256 Lattice="14.168355560302738 0.0 0.0 0.0 14.168355560302738 0.0 0.0 0.0 14.168355560302738" Properties=species:S:1:pos:R:3:forces:R:3 energy=-952.3893908451763 stress="-0.00623558992005588 0.0006779570090055956 -4.7291034585640536e-05 0.0006779570090055956 -0.0062128727667867725 -0.00027791762568056023 -4.7291034585640536e-05 -0.00027791762568056023 -0.0062426336566254546" free_energy=-952.3893908451763 pbc="F F F" Fe 0.00856640 0.00133328 0.00148624 1.10990122 1.06539516 1.09844330 Fe 1.79101160 1.74796668 0.01460019 -0.60421382 -0.18623816 -0.32004765 Fe 1.76583609 0.00559311 1.77486846 -0.28375894 -0.32654071 -0.37716705 Fe 0.02881484 1.75547188 1.78631991 -0.34837492 -0.33521237 -0.70923150 Fe 3.51975903 0.01076753 0.02533330 0.03397647 0.40881213 0.41855874 Fe 5.34609085 1.75364532 0.02183407 -0.24943084 -0.09124963 -0.32908094 Fe 5.26012934 0.01447899 1.77639357 0.18749873 -0.35719617 -0.45217662 Fe 3.53642864 1.78591329 1.75215414 -0.22458693 -0.31810140 -0.19392623 Fe 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8.88623588 3.51492836 12.38884359 -0.28465192 0.06788177 0.29002289 Fe 7.09500853 5.33005232 12.42052446 0.10298735 -0.11612258 0.17621807 Fe 10.59886259 3.51203356 10.59176297 0.46714348 0.36959362 0.54941267 Fe 12.38304029 5.32259632 10.62878284 0.09245507 0.03764012 0.36111484 Fe 12.39533921 3.58281405 12.37721462 -0.70167208 -0.16742971 -0.68259395 Fe 10.60123562 5.26490269 12.40964550 0.37788750 0.25284620 0.04602681 Fe 0.02205793 7.05675899 10.59091515 -0.23470653 0.28621158 0.69457807 Fe 1.80569563 8.88841930 10.61037932 -0.61682764 -0.39179922 0.64952113 Fe 1.77330582 7.05209105 12.39796214 -0.42754090 0.15168906 0.17272809 Fe 0.01292992 8.84718713 12.40189254 0.80377945 0.07283076 -0.80088247 Fe 3.52997541 7.10083427 10.64648133 0.24739784 -0.30350405 0.17508638 Fe 5.30732667 8.88884325 10.64188839 0.10661949 -0.28531430 -0.07497486 Fe 5.29376969 7.06036086 12.41978629 0.11747403 0.10324713 0.15544217 Fe 3.56169228 8.82998813 12.41925522 -0.17888608 0.18224432 0.21494670 Fe 7.06985817 7.08893492 10.62572156 0.14512854 0.37144320 0.26559057 Fe 8.88485135 8.83688638 10.60095143 -0.42969696 0.11440619 0.34766615 Fe 8.85466015 7.12422266 12.43026286 0.00867141 -0.17665983 0.11076448 Fe 7.09108053 8.87724331 12.43003215 0.02840596 -0.06630155 -0.03452791 Fe 10.62450045 7.09401144 10.65899441 0.28368608 -0.16708265 -0.03569714 Fe 12.40586714 8.88243158 10.66148644 0.20072906 -0.13534394 0.10655646 Fe 12.39487231 7.10552666 12.37100334 -0.57956212 -0.11010469 -0.46166434 Fe 10.63226160 8.86635232 12.38422144 0.24855208 0.05744581 0.42987255 Fe 0.03337265 10.64245619 10.63909732 -0.27968214 0.26193028 0.51791613 Fe 1.76821611 12.40801277 10.63532151 -0.32903102 0.27071695 0.51248964 Fe 1.80035484 10.63924179 12.41792165 -0.50945575 0.25113011 0.16513049 Fe 0.02487910 12.36231729 12.41955955 1.09658912 -1.00306076 -0.99751061 Fe 3.50769756 10.63399216 10.61026566 0.45316575 0.26716218 0.55518541 Fe 5.29260164 12.41451774 10.60056149 0.01530063 0.12465244 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