108 Lattice="10.749460349686643 0.0 0.0 0.0 10.749460349686643 0.0 0.0 0.0 10.749460349686643" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1409.4992275093812 stress="-0.004938139557487392 3.7524055404784224e-05 -0.00041486827633645094 3.7524055404784224e-05 -0.005077230484985017 0.0004806137272532338 -0.00041486827633645094 0.0004806137272532338 -0.005129572865976437" free_energy=-1409.4992275093812 pbc="F F F" Fe 0.00707050 0.02178534 0.01671863 0.53241733 0.52974848 0.56642278 Fe 1.78962551 1.76552764 0.03089887 -0.19278665 -0.20028530 -0.19377782 Fe 1.79771594 0.00468208 1.81668689 -0.26647566 -0.25266726 -0.38552459 Fe 0.00064193 1.75929161 1.81299966 -0.19249290 -0.23560756 -0.42739198 Fe 3.61029083 0.01058600 0.00940346 -0.12347750 0.09822213 0.15168546 Fe 5.40323000 1.75073595 0.01774220 -0.10200401 0.09061164 -0.30353857 Fe 5.35621587 0.00427300 1.79836158 0.24897338 -0.41534928 -0.23832286 Fe 3.61299665 1.74262669 1.78697350 -0.20165617 0.27497329 -0.22820708 Fe 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