108 Lattice="10.453330061140296 0.0 0.0 0.0 10.453330061140296 0.0 0.0 0.0 10.453330061140296" Properties=species:S:1:pos:R:3:forces:R:3 energy=-312.7457802333083 stress="-0.0336021693786202 -0.0016754339987871797 -0.0019426814164153552 -0.0016754339987871797 -0.025864722567013318 -0.0038853828528719915 -0.0019426814164153552 -0.0038853828528719915 -0.034664269257591376" free_energy=-312.7457802333083 pbc="F F F" C 0.01239533 0.02243716 0.03158121 -0.99024691 -1.12806621 -0.93435886 C 1.76058791 1.73730541 0.01325760 0.16957433 1.69611144 -1.44693747 C 1.76211296 0.01349493 1.77654935 0.93823772 -1.49499032 -0.80649231 C 0.01784206 1.77259302 1.73984515 -2.28450060 0.81936756 0.18117559 Fe 3.47083551 0.04915064 0.01124501 0.74244249 -0.31476315 0.66974986 Fe 5.21413980 1.71003007 0.02807771 -0.88256597 0.92257380 -0.87632539 C 5.20553647 0.01760028 1.76320282 -1.94584886 -1.12855710 0.03157035 Fe 3.49276882 1.77005765 1.76678039 -0.91982450 -0.31597922 -0.62366023 C 6.93431924 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