108 Lattice="10.600396876511745 0.0 0.0 0.0 10.600396876511745 0.0 0.0 0.0 10.600396876511745" Properties=species:S:1:pos:R:3:forces:R:3 energy=-412.00051592359085 stress="-0.008796729109292259 -0.004093322960137342 0.0014800693631918797 -0.004093322960137342 -0.01325194055295649 0.001716522312750325 0.0014800693631918797 0.001716522312750325 -0.014100999666497334" pbc="F F F" Fe 0.03338106 0.03121406 0.00758579 0.43502184 0.41393939 0.52573737 Fe 1.77233099 1.80261396 0.01402949 -0.13682856 -0.48061273 -0.50742508 Fe 1.81514273 0.03209003 1.78454655 -0.13291927 -0.13392040 -0.23936028 Fe 0.00996181 1.77207724 1.79792813 -0.79056565 0.15438624 -0.41351773 V 3.54849433 0.03179927 0.02685762 -0.41010590 0.40567435 0.09492855 Fe 5.29013704 1.75362327 0.02082977 0.19973968 0.49889410 -0.85969945 V 5.32983562 0.03501995 1.75132765 -0.55809596 -0.75224318 0.72737138 Fe 3.56675563 1.80527680 1.75693078 0.17906645 -0.23354482 0.48552996 Fe 7.09193943 0.01749219 0.03516049 -0.34773234 0.24448419 -0.03134094 Fe 8.86356901 1.76259950 0.01952951 -0.50715827 0.34341855 0.48565452 Fe 8.82733582 0.00614937 1.74866771 -0.41614381 0.70255745 0.43799251 V 7.03760455 1.78039790 1.78791642 0.84265782 -0.83199468 -0.40460182 V 0.00275698 3.54591365 0.00123191 0.28393804 -0.34751806 0.39712603 Fe 1.74514918 5.29576387 0.02372984 0.18836327 -0.04551204 -0.68323801 V 1.72994510 3.51536470 1.76540203 0.30933780 0.37408633 -0.06599555 V 0.01116800 5.27863870 1.78141170 -0.70954989 0.02145843 -0.37013139 V 3.53004723 3.50514447 0.02099654 -0.30103392 0.39622232 -0.98502141 V 5.32204108 5.30125842 0.01677275 -0.48749088 0.37955931 -0.94347778 Fe 5.29897019 3.55324543 1.75837239 -0.03137402 -0.27356894 0.25694031 V 3.52483029 5.33814542 1.76530517 0.15478256 -0.64198926 0.37592553 V 7.05744893 3.54113571 0.02204369 0.13586038 -0.23096085 -1.05216651 Fe 8.82136061 5.28746606 0.03247798 -0.10653440 0.26947974 -0.14470567 V 8.82540164 3.53633511 1.73100851 0.28460609 -0.35829612 0.65664529 Fe 7.04811963 5.33305615 1.73804367 0.10662768 -0.42307568 0.85155768 V 0.02101785 7.12020353 0.00356000 0.23151499 -0.19294874 0.01203405 V 1.75119434 8.86718133 0.00255360 0.50237065 -0.52163221 0.76934677 Fe 1.79190667 7.04047219 1.73296234 -0.60729216 0.68976370 0.37970843 V 0.02135699 8.83852079 1.78123922 0.61680052 -0.61560798 -0.09045122 Fe 3.52182345 7.05260305 0.01284989 -0.24066615 0.24553790 -0.72301878 Fe 5.26869995 8.83891355 0.00584088 0.75148443 -0.50402827 0.15314430 Fe 5.28857970 7.08119790 1.73379799 0.41403252 0.26760725 0.38585573 Fe 3.50783927 8.83348851 1.79418228 -0.26950125 0.22590500 -0.25004317 V 7.08821468 7.03687057 0.00301999 -0.33065057 0.81004570 -0.71136523 V 8.84360572 8.81338190 0.00900121 -0.58014106 -0.80194314 0.58246245 Fe 8.82295069 7.03328073 1.77543308 0.51461816 0.36893276 -0.02061250 V 7.11700208 8.81690488 1.74300945 -0.57583029 0.53848676 -0.00006995 V 0.02605669 0.05280133 3.54126677 0.24110386 -0.19587244 0.06842580 Fe 1.74350320 1.79814750 3.50904657 0.51077938 -0.32409640 0.50124892 Fe 1.79755444 0.00323228 5.31103552 -0.18541484 0.00921595 -0.26502983 V 0.03311491 1.78644469 5.32455961 -0.32960532 -0.21517049 -0.22639612 Fe 3.51008022 0.02575716 3.56370054 0.21956626 -0.35531779 -0.22108103 Fe 5.26589889 1.76871049 3.54166456 0.49699664 0.22479036 0.14072801 V 5.30255284 0.02517492 5.32046960 -0.29333837 -0.38670463 -0.24213862 V 3.54801835 1.80913849 5.29958324 -0.49234305 -0.38301645 -0.48566113 Fe 7.05324263 0.00401445 3.54881705 0.26535706 -0.21803720 0.19481755 V 8.82068219 1.79371488 3.53195755 0.63149364 -0.22607045 -0.18459444 Fe 8.84796710 0.02255863 5.30163332 -0.22122067 0.29719829 -0.03452240 Fe 7.06167757 1.78046677 5.27125151 -0.38846496 -0.13652977 0.30545027 Fe 0.00922439 3.52182479 3.51058950 -0.51656536 -0.34165175 0.79893643 Fe 1.73307666 5.32092503 3.49870608 1.04057629 -0.40411029 1.03405093 V 1.78361078 3.51799810 5.32508001 -0.34704644 0.71122073 -1.63631052 Fe 0.02180625 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Fe 8.81133378 3.54788609 8.78571499 0.25412337 -0.33992843 0.11677445 Fe 7.08110131 5.28381492 8.86241528 -0.06174319 0.09269082 0.19098501 V 0.03008750 7.07757005 7.13524006 -1.08902682 0.13335226 -0.48643846 V 1.72983408 8.85052627 7.08636871 0.09541579 0.54530634 -0.36179550 Fe 1.79119734 7.09874919 8.82182511 -0.22367384 -0.40836186 0.25246185 V 0.01071939 8.82552132 8.84320913 0.47961447 -0.31532634 -0.20596815 V 3.54979492 7.06483712 7.04336691 -0.24819020 0.13764762 0.36174320 V 5.27974346 8.82617913 7.10135669 0.02572134 0.29018117 0.25641406 Fe 5.27025181 7.05393508 8.83729156 0.46652621 0.45498243 0.69048865 V 3.55417078 8.81996716 8.84191447 0.25223237 0.28284522 0.07603430 Fe 7.07232193 7.10029548 7.06661965 -0.61378759 -0.42132133 0.05272721 V 8.83452430 8.80141648 7.11638389 -0.31691030 -0.06208414 -0.01571033 Fe 8.83344805 7.07069126 8.81086804 -0.15881250 0.27381409 -0.15429684 V 7.05129944 8.82326916 8.84439306 -0.20904663 -0.23401144 -0.27479875