32 Lattice="7.080894895975144 0.0 0.0 0.0 7.080894895975144 0.0 0.0 0.0 7.080894895975144" Properties=species:S:1:pos:R:3:forces:R:3 energy=-98.02658312289162 stress="-0.008800648248011267 7.88680650270677e-05 0.0004670835603370634 7.88680650270677e-05 -0.00811121615022033 -0.00047111444930368585 0.0004670835603370634 -0.00047111444930368585 -0.008540721952550697" free_energy=-98.02658312289162 pbc="F F F" Fe 0.02080658 0.01432906 0.03434746 0.25594233 0.18491879 0.17821960 Fe 1.78892904 1.78899731 0.01205254 -0.20272664 -0.22639417 -0.37872172 Fe 1.75557270 0.00379385 1.80499569 0.32839455 -0.36266994 -0.20947963 Fe 0.01518327 1.74826242 1.78321809 -0.48983450 0.17255069 -0.18672687 Fe 3.51299778 0.02114089 0.01027598 0.10499846 0.03522380 0.13110007 Fe 5.32828883 1.77401132 0.02781535 -0.15366677 -0.08296894 -0.07966773 Fe 5.30772607 0.00913259 1.80245284 -0.08636178 0.01329948 -0.16347682 Fe 3.53932676 1.79244299 1.77726704 0.09709047 -0.25310332 0.07850369 Fe 0.03929116 3.54919959 0.03902326 -0.15838974 -0.12639979 -0.10542900 Fe 1.76442277 5.30115190 0.03445065 0.15789471 0.13542585 -0.07252056 Fe 1.76919163 3.51980710 1.78174082 0.03493157 0.27287475 0.02825370 Fe 0.03138911 5.32250072 1.76019886 -0.16499220 -0.02340742 0.15888361 Fe 3.51447996 3.55645365 0.00919758 0.17830070 -0.06499184 -0.45121783 Fe 5.29250406 5.27911991 0.02467682 -0.09350212 -0.13203168 0.09232972 Fe 5.31275383 3.51398802 1.73930137 0.32083586 0.15386239 0.40987167 Fe 3.56959463 5.31136850 1.76978178 -0.22120220 0.28148429 0.07690003 Fe 0.02835383 0.01752552 3.51307248 -0.12105631 -0.00327222 0.32687680 Fe 1.77464829 1.79099755 3.53347371 -0.06852132 -0.18300082 0.27418511 Fe 1.78197368 0.01239291 5.31295364 -0.07194382 0.08506869 -0.09528668 Fe 0.01141021 1.79847472 5.34127956 0.18806811 -0.06923425 -0.12055949 Fe 3.56258436 0.01460029 3.57319711 -0.19922270 -0.45113863 -0.13234038 Fe 5.30571223 1.73627120 3.56202297 0.40458342 0.34808293 -0.09719873 Fe 5.30074029 0.03176240 5.32222798 -0.22432519 0.18909119 -0.08933853 Fe 3.51447558 1.81054181 5.27547705 0.15817315 -0.10682660 0.62027915 Fe 0.01415509 3.51726468 3.55612111 -0.47949760 0.11138140 -0.09178501 Fe 1.73504927 5.29592663 3.53306169 0.24514257 0.50458891 -0.00061037 Fe 1.77920858 3.59009397 5.32323839 -0.18089679 -0.25641611 0.46892534 Fe 0.02504784 5.27906665 5.30639640 0.03193976 -0.12193943 -0.11958348 Fe 3.50861436 3.55951365 3.56266291 0.43555004 0.07044176 -0.34151457 Fe 5.30230768 5.34152027 3.52557538 -0.02924797 -0.17653009 -0.02428794 Fe 5.32158001 3.55442232 5.28029398 0.03743607 -0.09852824 -0.05118564 Fe 3.55958869 5.27590251 5.32702836 -0.03389416 0.18055860 -0.03339750