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=-20.288657161857113 stress="0.00024130352306112455 0.00010012595134389858 8.026403008082968e-05 0.00010012595134389858 0.0002895928784974888 4.5532618507406116e-05 8.026403008082968e-05 4.5532618507406116e-05 0.00033359671743472493" free_energy=-20.288657161857113 pbc="F F F" Fe 20.75213077 20.73125112 20.71824351 1.11063403 1.64120255 1.16757020 Fe 22.63616082 22.26429260 22.62968218 0.92990845 1.27407234 1.30908913 Fe 24.21980528 21.29977655 21.18543805 0.96638838 2.73477085 1.48525467 H 25.45460942 22.57327937 22.69989723 -1.31243176 -1.01880358 -1.10898728 Fe 21.12961200 23.87425859 21.15720406 1.18570049 -0.95666864 0.29358681 Fe 22.26564846 25.38507600 22.79768454 0.79661595 -2.53501158 2.67666608 O 23.98273691 23.86065667 21.17089611 -2.87789590 -2.39478916 2.03372770 H 25.47011124 25.08656792 22.44866574 -0.22390547 -0.12672343 -0.13333660 Fe 20.85541431 20.89917148 24.26235339 2.28592903 2.22447905 1.05854449 O 22.34838096 22.71005355 25.71211731 -2.24899147 -2.02099898 -1.65133091 O 23.94968690 21.29594673 24.15710459 -0.76539504 0.31299594 -2.44017509 O 25.48858876 22.36970474 25.47664413 0.04585084 0.07870222 -0.28179133 H 21.24122900 24.02201293 23.81634348 1.15639662 0.86644749 -1.33885066 O 22.62605582 25.48566276 25.31443107 -0.31206924 0.32107448 -2.77340448 H 24.04376171 23.72051529 24.19273990 -0.66319103 -0.34382985 -0.33373931 H 25.13580969 25.40893475 25.64274548 -0.07354386 -0.05691971 0.03717659