108 Lattice="10.450450370540384 0.0 0.0 0.0 10.450450370540384 0.0 0.0 0.0 10.450450370540384" Properties=species:S:1:pos:R:3:forces:R:3 energy=-317.3491526246532 stress="-0.01150198097395477 0.002511364078741285 -0.012641069810375405 0.002511364078741285 -0.022094580766471382 -0.0031957003044739943 -0.012641069810375405 -0.0031957003044739943 -0.01431985874166204" pbc="F F F" Fe 0.01431002 0.04870645 0.03314144 -0.04902790 0.20767674 0.30651462 C 1.76728608 1.74298944 0.02973430 -0.79164497 -0.09905665 -1.15372645 Fe 1.75299303 0.00484425 1.71055125 0.35969234 -0.04858057 0.60971595 Fe 0.02882659 1.72507479 1.74808252 0.06159744 0.82271577 -0.34718469 C 3.53559390 0.00610060 0.00869682 -0.54861151 -1.35222120 -0.83420818 Fe 5.20485725 1.77054591 0.00249080 1.65379026 -0.53074219 0.67165700 C 5.24891622 0.00194553 1.71071712 -0.85617901 -1.48350911 0.79259896 C 3.46585146 1.77524969 1.74329722 -0.43082993 -1.67753421 0.84994945 C 6.97795909 0.03352703 0.02412708 0.24166145 -0.36141634 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6.96784058 5.21040214 1.72003245 -0.90783146 1.07461567 2.24299630 C 0.03431891 6.94608717 0.01403678 -1.51029384 1.24027454 -0.40873114 Fe 1.72516361 8.67927931 0.02854682 0.69820881 1.02808587 -0.28103067 C 1.72602996 6.99755703 1.70769309 0.64181744 -1.43106675 2.82822373 Fe 0.00801100 8.71882810 1.77006156 0.40776683 -0.51280362 -0.37174216 Fe 3.48320596 6.98948508 0.03878990 0.78298444 -0.90978315 -0.55598754 Fe 5.21668958 8.72244822 0.00721497 -0.29037989 -0.65959859 0.75405968 Fe 5.23202906 6.99834318 1.75836698 0.59603542 -2.53849620 -1.11114930 C 3.45699172 8.67027528 1.77943064 1.60868456 1.59244920 -1.15964218 C 6.99938942 6.97581364 0.01281106 -1.39575648 0.63663568 -0.86923331 C 8.70451126 8.73271583 0.01003582 0.58367004 1.11499561 -0.54569928 C 8.67653466 6.94179963 1.72511847 0.38171258 0.96859068 0.77539350 Fe 6.94845741 8.71921635 1.71292638 1.39599695 -0.09546973 1.12416971 C 0.01551299 0.03259185 3.46258448 0.06303447 -0.89588022 -0.93085298 Fe 1.77209495 1.76481755 3.51730977 -0.85734801 -0.86323054 -0.51801510 C 1.74893875 0.02658598 5.25723060 1.33265867 -1.61884913 -0.81286825 C 0.03318770 1.73315941 5.22097921 -0.92085605 0.41093610 0.22519712 Fe 3.47453683 0.01323283 3.46121767 0.95740569 0.91800836 0.79112034 C 5.24368376 1.72240240 3.49534092 -1.09479038 1.70835005 1.55930656 C 5.25143909 0.03122867 5.25483739 -1.30145483 -2.31395291 -1.42630888 C 3.47664910 1.74095755 5.21436892 0.45225625 0.55498514 -0.21926521 Fe 6.94882872 0.01707727 3.45246087 0.18083855 -1.42175091 1.30039400 Fe 8.70136912 1.71608002 3.49868465 0.06842188 1.43632536 -0.30171560 Fe 8.67156600 0.00756541 5.23570916 0.08161102 -0.17493000 -0.31291918 Fe 6.94214885 1.74631210 5.24194584 1.51990665 1.03508500 -0.84679343 C 0.01707427 3.47624262 3.47414904 0.92365647 0.28279306 0.56045214 Fe 1.77475801 5.23756916 3.50553397 -0.61129385 0.10087153 -2.16396174 Fe 1.76806768 3.51083687 5.24262390 -1.49002710 -1.38518730 -0.79833410 Fe 0.03531893 5.20971929 5.20088708 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0.03495142 0.50122641 C 5.19890778 6.96019279 5.24939897 1.09782124 1.64300795 -1.35376150 C 3.49029446 8.70987670 5.21216896 -0.28684009 -0.23422126 1.94386144 Fe 6.94156827 6.98867951 3.48204852 1.36216115 -0.73609046 0.23580392 C 8.73322602 8.74128953 3.51389053 -1.48134874 0.38767608 -0.92713852 C 8.73760594 6.99350550 5.21215963 -0.97082792 -1.37211362 0.88018966 Fe 6.98985831 8.73796062 5.22704535 -0.62526469 -1.82853843 0.92284994 Fe 0.01584140 0.00710848 6.96697706 0.25695636 1.11118744 0.80956176 C 1.74638116 1.74727995 6.95340902 0.22142148 -0.49127396 1.41732797 C 1.73409909 0.03295153 8.70531851 0.59980243 -1.02252088 0.62230794 Fe 0.00500096 1.71835033 8.72344690 0.45090315 0.57361985 -1.75215335 Fe 3.48480191 0.01751591 6.99476209 -0.14902116 1.42427807 -0.66382173 C 5.25051864 1.72559599 6.95476320 -0.95040883 0.95724354 0.41394600 C 5.21827782 0.02033638 8.70481049 -0.30409322 -1.77140972 1.29982965 Fe 3.51386294 1.71787938 8.72598283 -1.60116595 1.77488101 -2.49883770 C 6.94877697 0.02132471 6.95188001 0.59886693 -1.71071830 -0.50765844 Fe 8.67847684 1.72148955 6.94059138 -0.25151923 1.07200502 1.15592601 C 8.69329294 0.02153054 8.69762077 1.13542402 -0.62783734 0.51816524 C 6.96264836 1.72453176 8.73926715 0.81349752 1.43210121 -0.11581417 C 0.02193008 3.46066425 6.95321418 -1.09600178 1.81962509 0.83047877 Fe 1.76504501 5.19160267 6.99893135 -1.80761861 1.40050427 -0.25794304 C 1.72463407 3.47722005 8.68941941 0.99299001 -0.09550742 2.24840602 Fe 0.02443073 5.25605775 8.71168651 0.38982458 -0.96366225 -0.76893579 C 3.44806216 3.48286456 6.95509570 1.17234515 -0.08372023 1.35079336 C 5.25583715 5.25088902 6.99101409 -0.53742774 -0.54931572 -0.60294434 C 5.19065672 3.52923100 8.72508206 1.33481948 -0.61914666 0.76192387 Fe 3.50744590 5.23317526 8.71211294 -1.50086778 -0.60512810 -0.57925282 Fe 6.96305955 3.48437527 6.93531315 -0.89564707 -0.73563382 2.47280226 Fe 8.71118459 5.20920406 7.00030232 -0.68831046 1.82108972 -1.62287529 C 8.67993417 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