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=-13.496459846991938 stress="-0.003854221589573655 -0.0003090821144896932 -0.0001084154254643242 -0.0003090821144896932 -0.003946188473515766 3.980326562147974e-06 -0.0001084154254643242 3.980326562147974e-06 -0.003955881733257849" free_energy=-13.496459846991938 pbc="F F F" Fe 21.04882976 20.98139725 20.84920698 -0.56783382 -1.22705861 -1.25717897 Fe 22.74624097 22.64302402 20.85498893 -12.23664647 -16.70858777 -7.29018239 Fe 22.61042859 21.20947124 22.56518205 -1.82559111 -22.53981308 -15.23525984 Fe 21.05280714 22.62545614 22.34655491 -9.93737810 -3.96434288 3.73002009 Fe 23.82209925 20.82230844 20.91049160 0.84080608 -4.61457161 -5.04461548 Fe 25.22286420 22.73452745 20.75205420 9.73704937 -2.51983952 -8.62293693 Fe 25.65488783 21.05988540 22.20245745 8.26118527 -7.40460364 1.02368117 Fe 24.32141542 22.31425730 22.47886919 -9.09456713 2.85278000 -1.66376883 Fe 21.03277713 23.89971974 20.87366136 -10.25035134 -2.54030336 -14.84425641 Fe 22.46097674 25.28219307 21.21813893 5.90958711 28.39343106 -28.59276303 Fe 22.26716069 24.19410236 22.33096497 7.37869915 -29.63452631 20.26563693 Fe 20.88201197 25.43300593 22.22002482 -16.89177230 10.51505448 5.59155008 Fe 23.77696427 23.91661558 20.96512192 15.36246158 17.57770866 -3.27209050 Fe 25.58273760 25.77055607 20.96737430 -0.04152628 -1.96131362 0.44373928 Fe 25.52103145 23.77761356 22.68220204 8.18262131 10.88711170 -9.07847613 Fe 23.89362841 25.73573857 22.54925465 8.45919782 4.53648333 1.35915940 Fe 20.81914321 20.89570323 23.65610233 -3.42911146 -1.66852868 2.74106266 Fe 22.72083292 22.28984966 23.74908098 -3.27176259 20.04569967 20.55437710 Fe 22.47631354 20.90698366 25.56543583 -2.43066363 -2.19198415 1.08957005 Fe 20.82825321 22.63102478 25.59995250 -1.61898757 -7.22650317 8.15544040 Fe 24.26120756 21.01193751 24.25226748 -9.34552074 -14.09378208 -6.89081186 Fe 25.46431997 22.54396501 24.07236142 11.76610339 -4.26768116 -8.19134450 Fe 25.70379337 21.23854596 25.26922180 14.22290287 -9.20743305 14.59255374 Fe 24.01340384 22.52031036 25.68745344 -6.74309639 -0.55746375 11.55688557 Fe 21.02015752 23.87786799 24.27711528 -23.61477429 -3.06236227 -20.81380993 Fe 22.39154394 25.25213077 23.73125112 1.84716326 18.18462549 5.27353573 Fe 22.21824351 24.33687423 25.26429260 21.15817745 -3.86683640 25.01984902 Fe 20.95826254 25.71980528 25.75684079 -4.72812094 4.04462183 1.63466694 Fe 24.18543805 23.95460942 24.34887918 -16.17900788 -0.28775017 -13.39303922 Fe 25.69989723 25.34282913 24.09162304 10.03367726 7.52878348 -7.29105149 Fe 25.65720406 23.76564846 25.38507600 15.63519509 4.04337280 17.83720890 Fe 24.29768454 25.48273691 25.36065667 -6.58811498 10.93561278 10.61264843