32 Lattice="7.055579358663991 0.0 0.0 0.0 7.055579358663991 0.0 0.0 0.0 7.055579358663991" Properties=species:S:1:pos:R:3:forces:R:3 energy=-406.96641392762075 stress="-0.008951584853449886 0.0012603704299712457 -0.00024754699575770857 0.0012603704299712457 -0.011852681879468523 -0.003193132594755477 -0.00024754699575770857 -0.003193132594755477 -0.00897461764027542" free_energy=-406.96641392762075 pbc="F F F" Fe 0.00165115 0.00003826 0.00438846 0.36928699 0.35096912 0.36285222 Fe 1.74421003 1.75984331 0.01523414 -0.15528194 -0.09225629 -0.58914182 Fe 1.74443183 0.02938158 1.76730358 0.00523738 -0.82087482 -0.28626488 Fe 0.02712115 1.70806892 1.78549571 -0.76676542 0.22771575 -0.46526813 Fe 3.55141915 0.04477827 0.01912972 0.09539618 -0.21230120 -0.03641330 Fe 5.25926825 1.78655934 0.03464446 0.12048269 -0.07153802 0.04175773 Fe 5.32516668 0.00081186 1.79465185 -0.20066398 0.05073739 -0.23754159 Fe 3.52652344 1.73744986 1.73112140 0.25945712 0.14514926 0.18943670 Fe 0.02039017 3.55405747 0.00307596 0.07287347 -0.03482024 0.15655507 Fe 1.75900710 5.29763215 0.01369542 -0.15295589 0.02831201 0.02740523 Fe 1.75130512 3.53111639 1.77899495 -0.00538597 0.08380774 -0.48316356 Fe 0.02245124 5.25882622 1.76638532 0.02197387 0.18723112 -0.12502479 Fe 3.51866825 3.59285744 0.02951050 0.16213346 -0.12398618 -0.48591738 Fe 5.26806100 5.28572911 0.02126607 -0.32092691 -0.28395947 0.41807041 Fe 5.30027526 3.55654886 1.76128573 0.35631942 0.07177252 -0.23355934 Fe 3.50736811 5.31779952 1.77570044 0.26951515 0.47977929 -0.23374750 Fe 0.03302916 0.02273125 3.54620159 -0.10748260 -0.16804627 0.08903555 Fe 1.78038995 1.78876602 3.51413269 -0.27796283 -0.27174370 0.29260302 Fe 1.70962188 0.03296292 5.29132309 0.21860829 -0.19479419 0.05814592 Fe 0.04797137 1.71494024 5.29898230 -0.09590735 0.31355692 -0.06713914 Fe 3.51775038 0.01909579 3.55608723 0.29056501 -0.57880289 0.02632916 Fe 5.31555001 1.74774720 3.49489208 0.29979655 -0.11350266 0.33061500 Fe 5.28439631 0.02614151 5.30914989 -0.36581323 0.48535382 -0.48699002 Fe 3.50934162 1.73290965 5.26663122 0.41802363 -0.02927540 0.63754424 Fe 0.02288225 3.53494205 3.50286986 -0.57554628 0.15233767 0.66987715 Fe 1.79486485 5.26324740 3.54924466 -0.44638624 0.58933087 0.33155528 Fe 1.78140143 3.52050438 5.30358676 -0.44631897 0.25319454 0.46097892 Fe 0.02092999 5.31699400 5.30342757 0.57599559 -0.54850019 -0.54408368 Fe 3.52451491 3.51290457 3.52012575 0.42522339 0.16098977 0.16630058 Fe 5.28166036 5.25196890 3.49591891 -0.12544631 0.05502347 0.31291206 Fe 5.29699890 3.50674060 5.26281920 -0.21250265 0.05976653 -0.14060235 Fe 3.52005518 5.27592128 5.30731135 0.29445839 -0.15062626 -0.15711676