500 Lattice="18.236926867447906 0.0 0.0 0.0 18.236926867447906 0.0 0.0 0.0 18.236926867447906" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1918.493415143826 stress="-0.002901146224041154 0.0001765866296093381 4.791606830809883e-05 0.0001765866296093381 -0.0028952955240632732 -0.00025851045351861843 4.791606830809883e-05 -0.00025851045351861843 -0.002970854898993799" free_energy=-1918.493415143826 pbc="F F F" Fe 0.00525050 0.01873163 0.00420797 0.41791222 0.45978649 0.42779194 Fe 1.82151994 1.85874327 0.04890529 -0.07339849 -0.27509216 -0.04291678 Fe 1.79099327 0.02280428 1.85334043 0.20957677 -0.00023303 -0.30908924 Fe 0.02627758 1.84642481 1.83801623 -0.11110774 -0.25073450 -0.21916224 Fe 3.62950243 0.03199920 0.00610298 -0.09771918 0.22905549 0.26831659 Fe 5.43552335 1.86019180 0.03204318 0.16351388 -0.11802371 -0.15363914 Fe 5.46874952 0.01075143 1.78062664 0.00883662 -0.07398849 0.23049070 Fe 3.67261261 1.82870120 1.83973597 -0.12688921 -0.04139086 -0.18236647 Fe 7.26885931 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