256 Lattice="14.379117524083169 0.0 0.0 0.0 14.379117524083169 0.0 0.0 0.0 14.379117524083169" Properties=species:S:1:pos:R:3:forces:R:3 energy=-900.4209523009617 stress="-0.006621292182595526 1.7061784660822636e-05 -8.06493911051257e-05 1.7061784660822636e-05 -0.006253136522271318 -8.879453064896466e-05 -8.06493911051257e-05 -8.879453064896466e-05 -0.006466842009214288" free_energy=-900.4209523009617 pbc="F F F" Fe 0.01163983 0.00446640 0.00832849 0.35400299 0.38453252 0.41865808 Fe 1.77131468 1.78918902 0.01547185 -0.06437147 -0.05730644 -0.26884915 Fe 1.82355278 0.02826458 1.77593197 -0.43359615 -0.19674318 0.03991614 Fe 0.01656216 1.82445402 1.82058229 -0.07419606 -0.17647715 -0.07107184 Fe 3.57336944 0.03250211 0.00475620 0.06983216 0.09782639 0.09507916 Fe 5.38179866 1.77997707 0.00950757 0.03073209 0.16170991 -0.07211116 Fe 5.41573548 0.02773084 1.78015772 -0.09749321 -0.11277725 0.12446095 Fe 3.57408347 1.79078020 1.81738309 0.24010685 0.05100760 -0.22856188 Fe 7.16759730 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