500 Lattice="18.428546410584328 0.0 0.0 0.0 18.428546410584328 0.0 0.0 0.0 18.428546410584328" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1546.2592753785166 stress="-0.004206420860491172 -0.00016282592951046031 0.00011674054682363871 -0.00016282592951046031 -0.004250416545117923 1.8428569585913876e-05 0.00011674054682363871 1.8428569585913876e-05 -0.003904774169093959" free_energy=-1546.2592753785166 pbc="F F F" Fe 0.02756819 0.02074655 0.00623370 -0.54882689 -0.62076764 -0.57863434 Fe 1.85159457 1.81187108 0.02847115 0.53312660 0.85444946 -1.22346758 Fe 1.81809791 0.00779266 1.86289115 0.86651538 -1.20153317 0.54087422 Fe 0.00267988 1.82584925 1.81769630 -1.25946247 0.77697743 0.83522204 Fe 3.66322892 0.01007632 0.03235626 0.30488646 -0.74652983 -0.80321114 Fe 5.57712558 1.87665395 0.02500394 -0.18612287 0.38764631 -1.14722370 Fe 5.55097986 0.02766494 1.81032553 -0.33064975 -0.97636170 1.03301468 Fe 3.68548920 1.81748639 1.81668959 0.28399763 1.03992295 1.43540134 Fe 7.38489260 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