108 Lattice="10.535455212239343 0.0 0.0 0.0 10.535455212239343 0.0 0.0 0.0 10.535455212239343" Properties=species:S:1:pos:R:3:forces:R:3 energy=-384.6694267820948 stress="-0.00829804482516546 0.00036434300539354996 -0.0004204936697885496 0.00036434300539354996 -0.008441236325563805 8.584290169266439e-05 -0.0004204936697885496 8.584290169266439e-05 -0.008174359565660547" free_energy=-384.6694267820948 pbc="F F F" Fe 0.02670330 0.01709657 0.01553988 1.02213969 1.00336389 0.97738117 Fe 1.78369012 1.77330868 0.02526008 -0.54680538 -0.34479148 -0.50752970 Fe 1.77813390 0.01244903 1.72871187 -0.51588223 -0.54860375 -0.05806697 Fe 0.01695870 1.75620646 1.78153877 -0.55548546 -0.38920463 -0.59658993 Fe 3.48942743 0.00691265 0.03270624 0.10404205 0.40035775 0.19997862 Fe 5.23992146 1.79002941 0.02349557 0.11735866 -0.56207174 -0.58328362 Fe 5.29278683 0.01354515 1.71726749 -0.31111840 -0.42964394 -0.00238946 Fe 3.49128304 1.77771396 1.78769861 0.16313971 -0.19498711 -0.24812159 Fe 6.98965937 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3.49998292 1.75156277 8.76917625 0.03130742 -0.27078210 0.37803992 Fe 7.03862235 0.02911946 7.03848654 0.33578763 -0.54232234 0.42537202 Fe 8.76174349 1.76545610 7.01831522 0.72305472 -0.52748487 0.42695898 Fe 8.77427085 0.00359647 8.80136447 -0.96413774 0.99215229 -0.96969230 Fe 7.05568452 1.75555912 8.78835027 0.11168083 -0.23785439 0.33493414 Fe 0.00608044 3.46518620 7.05244085 -0.52825421 0.19183609 0.03871529 Fe 1.77626840 5.25662616 6.99598032 -0.58112245 0.12753882 0.83116648 Fe 1.75714344 3.47708635 8.78630132 -0.21459711 0.13983971 0.43430964 Fe 0.02470670 5.23335798 8.74833291 0.42111038 0.06243678 -0.33896122 Fe 3.48187539 3.52872806 7.01496447 0.25352467 -0.23844768 0.32459615 Fe 5.25337785 5.29286849 7.00496366 0.29634760 -0.24605087 0.19852182 Fe 5.25249315 3.55333623 8.74647900 0.04786035 -0.27078667 0.39565106 Fe 3.51182850 5.29386541 8.79021982 -0.31710144 -0.14874695 0.42205875 Fe 7.05091346 3.51575844 7.02109499 -0.13039443 -0.14865212 0.48636805 Fe 8.75770636 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