108 Lattice="11.206764094085905 0.0 0.0 0.0 11.206764094085905 0.0 0.0 0.0 11.206764094085905" Properties=species:S:1:pos:R:3:forces:R:3 energy=-271.77129609721266 stress="-0.006373065753979157 -0.0007071158270284774 -0.00020905485906410042 -0.0007071158270284774 -0.006578590427176877 -0.00022974781738116466 -0.00020905485906410042 -0.00022974781738116466 -0.006055948835755469" free_energy=-271.77129609721266 pbc="F F F" Fe 0.02062971 0.03468233 0.00328330 -0.36051443 -0.37226418 -0.31619913 Fe 1.87252750 1.85535878 0.00133756 0.36430972 0.87514409 -0.78420152 Fe 1.88110346 0.03128291 1.84698719 0.26841089 -0.88042547 0.96427860 Fe 0.02780539 1.88250513 1.85403483 -0.59789742 0.60099847 0.87794009 Fe 3.70770102 0.01562798 0.02232065 0.26588663 -0.56727927 -0.60894466 Fe 5.61972455 1.83574516 0.00297381 -0.18938390 0.96353653 -0.42789418 Fe 5.62778702 0.01215185 1.83404423 -0.29384006 -0.51976393 1.13773516 Fe 3.70898101 1.86329718 1.84427084 0.56462333 0.96318174 1.24628486 Fe 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