108 Lattice="10.943212006311965 0.0 0.0 0.0 10.943212006311965 0.0 0.0 0.0 10.943212006311965" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.3281917983463 stress="-0.007135392258557709 0.0019691499097668425 -0.00027230188467765976 0.0019691499097668425 -0.008140590476015846 0.0012686253729385793 -0.00027230188467765976 0.0012686253729385793 -0.004533985880594462" free_energy=-357.3281917983463 pbc="F F F" Fe 0.01641492 0.01922034 0.02880095 0.30275922 0.32477684 0.09633774 Fe 1.81135536 1.84536784 0.02974879 0.28927976 -0.18678348 -0.18486575 Al 1.84146693 0.03091901 1.79435132 0.42527451 -0.42469474 0.09559323 Al 0.03328751 1.82510202 1.80811557 -0.34997990 0.58121323 0.45030054 Fe 3.61309207 0.00518153 0.00592157 0.17232062 0.41520083 0.25641567 Al 5.48450057 1.83272371 0.02005387 -0.20620238 -0.25359540 0.32846761 Fe 5.49390836 0.01677741 1.85984495 -0.25253190 0.09193586 -0.31201667 Fe 3.64738201 1.82008353 1.82989245 -0.00350161 0.02701884 -0.13190267 Fe 7.30776934 0.03572719 0.02591135 0.16420904 0.33611820 0.49376872 Fe 9.10177246 1.84207789 0.03079714 -0.19948224 -0.36610595 0.22151175 Fe 9.13259197 0.02507275 1.85779489 -0.28032123 0.41882360 -0.26195253 Fe 7.32051607 1.85260685 1.81392556 -0.11787094 -0.07807683 0.30243767 Al 0.02700308 3.65679728 0.03096446 -0.33217532 -0.22365399 -0.74918897 Al 1.85003318 5.47198064 0.01022603 0.77079152 -0.17024600 -0.29321289 Fe 1.83077646 3.66583709 1.80395489 0.31331468 -0.23254202 0.42416516 Al 0.02095314 5.42632964 1.80184114 -0.59937902 0.33980482 1.01250358 Fe 3.66990858 3.60917684 0.01107156 -0.29147995 0.14784739 0.23526505 Al 5.43825543 5.48500008 0.03492721 0.44772325 -0.59841030 -0.27970817 Fe 5.43827443 3.68982989 1.82782265 0.16079574 -0.30097381 0.12202966 Fe 3.61237245 5.48616422 1.82200527 0.09913818 -0.19243575 0.25693274 Al 7.31426215 3.62216402 0.00520497 -0.26662390 0.12328833 -0.23441461 Al 9.14013023 5.47019525 0.01312388 -0.33030106 0.66956587 0.02152141 Al 9.14785615 3.66531659 1.80252130 -0.00818867 -0.29542796 0.90351798 Fe 7.27068144 5.45201002 1.83929686 0.21294638 0.19294289 0.02359821 Al 0.04381395 7.26848281 0.03342465 0.02719882 0.40895569 -0.11064137 Fe 1.84421584 9.13611580 0.01397136 -0.19184755 -0.44705096 0.42927133 Fe 1.82911571 7.26318543 1.85784782 0.19093976 0.40641260 -0.19689643 Fe 0.03256850 9.08673855 1.87283849 0.44299936 -0.32061860 -0.16615340 Al 3.67503796 7.30479667 0.02970754 -0.73418240 0.44916635 -0.45569773 Fe 5.52515076 9.12622093 0.01049725 -0.08720044 -0.31685626 0.15954337 Al 5.48086403 7.30237066 1.85822714 0.61899727 -0.20332167 -0.45844258 Al 3.63882927 9.12913580 1.81748472 -0.41210412 0.58453964 -0.14932140 Fe 7.26655963 7.31354451 0.04155310 0.19832967 -0.12241110 -0.02544823 Fe 9.08790392 9.08943143 0.03487180 -0.12595690 -0.49656836 0.13780884 Fe 9.08404943 7.32061495 1.85294895 -0.15964971 -0.24323690 -0.17803292 Al 7.32330308 9.13015255 1.78410821 -0.13402297 0.39139099 0.41807111 Al 0.00566058 0.02602312 3.62823789 0.01363975 -0.45714699 0.10847978 Fe 1.86309174 1.79315841 3.63857902 -0.17107518 0.27146716 -0.05022444 Fe 1.87484644 0.03499207 5.45187400 -0.23327193 -0.11259756 0.07993742 Al 0.03462820 1.83272274 5.44518272 -0.47666925 -0.58519766 -0.23008979 Fe 3.65211010 0.02492549 3.62714155 -0.11069887 -0.04216675 0.00071501 Al 5.44191906 1.81160296 3.67284484 0.83929748 0.48876956 -1.53921725 Al 5.50710082 0.01529933 5.45820388 0.14173585 -0.63757119 0.85034411 Al 3.61934109 1.80885920 5.48224308 0.04530725 -0.85409513 -0.11482452 Al 7.30383234 0.03036363 3.61608008 0.43802167 -0.20808062 -0.27739889 Fe 9.14305407 1.82023113 3.58598196 -0.28856956 0.16092332 0.20031119 Al 9.14273689 0.01020361 5.46545898 -0.41822390 0.49037517 0.14891911 Fe 7.28091893 1.82294473 5.46658366 0.18014614 0.29242823 0.24016639 Fe 0.01122209 3.62842005 3.65198071 0.31852754 0.06174910 -0.13487522 Al 1.82087644 5.52776868 3.67712749 -0.12869468 -0.39583565 -0.47533742 Al 1.82978754 3.63563867 5.48176171 -0.24323550 0.81252497 -0.49885812 Fe 0.04285153 5.49034814 5.48274936 -0.09116907 -0.01999867 0.13404591 Al 3.61293226 3.61916587 3.64661976 -0.30672535 0.29179103 -1.06907408 Al 5.46088954 5.46144955 3.65412264 0.32194338 -0.18512215 -0.87639056 Al 5.46549261 3.68220615 5.48287781 0.75656977 -1.17758407 0.37570975 Fe 3.67283968 5.44552841 5.45525804 -0.24924923 0.18506819 0.39084799 Fe 7.25974456 3.67821017 3.65149235 0.28205586 -0.41819182 -0.27585458 Fe 9.13575625 5.50062291 3.60962689 -0.39739604 0.19859720 0.11952784 Al 9.11817565 3.65450360 5.45685803 0.02783946 -0.88133909 -0.38832458 Al 7.29658796 5.45926508 5.49885550 0.95014575 0.67725494 -0.74921373 Fe 0.06173762 7.30926700 3.67857452 -0.17605477 0.13347620 -0.17608143 Fe 1.82495203 9.11296161 3.60347268 0.10928068 -0.26020086 0.32005286 Fe 1.80543742 7.30421625 5.47221934 0.31786701 0.07795964 0.10060777 Fe 0.03641919 9.13639555 5.50059238 0.21133721 -0.27324332 -0.27765082 Al 3.68029473 7.25695195 3.68234917 -1.48224793 0.18872911 -0.42078094 Al 5.43844731 9.13240839 3.64479753 0.89754183 0.94574422 -0.22614230 Al 5.45445966 7.29969071 5.49321809 0.53027209 0.03061166 0.07152323 Al 3.66740931 9.13923735 5.48706623 -0.56749400 0.82088149 0.18729195 Fe 7.26720815 7.31659725 3.63636573 0.27180898 -0.24743473 0.18836123 Al 9.15284017 9.13859715 3.67722975 0.01936951 -0.14165952 -0.30097895 Fe 9.11363013 7.30550274 5.44773332 -0.18368229 -0.14798506 0.13315726 Al 7.31614192 9.12143919 5.45904101 -0.15252223 0.39331984 0.19172689 Fe 0.03007795 0.03630899 7.30964301 0.43182465 0.15301830 -0.15383315 Al 1.85793763 1.82970573 7.29786662 -0.38402524 -1.41234604 0.29519488 Fe 1.80442069 0.01179531 9.12609983 0.26431504 0.18787165 -0.50933476 Al 0.02155132 1.80359081 9.13666189 -0.23372213 0.07430501 0.17088769 Fe 3.66232625 0.03228677 7.26294149 -0.13502692 0.01260186 0.37469436 Fe 5.44075550 1.80133578 7.30526312 0.38326300 0.17710332 -0.39577872 Al 5.50433270 0.03265086 9.11403069 -0.18985411 -0.28141019 -0.17121273 Al 3.65449750 1.85713037 9.13568245 -0.24689635 -1.13674141 0.49156416 Fe 7.28975818 0.00794845 7.31500224 0.33335107 0.32053446 -0.09536376 Fe 9.10418386 1.84649507 7.28656521 -0.36057604 -0.06269213 0.27800969 Fe 9.08799940 0.03522753 9.15516969 -0.37177672 0.27027368 -0.61383430 Al 7.29354576 1.83771777 9.15194312 0.42171679 0.23860877 -0.30246971 Al 0.02827786 3.61786073 7.25487150 -0.92286445 0.79853399 0.35828103 Fe 1.85002758 5.51623364 7.26062287 -0.02287467 -0.25317941 0.11931942 Al 1.83305097 3.66649903 9.10517779 0.22369163 0.61444866 0.66876144 Al 0.03728090 5.50634960 9.12068685 -0.27634547 0.14579137 -0.23561770 Al 3.64885809 3.63405877 7.25702033 -0.18759733 0.96202689 0.37912481 Al 5.50686219 5.47071722 7.30560337 -0.51722959 -0.01416646 0.18584487 Al 5.44740527 3.60551215 9.10644557 0.33730597 0.27943855 0.58495325 Fe 3.67591774 5.49774096 9.13278289 -0.27316015 -0.13032835 -0.19572950 Fe 7.27217040 3.67491229 7.29716601 0.28512417 -0.54390421 0.06597586 Al 9.13667233 5.50147182 7.29737970 0.78860396 -0.29010174 -0.18139141 Fe 9.10521025 3.68200488 9.08998208 -0.20479588 -0.20426791 -0.36959823 Al 7.31580676 5.48209543 9.08715361 0.12907615 -0.61553601 1.07130157 Fe 0.00083697 7.35544610 7.28173981 0.11225093 -0.21612835 0.12703361 Al 1.82481668 9.09691947 7.27497770 -0.55890754 0.32199192 0.35173358 Fe 1.78888694 7.27773330 9.15353102 0.27173930 0.22914927 -0.32550867 Fe 0.00175655 9.09677707 9.10758951 0.41798984 -0.50677157 -0.30199038 Al 3.65170195 7.26610774 7.30232491 -0.75895882 -0.42557745 -0.16100134 Fe 5.47500603 9.10282300 7.34288054 0.28299358 0.06434328 -0.28705422 Al 5.46995698 7.33797644 9.14461758 0.46937026 -0.05805076 0.77964456 Al 3.64906430 9.10142876 9.08646785 -0.42003014 0.56094768 0.34937276 Al 7.30441234 7.31210291 7.31474694 0.29125873 0.95874280 -0.22466669 Fe 9.10673865 9.14830683 7.27797184 -0.21406450 -0.41360806 -0.02021203 Al 9.14636297 7.31573216 9.12137028 0.24868191 0.43371441 0.32583684 Fe 7.33819952 9.13895094 9.08462222 -0.16359401 -0.15084789 -0.39451020