4000 Lattice="36.5769671471601 0.0 0.0 0.0 36.5769671471601 0.0 0.0 0.0 36.5769671471601" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15045.77454955147 stress="-0.00296112555522479 1.1136855983850839e-05 -3.724330603715487e-05 1.1136855983850839e-05 -0.002992172327224399 7.516538437136945e-06 -3.724330603715487e-05 7.516538437136945e-06 -0.0029611969193095323" pbc="F F F" Fe 0.01191925 0.01143908 0.01018290 0.34218762 0.25810066 0.25145242 Fe 1.85137053 1.85496105 0.01884017 -0.12994113 -0.10249323 -0.16066899 Fe 1.83074473 0.01116393 1.85054227 -0.11264968 -0.17552702 -0.15789504 Fe 0.01164297 1.79258764 1.78703650 -0.18720428 0.08706861 0.07639500 Fe 3.62341976 0.01803020 0.01259077 0.08518405 0.17200104 0.19155210 Fe 5.49822813 1.85675000 0.03569826 -0.06682564 -0.14216539 -0.25366686 Fe 5.49588088 0.01921462 1.85376535 -0.07734596 -0.17443389 -0.17783347 Fe 3.67762551 1.86260327 1.86214440 -0.08935591 -0.17103529 -0.10876657 Fe 7.33379583 0.02196619 0.00601840 -0.10830780 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