32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-13.496459847 stress="-2.358835950179222 -0.18916245116470998 -0.06635171258213546 -0.18916245116470998 -2.4151209319912303 0.002436013905806666 -0.06635171258213546 0.002436013905806666 -2.421053338580392" pbc="F F F" Fe 0.04882976 -0.01860275 -0.15079302 -0.56783382 -1.22705861 -1.25717897 Fe 1.74624097 1.64302402 -0.14501107 -12.23664647 -16.70858777 -7.29018239 Fe 1.61042859 0.20947124 1.56518205 -1.82559111 -22.53981308 -15.23525984 Fe 0.05280714 1.62545614 1.34655491 -9.93737810 -3.96434288 3.73002009 Fe 2.82209925 -0.17769156 -0.08950840 0.84080608 -4.61457161 -5.04461548 Fe 4.22286420 1.73452745 -0.24794580 9.73704937 -2.51983952 -8.62293693 Fe 4.65488783 0.05988540 1.20245745 8.26118527 -7.40460364 1.02368117 Fe 3.32141542 1.31425730 1.47886919 -9.09456713 2.85278000 -1.66376883 Fe 0.03277713 2.89971974 -0.12633864 -10.25035134 -2.54030336 -14.84425641 Fe 1.46097674 4.28219307 0.21813893 5.90958711 28.39343106 -28.59276303 Fe 1.26716069 3.19410236 1.33096497 7.37869915 -29.63452631 20.26563693 Fe -0.11798803 4.43300593 1.22002482 -16.89177230 10.51505448 5.59155008 Fe 2.77696427 2.91661558 -0.03487808 15.36246158 17.57770866 -3.27209050 Fe 4.58273760 4.77055607 -0.03262570 -0.04152628 -1.96131362 0.44373928 Fe 4.52103145 2.77761356 1.68220204 8.18262131 10.88711170 -9.07847613 Fe 2.89362841 4.73573857 1.54925465 8.45919782 4.53648333 1.35915940 Fe -0.18085679 -0.10429677 2.65610233 -3.42911146 -1.66852868 2.74106266 Fe 1.72083292 1.28984966 2.74908098 -3.27176259 20.04569967 20.55437710 Fe 1.47631354 -0.09301634 4.56543583 -2.43066363 -2.19198415 1.08957005 Fe -0.17174679 1.63102478 4.59995250 -1.61898757 -7.22650317 8.15544040 Fe 3.26120756 0.01193751 3.25226748 -9.34552074 -14.09378208 -6.89081186 Fe 4.46431997 1.54396501 3.07236142 11.76610339 -4.26768116 -8.19134450 Fe 4.70379337 0.23854596 4.26922180 14.22290287 -9.20743305 14.59255374 Fe 3.01340384 1.52031036 4.68745344 -6.74309639 -0.55746375 11.55688557 Fe 0.02015752 2.87786799 3.27711528 -23.61477429 -3.06236227 -20.81380993 Fe 1.39154394 4.25213077 2.73125112 1.84716326 18.18462549 5.27353573 Fe 1.21824351 3.33687423 4.26429260 21.15817745 -3.86683640 25.01984902 Fe -0.04173746 4.71980528 4.75684079 -4.72812094 4.04462183 1.63466694 Fe 3.18543805 2.95460942 3.34887918 -16.17900788 -0.28775017 -13.39303922 Fe 4.69989723 4.34282913 3.09162304 10.03367726 7.52878348 -7.29105149 Fe 4.65720406 2.76564846 4.38507600 15.63519509 4.04337280 17.83720890 Fe 3.29768454 4.48273691 4.36065667 -6.58811498 10.93561278 10.61264843