4000 Lattice="34.89277749394721 0.0 0.0 0.0 34.89277749394721 0.0 0.0 0.0 34.89277749394721" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12742.000445764692 stress="-247.50768119155998 -31.427562319783902 -29.76061714038144 -31.427562319783902 -372.256877196452 24.006690072127924 -29.76061714038144 24.006690072127924 -306.44263178104495" pbc="F F F" Fe -0.02466002 0.04952131 0.01548640 0.03149164 -0.11766519 0.04130070 Fe 1.71889911 1.72695365 0.02738563 1.21581590 1.96589915 1.36636366 Fe 1.69494952 0.04352856 1.75628617 0.94217210 -0.40200659 -0.20142056 Fe -0.02698413 1.75188856 1.73437311 1.23190261 1.67460667 0.48199251 Fe 3.46712512 -0.01074672 0.03566071 -0.45086428 0.30879777 -0.19975884 Fe 5.26839219 1.73911776 0.04600675 -1.04331933 0.88274146 -1.30476945 C 5.18935929 0.02881083 1.72944677 1.14300024 -2.20290073 -0.95376142 C 3.53991726 1.71797244 1.77499982 -1.65464643 -1.03712355 -2.32977958 Fe 7.00858715 -0.02598188 -0.02811173 -0.82390380 1.13813650 1.67900624 Fe 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24.42399666 0.69295152 -1.25818260 -0.44687529 C 15.66446077 5.25996757 24.42264923 0.90533492 -2.31923036 1.69270451 Fe 15.66977164 3.47254807 26.19093896 0.67173376 0.12235855 -1.84838595 Fe 13.95302975 5.24780156 26.14973598 -1.76320439 -0.53655281 -0.47385604 C 17.45852167 3.47542802 24.48390181 -2.33533014 0.08758372 -1.55284961 C 19.20383479 5.23075440 24.42866275 -0.08404699 -0.65739867 1.92600727 C 19.17293514 3.45972652 26.20381880 1.84731647 1.39683379 -1.46858664 Fe 17.41295778 5.26330976 26.20158616 1.96453386 -0.66617494 -2.12359000 Fe 20.96480333 3.51647853 24.39864065 -0.19874438 -0.68946309 1.86759489 Fe 22.65885042 5.22816176 24.39558565 1.63208898 1.05098916 2.33968244 C 22.69914612 3.45610233 26.16775090 -2.60431630 2.06045515 -0.86997512 Fe 20.90506352 5.21397938 26.18881737 1.47764832 1.02953072 -0.87750187 C 24.39180028 3.45821725 24.42897102 1.38093748 0.87249455 -1.67269041 C 26.15806375 5.25642509 24.41326057 -0.80191350 -1.81786925 -1.10661971 Fe 26.20074094 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31.40912665 -0.76625694 -1.40530901 2.10271676 Fe 19.17272200 24.39818909 33.10636719 0.87267422 0.84525868 0.41308988 Fe 17.41746008 26.20409427 33.17880999 0.75837516 -0.86741956 -1.39768669 C 20.90612265 24.43226432 31.37198478 2.17390502 1.57546281 1.58466745 Fe 22.69118733 26.18818116 31.41813713 -0.70628773 -1.02494863 -0.85125658 Fe 22.65170084 24.38624017 33.14547773 1.01598610 -0.31576453 -1.17838359 Fe 20.96514894 26.20414303 33.17119800 -1.04254483 -1.46497000 -1.38885850 C 24.42653539 24.44364658 31.38470819 -2.92384065 -0.49306257 -1.18516118 C 26.18387702 26.19260873 31.36947073 0.07138511 -0.38270596 3.08178334 C 26.20666617 24.41656894 33.13387979 0.01189981 1.09546902 1.67754001 Fe 24.39640927 26.12254320 33.17260662 1.04342612 0.77055984 -1.65256412 Fe 27.88522756 24.39170071 31.40406929 1.54445862 1.99127502 -1.48668014 C 29.62492582 26.20349092 31.42492419 2.67608875 -3.31093021 -1.69251824 Fe 29.64706473 24.45946349 33.13961880 -0.27140816 -0.75707674 -0.51161559 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31.40410785 -1.39885200 -1.07101864 0.68843391 Fe 33.11578395 29.62682200 31.40049387 -0.87088570 2.50668209 0.60081409 C 33.18173986 27.94326392 33.12067998 -0.58987897 -1.52649408 0.86238203 C 31.39786665 29.64209992 33.17640320 -0.99597403 0.36244463 -0.27082519 Fe 0.04252383 31.43257523 31.37192239 -0.64689858 -1.72313034 1.37138972 C 1.73556958 33.11757592 31.41242744 0.97219755 1.76377465 -1.99010583 C 1.77937027 31.41590038 33.14802735 -2.11634915 0.52562245 1.30712146 Fe 0.02422097 33.17185057 33.13535023 0.53869534 -0.90362298 -0.52612229 C 3.48255402 31.39461679 31.42751408 1.20408316 1.13342468 -1.79280325 Fe 5.25689738 33.16863337 31.37990411 -0.71043635 -1.69672519 -0.02655211 Fe 5.26700337 31.39867659 33.17973393 -1.26968167 -1.24330431 -1.69812034 Fe 3.44993040 33.12815890 33.15196420 1.08005105 0.17552323 -0.38807585 C 6.97571878 31.42220068 31.41594604 -1.23207588 1.23894570 -0.23226334 C 8.69742096 33.17679195 31.39658630 -0.03536931 2.09074803 -1.77015565 C 8.76716702 31.43314316 33.17353879 -0.04140123 -0.04881348 2.13595081 C 6.98235656 33.12610181 33.14869252 -1.22039579 1.30434349 0.84078638 C 10.44307436 31.35657394 31.39623086 1.51028407 0.04820784 -1.50490688 C 12.19852027 33.14131012 31.42315884 0.38167489 1.69605116 -0.19665370 C 12.23765353 31.41165099 33.13942074 0.80782832 -0.89791291 1.29805811 C 10.52017582 33.16088990 33.14230585 0.28345467 1.61615955 1.39574995 C 13.92667218 31.43059299 31.38910960 3.41982778 -1.55766724 1.09649724 Fe 15.71360885 33.09641177 31.41145925 -0.53259053 0.37753476 -1.01028505 Fe 15.70721870 31.43068549 33.13607748 -1.02180905 -0.03459382 -0.04035157 Fe 13.94280858 33.15414906 33.17056499 -0.01997238 -0.61317235 -0.96635875 Fe 17.45429819 31.41396405 31.37240619 1.18975463 0.91358670 0.80690657 C 19.19210524 33.16870548 31.43387002 -0.28310522 -0.65312929 -0.91498255 C 19.16770366 31.37102387 33.18196663 -0.11963100 -0.40090030 -0.57428544 Fe 17.41624606 33.16063106 33.15153453 0.92366967 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33.12402913 31.41640070 1.63552496 1.68830116 -0.09045212 C 33.17185230 31.43837139 33.14112944 1.56835525 -1.35586930 0.44500255 C 31.38131902 33.15452555 33.12324790 -0.36421598 1.37337058 1.67771725