108 Lattice="10.926749397482837 0.0 0.0 0.0 10.926749397482837 0.0 0.0 0.0 10.926749397482837" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.3606018142673 stress="-0.0056103875823880515 -0.000527897892746121 -0.00037303349304774254 -0.000527897892746121 -0.005524820480934947 8.436381882757793e-05 -0.00037303349304774254 8.436381882757793e-05 -0.005614803422487697" free_energy=-348.3606018142673 pbc="F F F" Fe 0.01619426 0.01022410 0.03123171 0.16367175 0.23922505 0.22433909 Fe 1.80207172 1.80352404 0.01512244 -0.09682996 0.04845607 -0.41970645 Fe 1.82271455 0.03151071 1.78735462 -0.09105243 -0.39148412 0.16411270 Fe 0.00450703 1.85179067 1.84438617 -0.31158217 -0.24552533 -0.12507786 Fe 3.68532366 0.04162829 0.02660874 -0.08134464 -0.07605979 -0.15758541 Fe 5.47933662 1.85413810 0.00856894 0.13198795 -0.10670056 -0.27040912 Fe 5.45633731 0.01946687 1.81271519 0.00693527 -0.24075186 0.10642748 Fe 3.61920780 1.79986329 1.78497345 0.12965332 0.22357268 0.45373246 Fe 7.27517383 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0.02641272 -0.00553226 -0.08881216 Fe 1.83257815 1.78817969 3.66709296 0.14589516 0.22996861 -0.19276095 Fe 1.80037981 0.01138073 5.49292426 0.13156810 -0.35209022 -0.14650665 Fe 0.03311428 1.83855043 5.44109717 -0.41350655 -0.03732931 0.11608935 Fe 3.65962747 0.02552692 3.67812094 -0.05494990 -0.22970969 -0.05437094 Fe 5.47192305 1.79252027 3.66694773 -0.10696414 0.27773950 -0.08575549 Fe 5.47971372 0.01008537 5.49827716 -0.08519736 -0.17080437 -0.09208547 Fe 3.61167863 1.85374002 5.47699314 0.22969025 -0.08461431 -0.16068182 Fe 7.27929587 0.03393169 3.62287045 0.12607395 -0.37656453 0.14794995 Fe 9.09396543 1.85656151 3.61184331 0.29054743 -0.15499173 0.08450818 Fe 9.11333212 0.03469645 5.48468899 -0.05939020 0.06183215 -0.12415685 Fe 7.29586352 1.82441768 5.47629926 -0.18327327 0.10581583 -0.11453270 Fe 0.02142751 3.63054519 3.62945248 -0.22453789 0.10228369 0.06624779 Fe 1.80805254 5.47024566 3.64045127 0.27851262 -0.09397751 -0.06569682 Fe 1.79156113 3.62557828 5.46557663 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9.11215795 9.11170842 0.09203202 -0.12388792 -0.19813688