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=39.89743328054034 stress="-0.009807904006623087 -0.00036090838027156674 -0.000509730364216046 -0.00036090838027156674 -0.00963457615434282 0.00028153052688783647 -0.000509730364216046 0.00028153052688783647 -0.009896760737261956" free_energy=39.89743328054034 pbc="F F F" Fe 21.04882976 20.98139725 20.84920698 -2.04383094 -3.59170071 -2.94339841 Fe 22.74624097 22.64302402 20.85498893 -23.92535734 -41.73349465 -24.26601538 Fe 22.61042859 21.20947124 22.56518205 -18.13369005 -31.42024790 -8.52323657 Fe 21.05280714 22.62545614 22.29624181 -19.94752326 -18.56272501 9.01572055 Fe 24.16835908 20.82230844 20.91049160 -7.15090248 -12.90117355 -14.68633997 Fe 25.22286420 22.59568532 20.75205420 15.99530184 -1.31954548 -13.90348601 Fe 25.65488783 21.05988540 22.19288599 25.72068183 -14.39220268 3.73090532 Fe 24.16431082 22.17112928 22.46508478 13.21780944 0.94566076 -1.77804162 Fe 21.03277713 23.89971974 20.87366136 -21.52071405 -0.62522313 -28.38581521 Fe 22.46097674 25.28219307 21.21813893 -9.28680649 68.20138118 -78.18691990 Fe 22.50838970 24.19410236 22.33096497 -7.46274860 -44.43326267 37.77336259 Fe 20.88201197 25.43300593 22.22002482 -38.45373253 20.05195512 1.20369218 Fe 23.77696427 23.91661558 20.96512192 49.16845406 24.41091939 -29.46588626 Fe 25.54220909 25.71925435 20.76990700 3.04989180 0.88292240 -2.04008002 Fe 25.52103145 23.77761356 22.68220204 22.44410975 12.19887916 -21.99464490 Fe 23.89362841 25.73573857 22.24775701 26.97550090 25.33037598 9.27170789 Fe 20.96812140 20.75628536 23.73323774 -6.13736155 -4.35311281 1.89807145 Fe 22.72083292 22.52095654 23.98735431 -14.35525131 -6.64939613 20.38081189 Fe 22.42115172 20.91981642 25.50965146 -3.18315581 -5.93788270 5.40610829 Fe 20.82825321 22.63102478 25.59995250 -4.51788752 -5.10160345 6.53564048 Fe 24.26120756 21.01193751 24.39947556 -24.67252966 -26.42558787 -14.43669375 Fe 25.46431997 22.54396501 24.07236142 20.33530227 -12.63408894 -12.81667040 Fe 25.70379337 21.23854596 25.26922180 31.93214585 -13.85543391 31.54887840 Fe 23.87172039 22.47737460 25.68745344 -0.19828396 4.38141785 19.67504174 Fe 21.02015752 24.15530758 24.27711528 -77.04627277 -32.21774413 -15.42098761 Fe 22.09192831 25.25213077 23.73125112 20.20431698 66.20189393 8.85437266 Fe 22.21824351 24.35352527 25.26429260 46.36757916 -8.46417276 60.39931716 Fe 20.91572996 25.71980528 25.59202278 -10.18055291 13.46140764 7.37956070 Fe 24.18543805 23.95460942 24.07327937 -9.05363405 17.36085686 9.98928805 Fe 25.69989723 25.62961200 23.60640823 6.88802122 7.19350967 0.82597005 Fe 25.65720406 23.76564846 25.38507600 15.41706038 12.45858418 24.69971853 Fe 24.29809479 25.48273691 25.36065667 -0.44594021 11.53883434 10.26004808