32 Lattice="7.080893545401624 0.0 0.0 0.0 7.080893545401624 0.0 0.0 0.0 7.080893545401624" Properties=species:S:1:pos:R:3:forces:R:3 energy=-98.00750852368559 stress="-0.00956875314629226 0.00029414768825139037 0.0015661140163750514 0.00029414768825139037 -0.009426610963256993 0.0004216939119226342 0.0015661140163750514 0.0004216939119226342 -0.00799712196791602" free_energy=-98.00750852368559 pbc="F F F" Fe 0.01035619 0.02102636 0.01980427 0.14190165 0.04135820 0.15190610 Fe 1.74739063 1.74213171 0.01421499 0.31176154 -0.01860553 -0.52952152 Fe 1.77895958 0.01711266 1.80918370 -0.04692665 -0.45656939 -0.34026711 Fe 0.00712656 1.75526313 1.73506949 -0.46012336 0.10934687 0.32992754 Fe 3.56529521 0.01884176 0.02413578 -0.12523207 -0.01258890 0.18236573 Fe 5.26398072 1.78197590 0.01552658 0.08095759 0.01252291 0.07205505 Fe 5.33381998 0.01003289 1.80358041 -0.10635857 0.02587193 -0.16049764 Fe 3.50938367 1.80628680 1.79915788 0.13460104 -0.33365118 -0.22100960 Fe 0.01560022 3.50882552 0.02027506 -0.03973350 0.10512331 -0.15896043 Fe 1.74273351 5.33872354 0.05023595 0.16068149 -0.02980006 -0.12477710 Fe 1.78988985 3.52503412 1.74823132 -0.13501868 0.21582511 0.28956747 Fe 0.03058403 5.27589447 1.76454396 -0.18345098 0.11237296 0.10147198 Fe 3.52090237 3.55286924 0.02356741 0.14505364 0.17279932 -0.46257074 Fe 5.33120652 5.32193138 0.02800545 -0.28135385 -0.38814360 0.33358596 Fe 5.30713489 3.51239318 1.80137033 0.35766684 0.23087473 -0.30771403 Fe 3.56409554 5.33063344 1.77371472 -0.11387251 0.25428672 -0.05185956 Fe 0.04184120 0.03017724 3.54011496 -0.26917562 -0.12071461 -0.02437895 Fe 1.73972100 1.78897515 3.55859639 0.23438956 0.18528401 0.03104218 Fe 1.74793472 0.04043351 5.30109383 0.24090500 -0.17187042 0.09625713 Fe 0.01021325 1.75993054 5.33825888 -0.04737113 0.28447156 -0.02509284 Fe 3.52267356 0.01986860 3.51615103 -0.02361566 -0.49676697 0.18529359 Fe 5.28448814 1.73955635 3.51213111 0.50004684 0.28571708 0.31517696 Fe 5.27725221 0.02217956 5.27973632 -0.07509873 0.02921226 -0.18476075 Fe 3.56324455 1.74974308 5.30788063 -0.15148633 0.22607275 0.29790175 Fe 0.03208880 3.55910819 3.53545149 -0.41893648 -0.15472326 0.14340531 Fe 1.76011200 5.32414084 3.56065776 0.18093257 0.36358426 -0.15668942 Fe 1.80032576 3.57532617 5.32879899 -0.15953682 -0.26002065 0.37953221 Fe 0.03085948 5.30825544 5.31735750 0.15052511 -0.19522840 -0.16056588 Fe 3.53436044 3.55753356 3.55187251 -0.05077725 -0.07955259 0.09037151 Fe 5.29794362 5.27796115 3.52836764 0.10216504 0.12553296 0.09804789 Fe 5.30519535 3.55832993 5.33198852 -0.06654849 -0.18404777 -0.14836158 Fe 3.54890605 5.30793722 5.32701708 0.01302875 0.12202638 -0.04088120