500 Lattice="18.23693057638411 0.0 0.0 0.0 18.23693057638411 0.0 0.0 0.0 18.23693057638411" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1918.668465352306 stress="-0.0036122309521376067 -0.0002489507211515243 0.00013343497936042144 -0.0002489507211515243 -0.0036849204815433165 0.0002713194019504699 0.00013343497936042144 0.0002713194019504699 -0.003730057522324431" free_energy=-1918.668465352306 pbc="F F F" Fe 0.02701388 0.02183729 0.00702876 0.25920335 0.30055873 0.33622579 Fe 1.85668355 1.77524996 0.01325100 -0.30261811 0.25330379 -0.12963533 Fe 1.82726574 0.03531813 1.82264493 -0.07244621 -0.28607459 -0.14762250 Fe 0.03352851 1.80493486 1.84275633 -0.14817910 0.05028357 -0.30480072 Fe 3.68381580 0.06200988 0.02812903 -0.01409988 -0.21459916 -0.00805113 Fe 5.44564438 1.85592672 0.02793614 0.42587631 -0.23602198 -0.15815910 Fe 5.50103750 0.00502469 1.82208502 -0.01204633 0.00293035 -0.14208940 Fe 3.66721505 1.78958031 1.78305858 -0.07254384 0.22404699 0.34719179 Fe 7.31406091 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