16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-17.857905986631142 stress="0.0006587883111397707 0.000145414236490502 7.208908395894488e-05 0.000145414236490502 0.0006721738945550907 0.00025778184540355706 7.208908395894488e-05 0.00025778184540355706 0.0006158025643120921" free_energy=-17.857905986631142 pbc="F F F" Fe 21.14302402 20.85498893 21.11042859 2.76343915 2.14773465 2.59737725 C 22.70947124 22.35512851 22.55280714 -0.77390280 -1.66527515 -3.22024323 Fe 23.91333883 20.84655491 20.87241235 -2.46340535 4.62214501 2.91395118 Fe 25.32230844 22.41049160 22.22286420 -5.87810183 0.82341848 3.86559922 C 20.93858073 23.75205420 21.15488783 2.62922638 2.71937986 2.80905542 Fe 22.34973506 25.20245745 22.65166513 1.09743531 -4.13443391 -1.29549855 Fe 23.81425730 23.98844065 21.03277713 1.25787503 -2.16362279 5.08574619 C 25.39971974 25.37366136 22.46097674 -2.87806313 -2.50958545 -2.58411006 Fe 20.78219307 21.21813893 23.76716069 3.88757323 2.54963491 -1.96691807 C 22.69410236 22.33096497 25.38201197 -1.95753179 0.86580996 -1.82787755 C 23.93300593 20.72002482 23.77696427 1.23550674 1.50719676 -1.37977269 C 25.33960708 22.37210558 25.55411883 0.00000000 0.00000000 0.00000000 Fe 21.29391194 23.72614529 24.02103145 4.06007009 -1.26190283 1.82879051 C 22.27761356 25.68220204 25.39362841 -1.48160955 -3.01239922 -2.28676430 C 24.23573857 24.02724172 23.90640628 -0.04456526 1.49083927 -1.80988355 Fe 25.20296332 25.34887301 25.72083292 -1.45394624 -1.97893953 -2.72945178