256 Lattice="14.884906423899688 0.0 0.0 0.0 14.884906423899688 0.0 0.0 0.0 14.884906423899688" Properties=species:S:1:pos:R:3:forces:R:3 energy=-701.1689668291353 stress="-0.0054453000402537085 0.00010009986516648257 -3.586334011806508e-05 0.00010009986516648257 -0.005601951192979293 -0.00023425674131739564 -3.586334011806508e-05 -0.00023425674131739564 -0.005829916024413355" free_energy=-701.1689668291353 pbc="F F F" Fe 0.02826996 0.01638476 0.01262226 -0.51524195 -0.42855796 -0.44089143 Fe 1.86719340 1.83522455 0.00352894 0.48881439 1.07999806 -0.76518690 Fe 1.82648187 0.02933425 1.86018145 0.77584567 -0.76492498 0.87636747 Fe 0.02144049 1.89735384 1.83135072 -1.00003530 0.31947017 0.79897042 Fe 3.69413523 0.03604975 0.03497873 0.18831650 -0.68621693 -0.56023893 Fe 5.59520692 1.84586086 0.03503816 -0.46259959 0.98529503 -0.98786759 Fe 5.60270066 0.02114999 1.82552304 -0.50720818 -0.90896355 1.12838270 Fe 3.74395260 1.87069696 1.87720220 -0.26253669 0.60508440 0.67503355 Fe 7.40878058 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