108 Lattice="11.206764003454555 0.0 0.0 0.0 11.206764003454555 0.0 0.0 0.0 11.206764003454555" Properties=species:S:1:pos:R:3:forces:R:3 energy=-272.12693121523523 stress="-0.005802014714393946 0.0008966451025024982 0.000558943077456586 0.0008966451025024982 -0.005724350058602868 0.00036067365155286596 0.000558943077456586 0.00036067365155286596 -0.00566459660797003" free_energy=-272.12693121523523 pbc="F F F" Fe 0.01184623 0.03539089 0.01440228 -0.18220061 -0.40501790 -0.32680725 Fe 1.88244636 1.87811634 0.00325369 0.58166552 0.59175787 -0.59571611 Fe 1.88597911 0.03201035 1.89709927 0.42734148 -0.90867312 0.22888757 Fe 0.01042172 1.85287875 1.83820998 -0.64218879 0.75734125 0.80243678 Fe 3.70912408 0.01728517 0.02990205 0.21235979 -0.46415135 -0.45138437 Fe 5.63530514 1.83267773 0.01052458 -0.45443467 0.81255514 -0.45254418 Fe 5.60096209 0.00689533 1.88923467 0.00954975 -0.52881688 0.56162321 Fe 3.73281168 1.84998573 1.89173374 0.32898638 1.23791354 0.62911856 Fe 7.44776130 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