864 Lattice="21.423006897003454 0.0 0.0 0.0 21.423006897003454 0.0 0.0 0.0 21.423006897003454" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-3349.4192670456446 pbc="F F F" Fe 0.03365350 0.02120468 -0.01081657 26 1.24556550 1.09070200 1.13861675 Fe 1.76201078 1.79996632 0.02839483 26 -0.43701442 -0.64749741 -0.10773148 Fe 1.81845670 -0.03216287 1.79121148 26 -0.66631666 0.21639511 -0.42336742 Fe -0.01300933 1.79848676 1.79541533 26 0.19048200 -0.55080071 -0.42093119 Fe 3.50830159 -0.00560217 -0.02702640 26 -0.01961775 0.88860809 0.86982972 Fe 5.33137331 1.78004283 0.01275013 26 0.04195652 -0.40497815 -0.09417320 Fe 5.34786966 0.04249526 1.79015361 26 -0.30367803 -0.15068172 -0.47426440 Fe 3.54790186 1.81357478 1.78458443 26 0.06276782 -0.44616397 -0.13034860 Fe 7.07795905 -0.02987044 -0.01490328 26 0.08863542 0.92409772 0.98117211 Fe 8.92922018 1.77397409 0.04761447 26 -0.17387315 -0.57487447 -0.10457379 Fe 8.95527596 -0.03064211 1.76509281 26 0.03699278 0.12572210 -0.38713554 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