256 Lattice="14.600543825685754 0.0 0.0 0.0 14.600543825685754 0.0 0.0 0.0 14.600543825685754" Properties=species:S:1:pos:R:3:forces:R:3 energy=-873.0045853791019 stress="-0.004596656988012659 -8.344282764602926e-05 0.0002586276454873281 -8.344282764602926e-05 -0.004479774346656606 0.0003282275873976155 0.0002586276454873281 0.0003282275873976155 -0.00448143766509089" free_energy=-873.0045853791019 pbc="F F F" Fe 0.02318215 0.01461023 0.02703425 0.22542811 0.17467008 0.23889076 Fe 1.79502377 1.81354481 0.02185375 0.15980146 -0.08780612 -0.24433143 Fe 1.83294497 0.00703406 1.85808335 -0.07346554 -0.29316732 -0.26320746 Fe 0.01326099 1.81137917 1.80945720 -0.31898576 0.00640823 0.05196201 Fe 3.68548071 0.00253050 0.01907764 -0.09790526 0.18704249 0.09990622 Fe 5.51166108 1.85697368 0.02815024 -0.12087535 -0.18192053 -0.18119006 Fe 5.44974997 0.03225797 1.82965843 0.23181014 -0.30138070 -0.06736800 Fe 3.65906943 1.82780261 1.85504889 -0.10307578 0.09315136 -0.11823103 Fe 7.33915588 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7.32716149 5.44743774 12.76025136 -0.08330016 0.08052962 0.20490945 Fe 10.93238001 3.68501677 10.96007872 0.11125438 -0.17134315 -0.00942572 Fe 12.78878440 5.46340793 10.97626648 0.12713396 0.11442066 -0.08475174 Fe 12.80407843 3.67470811 12.76958448 -0.18545383 -0.10694741 -0.12637171 Fe 10.98540757 5.51102155 12.77968311 -0.14721929 -0.15618471 0.18155526 Fe 0.00536566 7.31224283 10.91669414 -0.22204006 -0.05748318 0.15301247 Fe 1.79464239 9.11170780 10.92041238 0.19510448 0.09927117 0.18581915 Fe 1.87051946 7.29887102 12.78283809 -0.11143581 0.08291471 0.10471168 Fe 0.01192469 9.10548292 12.76005043 0.16380818 0.04143476 -0.12642408 Fe 3.66287540 7.29036260 10.93361711 -0.02971393 0.07737936 -0.01448293 Fe 5.48461900 9.09018155 10.94549720 0.04700964 0.13150360 -0.26038973 Fe 5.45684041 7.27728343 12.75083461 0.13870845 0.12058966 0.29359084 Fe 3.68525241 9.14125737 12.74110791 -0.18188241 -0.13515992 0.21656767 Fe 7.28834189 7.26775336 10.98030297 0.09191458 0.24489802 -0.18658183 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