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=-21.407723307468686 stress="0.0004421212303992266 6.718137917692046e-05 0.00012113224931932237 6.718137917692046e-05 0.0007128858110560669 -1.4072389132280179e-05 0.00012113224931932237 -1.4072389132280179e-05 0.00047422545004710824" free_energy=-21.407723307468686 pbc="F F F" C 20.90332151 21.19410236 20.96064715 0.16837550 3.79628436 0.33003901 C 22.38201197 22.43300593 22.22002482 -1.90645933 1.77247098 -1.20144949 C 23.99676954 21.21639213 21.15055997 3.05743564 2.80517958 1.83785393 Fe 25.72586561 22.79391194 22.18075472 -8.19599909 2.73838500 -1.73824673 Fe 21.02103145 23.77761356 21.18220204 2.55533003 -4.61891643 3.54871309 Fe 22.39362841 25.73573857 22.52724172 -1.15198516 -3.94094618 4.26900398 C 23.77538150 23.70296332 20.84887301 3.32400982 -1.70909410 2.58277613 C 25.59509151 25.28984966 22.64455837 -0.97372889 -5.58393590 0.41951080 Fe 20.80806750 21.20466820 24.16380800 0.36691541 0.27113947 -0.01785536 Fe 22.18890988 22.63102478 25.59995250 0.80549389 0.45317656 -0.63843022 Fe 24.26120756 21.01193751 24.42316360 1.55258626 3.97207860 0.41065452 C 25.46431997 22.51407624 25.57236142 -2.66557634 -0.69890558 -2.40808231 C 21.20379337 24.23854596 23.47142498 1.48330374 1.78062455 -3.27291369 Fe 22.28229695 25.52031036 25.68745344 0.43449420 -1.21988316 -2.91580421 Fe 24.02015752 23.87970777 24.27711528 2.69445249 1.71770717 -0.11595076 C 25.37871118 25.25213077 25.23125112 -1.54864818 -1.53536491 -1.08981870