108 Lattice="10.946337155916263 0.0 0.0 0.0 10.946337155916263 0.0 0.0 0.0 10.946337155916263" Properties=species:S:1:pos:R:3:forces:R:3 energy=-356.66038557985837 stress="-0.008177816561801684 0.0013157814662708356 0.0014074566657679957 0.0013157814662708356 -0.00906134746249876 -0.0005278814524252536 0.0014074566657679957 -0.0005278814524252536 -0.00660984604389685" free_energy=-356.66038557985837 pbc="F F F" Fe 0.01723718 0.01280257 0.02428853 0.49913411 0.25707366 0.47908360 Al 1.83910970 1.83599532 0.02886236 -0.07709485 -0.71305971 -0.77534519 Fe 1.81328063 0.02435167 1.85648950 0.07933616 -0.01071972 -0.42968689 Al 0.02437237 1.84496364 1.82874222 -1.10923846 -0.23698929 -0.22199034 Al 3.59716942 0.01034031 0.00326428 0.21379701 -0.32729610 0.34714822 Al 5.49057117 1.76618701 0.00674908 -0.22579729 0.28410425 0.09490594 Fe 5.51923290 0.00843109 1.85693364 -0.30990818 0.13969704 0.05950339 Fe 3.61725661 1.82563884 1.79669184 0.36283674 -0.06863596 0.56937983 Fe 7.26189794 0.02843288 0.02047655 0.36468972 0.06419005 0.28013640 Fe 9.12093143 1.80845680 0.01297992 -0.37730608 0.04825869 0.44660874 Fe 9.09006728 0.02349535 1.80665092 -0.39001593 0.28455992 0.01312748 Fe 7.29220411 1.80186873 1.82329085 0.14389125 0.14153963 0.14077917 Al 0.03307065 3.66801148 0.01388286 -0.38442959 0.70795162 -0.49796732 Fe 1.84521893 5.50320294 0.01149687 -0.24746132 -0.19971255 -0.03991160 Al 1.84307306 3.67073675 1.80312151 -0.58049559 0.24636456 0.00877776 Fe 0.00689196 5.49712209 1.84234594 0.17303962 -0.15603426 -0.06670069 Al 3.65687351 3.64294916 0.01277109 0.18433829 -0.08425635 -0.62568436 Al 5.45104355 5.49159892 0.02197066 0.92887329 0.25697562 -0.66790679 Fe 5.48188670 3.67792783 1.83669925 -0.37535578 -0.43541260 0.13371731 Al 3.61258130 5.50960894 1.81985244 1.19388335 0.34736585 0.45983092 Al 7.27107808 3.61931844 0.02836713 0.23121645 -0.49365180 -0.27890382 Al 9.11493068 5.46255214 0.00550438 0.07783798 0.28091004 -0.26428711 Fe 9.10226917 3.67311191 1.80520646 0.11631627 -0.23729059 0.14548035 Al 7.27946421 5.44034475 1.82552913 -0.09524673 0.99010289 0.49394848 Al 0.03278115 7.32539442 0.00362331 -0.14833888 -0.51663427 -0.47611518 Fe 1.83362347 9.14138019 0.06611607 0.48929620 -0.05548801 -0.10248468 Al 1.79694464 7.30732044 1.80036658 0.44239296 0.33051264 0.83697884 Al 0.03235725 9.13883969 1.79916971 -0.29321310 0.26738008 0.85047161 Al 3.66526175 7.26559276 0.01009521 -0.73495146 0.88745591 -0.72850533 Al 5.48371481 9.09649622 0.02585626 0.07940930 0.09739141 0.13403529 Fe 5.46858869 7.33276748 1.81142397 0.08287145 -0.39884519 0.39074404 Fe 3.63389744 9.14512116 1.80075548 -0.25545042 -0.31812179 0.21242376 Fe 7.28552579 7.33258718 0.04047689 0.22852234 -0.18777192 0.07282811 Fe 9.09191459 9.11042874 0.02184563 -0.55200734 -0.40748121 0.33282449 Al 9.12711478 7.30458955 1.86708820 0.01757763 0.13748529 0.03141400 Fe 7.27242850 9.10005769 1.80238373 0.37838829 -0.14055191 0.26067929 Al 0.01325606 0.03533162 3.61240253 -0.53681603 -0.96071904 0.07779832 Al 1.80676183 1.82691909 3.63001369 0.48110882 0.28314392 -0.54997025 Al 1.84156647 0.03644360 5.48392084 -0.14253679 -1.65771748 0.00043582 Al 0.02813977 1.79894502 5.50541455 -1.34261511 0.44346404 -0.63345335 Al 3.62822851 0.00273362 3.67874882 0.32347631 -0.39318803 -1.36053045 Fe 5.51205427 1.83941170 3.65610458 -0.31061779 0.02764792 -0.14463357 Al 5.43904280 0.02532061 5.48273289 1.31185267 -0.20908331 -0.15846710 Al 3.65117799 1.82775997 5.49833479 0.52281648 0.58528486 -0.34317994 Fe 7.25950913 0.02665805 3.67349543 0.21590468 0.25314049 0.02673844 Al 9.13381848 1.85413136 3.65269546 0.10472663 -0.55775097 -0.45228402 Al 9.11587100 0.01993213 5.49057809 -0.02107258 -0.18888675 -0.36698563 Fe 7.31539314 1.83824277 5.50791139 -0.26302931 -0.07710244 -0.24778221 Fe 0.03152767 3.63259315 3.62766977 -0.06437940 0.21397158 0.13907343 Al 1.83650870 5.44807594 3.63320753 -1.06108556 0.96831864 0.19917818 Al 1.82220719 3.66847752 5.44772656 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0.38424529 -0.30069059 Fe 3.65197194 1.78965212 9.12169218 0.06880952 -0.04331228 -0.06112676 Al 7.30987489 0.02973027 7.32250463 -0.44638301 -0.19256124 0.17715106 Al 9.15359667 1.81217904 7.29914918 0.35125135 0.37373794 0.42792453 Fe 9.12586391 0.03427134 9.14949683 -0.40888491 0.39002186 -0.24777746 Fe 7.25612760 1.77231037 9.12559899 0.30411276 0.25200307 -0.13747077 Al 0.01360544 3.59496215 7.30508864 -0.85019129 0.14167388 0.52223547 Al 1.79147396 5.45563813 7.28648525 0.71104107 0.21079315 0.35014771 Fe 1.83631082 3.66422742 9.08129590 -0.04003675 -0.41680062 0.18878426 Al 0.02672106 5.45313323 9.15667922 -0.35518721 -0.02925805 0.51236184 Al 3.64838332 3.60205382 7.32698376 0.46723330 0.26186172 0.71809734 Fe 5.44526107 5.43864431 7.34455621 0.28499771 0.35404229 -0.13366215 Fe 5.44458278 3.64054741 9.08656191 0.22819087 -0.12052983 0.07803105 Fe 3.61820258 5.43761812 9.13789307 0.06215925 0.10839520 -0.22923636 Al 7.30782246 3.65540492 7.29829242 -0.18274242 0.16203645 0.45179352 Fe 9.12451768 5.48944598 7.32604605 -0.13690822 -0.25657603 -0.04474473 Fe 9.09982798 3.68169588 9.14471751 -0.28613195 0.01309740 -0.35108080 Fe 7.31873906 5.46004934 9.13678964 -0.20602820 -0.08011848 -0.28534533 Al 0.00530323 7.28941815 7.28519081 -0.92391463 0.20905311 0.19158950 Fe 1.86106785 9.08164619 7.26431846 -0.09584377 0.12066526 0.32212014 Al 1.85909728 7.30662113 9.08633682 0.02182663 0.15148308 0.48105257 Fe 0.03033032 9.13931452 9.09009251 0.54282555 -0.31102790 -0.51722084 Fe 3.67234499 7.24047657 7.32947360 -0.01435994 0.20591037 -0.25630976 Fe 5.52417368 9.06271945 7.27289882 -0.29776966 0.06890275 0.14135713 Fe 5.45690185 7.32802552 9.12408055 0.21083973 -0.21975341 -0.20840301 Al 3.63350930 9.12318656 9.15235518 0.27949438 0.03789104 -0.48363149 Al 7.32763058 7.31169192 7.31092825 -0.72417378 -0.57803969 0.33494134 Fe 9.12352995 9.09975897 7.30538373 -0.38050870 -0.02126930 0.11435414 Al 9.09083430 7.27409371 9.15644249 0.18322190 -0.02934021 -0.17150636 Fe 7.33184129 9.10178922 9.12843240 -0.21307534 -0.10285580 -0.40659177