252 Lattice="12.255485750592909 0.0 0.0 0.0 8.66593708097935 0.0 0.0 0.0 57.19226683610024" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1035.1229857776182 stress="0.0016581018393840715 1.583810259747182e-11 -1.7650564016175082e-06 1.583810259747182e-11 0.005294122411974244 -8.662912651938938e-07 -1.7650564016175082e-06 -8.662912651938938e-07 -1.3629199250572211e-08" free_energy=-1035.1229857776182 pbc="T T F" Fe 12.25465621 0.00853014 14.35205102 -0.00000643 -0.00000604 0.00000049 Fe 2.04175143 1.45285299 14.35205131 -0.00000551 -0.00000592 0.00000038 Fe 2.04174370 0.00852787 16.34591483 -0.00000576 -0.00000540 0.00000031 Fe 4.08432471 1.45285073 16.34591536 -0.00000711 -0.00000561 0.00000002 Fe 4.08430662 0.00852298 18.38783630 -0.00000784 -0.00000386 -0.00000025 Fe 6.12688753 1.45284584 18.38783656 -0.00000660 -0.00000414 -0.00000058 Fe 6.12685900 0.00851631 20.43040875 -0.00000627 -0.00000257 0.00000004 Fe 8.16944002 1.45283916 20.43040855 -0.00000724 -0.00000275 -0.00000010 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