37.91125254 42.07401960 35.33327232 -2.31464794 -10.42516430 0.93366094 Fe 38.13131663 43.82113988 35.97620948 0.97477362 7.82912031 3.04658558 C 37.01194530 40.46209557 37.18270701 -6.00796630 7.60165717 -5.68404508 Fe 37.98748074 40.63666990 39.22333678 0.65911018 -1.99804839 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41.22353837 5.23200388 -2.93055712 5.26884794 C 37.47214569 35.40189209 42.61575364 13.22837041 9.66838500 14.42006608 C 38.59558632 36.22299524 43.84040093 -13.22837041 -9.66838500 -14.42006608 C 35.27898005 36.92951889 42.89478270 10.82402558 -0.47445448 -14.48588753 C 35.88020534 38.53972573 43.87948455 0.98778800 -0.76434424 -2.68008391 C 40.21947204 35.29771604 39.83343940 3.92747954 13.27390061 10.37308829 C 40.81330551 36.52388729 40.99051197 -11.40723498 -2.87050023 -4.26205210 Fe 42.51745485 37.42613853 40.48164400 -15.18174939 -14.94083441 -0.99312294 Fe 43.86202501 38.29556655 40.89160428 16.77171602 9.34702262 4.58045036 Fe 42.67942989 34.89744202 43.18488731 -4.96939184 -6.99231335 -0.64839150 Fe 43.75073132 36.41426256 43.31362530 4.63116864 8.54303663 -1.78153049 C 39.83859636 37.56507203 42.00117672 2.35766157 -1.42382687 -8.66850480 Fe 40.79433629 39.18048757 43.65347812 -4.84276369 -3.87069153 0.80613524 Fe 34.79707065 39.90154992 40.17587127 -0.07697929 -1.85842724 -4.19267559 C 35.53129218 40.35337130 41.39181512 3.39894442 0.40695897 4.36487351 Fe 37.18942305 42.63970059 39.61062386 2.84068055 2.23555260 0.95243132 C 38.64881430 43.98562424 40.76968696 -1.56080199 -1.43246554 -1.31154362 Fe 37.13352344 39.44309765 42.87481214 -1.18155038 -0.53019455 -1.45018523 Fe 38.74810935 41.82168572 43.68655909 -1.73570540 1.30029313 -2.58384232 Fe 34.71294649 43.12992046 43.01246465 2.75370672 -0.48523736 0.87828676 C 36.76795619 42.77351814 43.67377042 -0.32134157 -0.73454734 -0.90876200 C 39.88439188 40.67792644 40.42662898 0.00140971 0.40137295 -0.13667335 Fe 41.50449630 41.02914365 41.27764052 -13.21005275 3.76507987 -7.36544591 C 41.81928667 42.27014051 40.73952932 2.62329763 10.59934451 -4.67573868 C 44.01744576 43.88058344 41.11990261 0.00000000 0.00000000 0.00000000 Fe 42.11288736 39.85610097 42.32157351 12.99427429 -10.94756066 9.47948408 C 43.57769953 41.31646732 43.72600027 -2.30421024 -2.27664733 -2.20562717 C 39.66278676 42.69586713 41.98922932 0.43962899 -2.75941760 1.62322896 C 40.67081992 43.93814584 43.73598069 0.00000000 0.00000000 0.00000000