500 Lattice="19.74641665619342 0.0 0.0 0.0 19.74641665619342 0.0 0.0 0.0 19.74641665619342" Properties=species:S:1:pos:R:3:forces:R:3 energy=-943.7359727847437 stress="-0.0067158826877212335 -0.0005293608480816935 -0.0010744091802878698 -0.0005293608480816935 -0.007372248980853172 -0.0032017500778610247 -0.0010744091802878698 -0.0032017500778610247 -0.0002181545651847184" free_energy=-943.7359727847437 pbc="F F F" Fe 0.03411444 0.02973995 0.01530016 1.19646362 1.14376128 1.17381202 P 2.01004497 1.98448952 0.01415899 -3.92548378 0.07038135 -2.02429682 P 1.94214960 0.03029360 1.97761240 -1.55259608 -3.68043323 -0.22614856 Fe 0.01015804 1.95497788 1.97380387 1.56298153 -0.05896963 -0.05992044 P 3.97176735 0.00410625 0.01417335 1.58272784 -3.83043122 -1.89273945 P 5.93148275 1.97417714 0.01233733 3.47517428 -1.62210544 -3.57384229 Fe 5.93677329 0.00937049 1.92152031 -0.31929696 1.44556784 0.05036988 P 3.94005336 1.96394535 1.95143154 2.04327275 0.16235858 5.77336116 Fe 7.89868457 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