256 Lattice="14.321638123187132 0.0 0.0 0.0 14.321638123187132 0.0 0.0 0.0 14.321638123187132" Properties=species:S:1:pos:R:3:forces:R:3 energy=-900.6532467458935 stress="-0.00518650799754173 -0.00012290166194788666 8.404567259096574e-05 -0.00012290166194788666 -0.00530046163410752 -0.00020041639102514954 8.404567259096574e-05 -0.00020041639102514954 -0.0054959806233294845" free_energy=-900.6532467458935 pbc="F F F" Fe 0.00890398 0.03310702 0.00963444 0.63452326 0.61611640 0.64591887 Fe 1.82387927 1.76409209 0.03019255 -0.12947826 0.05728610 -0.53114807 Fe 1.80006870 0.00948417 1.81867874 -0.06836037 -0.47048916 -0.12239614 Fe 0.01168700 1.82516157 1.76283583 -0.39682597 -0.11273254 0.10061600 Fe 3.61729916 0.00631831 0.01977871 -0.08533002 0.07861693 0.20561710 Fe 5.34502013 1.78137133 0.01971717 0.15167536 0.09175221 -0.32065585 Fe 5.40203057 0.00742614 1.82791071 -0.20055991 -0.34926337 -0.01867699 Fe 3.55297679 1.81848169 1.78447868 0.18016414 0.00159794 0.42945199 Fe 7.19245078 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