32 Lattice="7.534356759364662 0.0 0.0 0.0 7.534356759364662 0.0 0.0 0.0 7.534356759364662" Properties=species:S:1:pos:R:3:forces:R:3 energy=-63.12219145707007 stress="-0.038086654522681104 -0.0018931745143891507 0.019080548441590312 -0.0018931745143891507 -0.013329487331146217 -0.018598149809046227 0.019080548441590312 -0.018598149809046227 0.028137497382723968" free_energy=-63.12219145707007 pbc="F F F" P 0.03314259 0.01898516 0.01425061 -1.41235717 0.81483373 -1.64838076 Fe 1.91947108 1.83773693 0.01479888 -0.24128825 0.06776839 0.52368733 P 1.92876670 0.03578552 1.85170944 -0.20903390 0.76618646 4.74482620 Fe 0.03433563 1.84617802 1.82786981 0.60834714 -0.08249536 -0.19209178 P 3.81487018 0.00398550 0.01426422 -0.18864834 -1.33642116 -1.43892650 P 5.65893545 1.85376646 0.01885428 3.56289971 0.55510890 1.10030427 Fe 5.63653144 0.03284007 1.84732216 -0.51209644 0.80361791 0.09414681 Fe 3.83037041 1.90394973 1.90735608 -0.02263208 -0.10940101 -0.36478262 P 0.03264415 3.74635311 0.00367774 -1.06569405 -4.41033445 -1.11434314 P 1.85861686 5.65460207 0.03241185 2.48595483 3.31816265 -1.29634025 Fe 1.86762184 3.74620124 1.89101343 0.07714145 0.59100654 -0.35926110 P 0.00218726 5.65781155 1.91431584 -1.22780248 0.91936000 4.36714749 P 3.78725512 3.78427016 0.00950390 -2.43188342 -2.43332323 1.09252293 P 5.64926071 5.62648208 0.00189633 1.43931144 1.44657215 0.97361058 Fe 5.63017178 3.82462119 1.91537660 -0.56025704 -0.06258441 -0.37508150 Fe 3.78998794 5.65493967 1.86667951 0.21083758 -0.69857644 -0.29589790 Fe 0.03552376 0.03496550 3.74655639 0.85473335 0.72872312 0.27358526 Fe 1.87123114 1.94558966 3.79343766 0.01175111 -0.46746679 -0.04487836 P 1.91892388 0.03618648 5.67375134 2.03381121 -1.41853256 -1.09831316 P 0.03465800 1.89514495 5.62072798 -1.55242278 2.19283837 -0.77721868 Fe 3.74167562 0.02760294 3.78038311 0.20774893 0.50713429 0.23592796 P 5.67841336 1.91345934 3.77702463 1.25883092 -2.33587158 -0.02697999 Fe 5.65764356 0.00587653 5.68707929 -0.60872184 0.81534063 -0.81621255 Fe 3.76648949 1.87665624 5.66411009 0.41751220 -0.15980936 -0.67330464 Fe 0.06991653 3.70857699 3.78547074 0.19955488 0.53592219 0.15953488 Fe 1.91486309 5.64967619 3.74821524 -0.37369950 -0.60248437 0.41082874 Fe 1.87087221 3.75939584 5.67345987 0.05207975 0.53027327 -0.62433580 P 0.03724165 5.66054345 5.66490330 1.00494473 -1.03392906 -1.04857626 P 3.79968592 3.78998278 3.78068993 -4.60392553 -2.35734704 -2.35533129 P 5.66853655 5.62290743 3.76855237 3.65277738 1.41292116 -2.17373762 Fe 5.67611889 3.77397870 5.63120391 -0.85545084 0.12761619 -0.75893178 P 3.76328033 5.64355752 5.64948096 -2.21232297 1.37519088 3.50680323