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=-44.61434228543542 stress="0.0003599335375290985 -5.0439880851374855e-06 7.332703729292584e-05 -5.0439880851374855e-06 0.0001969485845170164 -8.417716943579275e-06 7.332703729292584e-05 -8.417716943579275e-06 0.0002698139526989922" free_energy=-44.61434228543542 pbc="F F F" Fe 20.95491083 21.03437140 20.89191729 1.62681359 0.48880795 0.35536384 C 22.55525431 22.45673305 22.58442254 0.23804327 0.78048301 1.08827551 C 23.95525223 21.08689529 20.97640297 -0.85144797 0.81017719 0.98430537 Fe 25.24114677 22.22736499 22.59601268 -2.68462036 -0.78581436 -0.64700116 Fe 21.09200417 23.88382773 20.96970286 0.59714858 -0.79154412 1.47310286 C 22.79489863 25.43381024 22.40849283 1.77448168 -1.43095300 -0.14254405 C 24.17492501 24.08796387 20.78902040 0.73293980 0.80973735 1.97243344 Fe 25.23155877 25.42113482 22.29375489 -1.60704408 -0.33402269 -2.63559336 Fe 20.88477302 21.06194135 23.87455773 0.61434564 1.21598974 -0.97579258 Fe 22.34440855 21.99233084 25.49454085 0.46850488 0.01227374 -1.26537387 C 24.07940778 21.04997140 23.96055881 0.11644684 -0.27256164 -0.16472464 C 25.41062519 22.10845592 25.78055862 -1.39380138 2.10173757 -2.37296311 Fe 20.72950407 23.79998375 24.23232047 1.85809977 -0.56942693 -0.88812283 C 22.71178743 25.74140249 25.73672153 0.07235899 -0.49134355 -0.49812514 Fe 24.24741067 24.10895215 23.75381041 -0.80402947 -0.87986448 4.48311170 C 25.75912702 25.50776698 25.35844045 -0.75823977 -0.66367577 -0.76635197