108 Lattice="11.206764003454555 0.0 0.0 0.0 11.206764003454555 0.0 0.0 0.0 11.206764003454555" Properties=species:S:1:pos:R:3:forces:R:3 energy=-272.6307978096087 stress="-2.8943590768712704 -1.7073720661546161 0.2379966921507055 -1.7073720661546161 -2.2496597913596332 0.34380742161751243 0.2379966921507055 0.34380742161751243 -2.399618157656946" pbc="F F F" Fe 0.02967103 -0.00619580 -0.00827708 -0.16563410 -0.12753731 -0.11685819 Fe 1.88522857 1.87214074 -0.02182974 0.24551164 0.63468653 -0.50993108 Fe 1.87354190 -0.00311138 1.88974738 0.33228588 -0.55283601 0.36541548 Fe 0.01511884 1.87783646 1.88753030 -0.65419056 0.27415874 0.28650656 Fe 3.71108012 0.01271685 -0.01545855 0.27307201 -0.35568663 -0.25781251 Fe 5.62163967 1.89755478 -0.02835651 -0.11043738 -0.01639317 -0.24086280 Fe 5.60281345 -0.00516871 1.88381413 -0.11784927 -0.23206264 0.10314114 Fe 3.71241625 1.88150458 1.83883138 0.58113967 0.74702930 0.80420281 Fe 7.50579209 -0.03132108 0.01084237 -0.66533414 -0.19577353 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