256 Lattice="14.81295409572079 0.0 0.0 0.0 14.81295409572079 0.0 0.0 0.0 14.81295409572079" Properties=species:S:1:pos:R:3:forces:R:3 energy=-737.8675628468433 stress="-0.0048147296682098705 -0.00013001913649152486 -0.0006840038690026584 -0.00013001913649152486 -0.0046827485827804155 -4.789752930194307e-05 -0.0006840038690026584 -4.789752930194307e-05 -0.00498177287951234" free_energy=-737.8675628468433 pbc="F F F" Fe 0.03460853 0.02580684 0.01478209 -0.34335849 -0.33879090 -0.39658798 Fe 1.87416710 1.88679314 0.00739452 0.77822167 0.34867910 -0.88712947 Fe 1.86430679 0.02536813 1.85680950 0.58244293 -0.95894636 0.47084740 Fe 0.03538378 1.85178937 1.85892991 -1.12749779 0.34490434 0.36964163 Fe 3.73264504 0.01346846 0.02988641 -0.46675475 -0.62415299 -0.90036612 Fe 5.52588571 1.85669796 0.02035702 0.30850699 0.71677598 -0.76633547 Fe 5.48926776 0.00111906 1.81872339 0.45832692 -0.84782878 1.04329610 Fe 3.68890358 1.85705757 1.85960234 0.16118395 1.20993143 0.98001466 Fe 7.43658256 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