32 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=-31.015208068436973 stress="-0.0033599125957114407 0.00017984980681397296 -0.0001224235484030519 0.00017984980681397296 -0.003193843872954871 -0.0002471784372573337 -0.0001224235484030519 -0.0002471784372573337 -0.003553374890052266" free_energy=-31.015208068436973 pbc="F F F" Fe 21.24624097 21.14302402 20.85498893 -6.15212114 -3.73907844 -11.55953651 Fe 22.61042859 22.70947124 20.85512851 5.01559240 -3.96884837 -10.30322444 Fe 22.27036599 20.91333883 22.34655491 9.38959761 -7.06853910 3.74470262 Fe 20.87241235 22.32230844 22.41049160 -8.55865128 -4.53108819 3.39908589 Fe 23.72286420 20.93858073 20.75205420 2.77242332 -3.12977356 -2.04304110 Fe 25.51030213 22.45905688 20.96481084 1.74425672 -0.50143723 -1.90188741 Fe 25.51269179 21.02431084 22.70055796 4.19161038 -7.25603538 -2.27065828 Fe 24.03277713 22.34940664 22.66960808 -4.27213471 1.08901520 -5.03103369 Fe 20.96097674 23.78219307 21.21813893 -14.61885195 4.33920601 -13.82412281 Fe 22.42426529 25.69410236 20.83096497 -3.51987338 3.02806181 -4.56830803 Fe 22.38201197 23.92343446 22.22002482 6.99509188 1.63230764 11.91289120 Fe 20.77696427 25.41661558 22.46512192 -6.24706729 5.60566992 -2.69755967 Fe 24.22586561 24.29391194 20.72614529 -9.34366390 -12.77861698 -16.91862785 Fe 25.52103145 25.27761356 21.18220204 17.17863928 18.25716520 -10.02576150 Fe 25.39362841 24.23573857 22.52724172 12.12226515 -15.24134547 -7.51086431 Fe 23.77538150 25.20296332 22.20574499 -3.61302078 15.87648133 8.37997016 Fe 21.22083292 20.78984966 23.96399843 -7.92210348 -5.74490254 2.22579588 Fe 22.42299150 22.40698366 24.18107110 2.98834686 7.80109548 -7.42018405 Fe 22.32825321 21.13102478 25.59995250 4.00786629 -16.18636293 9.77961255 Fe 21.26120756 22.51193751 25.75226748 -12.08177776 8.89955948 6.17032137 Fe 23.96431997 21.04396501 24.31359043 -4.22063306 -8.74084955 -9.48765414 Fe 25.70379337 22.73854596 23.79123473 8.09773283 -5.67128938 3.50979024 Fe 25.28229695 21.02031036 25.50379692 12.70306722 -4.22150397 6.67075350 Fe 23.94549993 22.37970777 25.77711528 0.71947852 8.61234945 6.98231840 Fe 20.87871118 23.75213077 23.73125112 -5.17424903 3.52967691 7.11762863 Fe 22.21824351 25.63616082 23.76429260 4.17479561 3.45960258 2.78437987 Fe 22.62968218 24.21980528 25.79977655 2.36906828 -2.84361606 2.50447680 Fe 21.18543805 25.45460942 25.55894212 -5.92774025 3.33027378 1.60461507 Fe 24.19989723 24.12961200 23.87425859 -17.01474500 -8.45565300 7.02846743 Fe 25.65720406 25.26564846 23.88507600 12.84675915 17.49527857 4.85385155 Fe 25.79768454 23.98273691 25.36065667 3.49735087 -1.90013558 9.07045485 Fe 24.17089611 25.47011124 25.20220318 -2.14730938 9.02333237 7.82334779