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=365.60320910720026 stress="-0.011580828594428263 0.00025991546921835866 5.802485762235142e-05 0.00025991546921835866 -0.010670567584398336 -0.00017273275628368117 5.802485762235142e-05 -0.00017273275628368117 -0.011778663919384825" free_energy=365.60320910720026 pbc="F F F" Nb 21.24624097 21.14302402 20.85498893 -26.84614791 -19.83333494 -23.87187769 Nb 22.61042859 22.42703010 20.85512851 9.34768039 16.49209707 -41.35686939 Nb 22.40822144 20.91333883 22.24572639 3.29967398 -38.00231847 17.73054266 Nb 20.87241235 22.32230844 22.41049160 -35.82696436 -11.29459322 12.05440726 Nb 23.72286420 20.93858073 20.75205420 21.60082814 -17.98932771 -16.68009387 Nb 25.65488783 22.55988540 20.70245745 7.65399721 -6.04854749 -8.49578871 Nb 25.66431082 20.81425730 22.75079404 9.49619551 -8.84913086 -4.90093921 Nb 24.03277713 22.39971974 22.37366136 13.48184981 -13.70815409 -8.86777692 Nb 20.96097674 23.78219307 21.21813893 -26.71822259 9.58486380 -30.45510731 Nb 22.11554166 25.69410236 20.83096497 0.63381138 11.96236310 -12.58628607 Nb 22.38201197 23.93300593 22.22002482 5.93488500 5.95585825 -3.55510010 Nb 20.77696427 25.41661558 22.67517547 -23.12878698 18.08742409 -1.79741190 Nb 24.22586561 24.29391194 20.72614529 -14.83050784 -7.45027315 -37.66995978 Nb 25.52103145 25.27761356 21.18220204 24.72901716 26.84280308 -25.29351941 Nb 25.39362841 24.23573857 22.52724172 53.85079354 -18.20767700 -22.39665317 Nb 23.77538150 25.20296332 22.56099032 -23.97523241 52.15546481 -16.08347762 Nb 21.22083292 20.78984966 23.93704121 -16.33290097 -15.67768681 1.74989665 Nb 22.71893823 22.40698366 24.18107110 -12.27774203 12.57088850 -7.89434696 Nb 22.48535781 21.13102478 25.59995250 -8.25028675 -29.43473058 26.12727330 Nb 21.26120756 22.51193751 25.75226748 -21.38778490 10.00769759 12.92158690 Nb 23.96431997 21.04396501 24.06278996 13.17176880 -33.79530193 -8.24101671 Nb 25.70379337 22.73854596 23.76922180 31.63020187 -23.46146824 5.70061882 Nb 25.28229695 21.02031036 25.68745344 16.57498894 -10.36603342 7.37450095 Nb 24.02015752 22.37970777 25.77711528 12.11976058 13.08536290 29.64938832 Nb 20.87871118 23.60900276 23.73125112 -22.27868934 2.95222361 21.27653674 Nb 22.19488764 25.63616082 23.76429260 -1.94350128 22.18351732 11.85553409 Nb 22.87091118 24.24181821 25.79977655 -6.97282894 0.75876656 18.95830930 Nb 21.18543805 25.45460942 25.57327937 -8.05797262 3.97039280 7.76585931 Nb 24.19989723 24.12961200 23.87425859 -30.99012084 -16.72868313 27.88925870 Nb 25.65720406 25.26564846 23.88507600 41.60996554 43.88717995 13.03411455 Nb 25.79768454 23.98273691 25.36065667 19.49271496 -8.26240920 28.91472223 Nb 24.17089611 25.47011124 25.20220318 -4.81044303 28.61276679 27.14367504