108 Lattice="10.926749188730973 0.0 0.0 0.0 10.926749188730973 0.0 0.0 0.0 10.926749188730973" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.43299471507123 stress="-0.005269867942150385 -0.00024359129199165355 -7.411308621055952e-05 -0.00024359129199165355 -0.0052173875926835485 -0.0007287592663223766 -7.411308621055952e-05 -0.0007287592663223766 -0.005580267705431606" pbc="F F F" Fe 0.02205638 0.00793142 0.03463143 0.27611043 0.27014968 0.25329664 Fe 1.82900294 1.83765898 0.00904672 -0.12045733 -0.20533334 -0.34003081 Fe 1.83317562 0.00869631 1.83982837 -0.19006531 -0.26543209 -0.12667637 Fe 0.01119949 1.83876265 1.80897137 -0.20535468 -0.11306348 0.07213935 Fe 3.64051738 0.02389562 0.02719555 -0.02765911 -0.04445865 -0.05554076 Fe 5.48372225 1.80003748 0.01581451 -0.05234778 0.07190433 -0.31472680 Fe 5.46920251 0.01123558 1.80790178 -0.09546748 -0.30170816 0.17305602 Fe 3.62931425 1.80463469 1.79240501 0.14842533 0.12114413 0.33085226 Fe 7.26777764 0.00256917 0.03440104 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