32 Lattice="7.93724777787857 0.0 0.0 0.0 7.93724777787857 0.0 0.0 0.0 7.93724777787857" Properties=species:S:1:pos:R:3:forces:R:3 energy=-118.46487594421858 stress="-0.015522525698223051 0.00289874173144448 4.868796502196546e-05 0.00289874173144448 -0.016291118643211748 0.0004997413190740174 4.868796502196546e-05 0.0004997413190740174 -0.015471410562379582" free_energy=-118.46487594421858 pbc="F F F" Ti 0.02562068 0.02556712 0.01678458 0.53184351 0.58088957 0.51737161 Ti 2.01153524 1.98917491 0.00010966 -0.26163624 -0.14436079 -0.99928456 Ti 1.96742738 0.01600585 1.98344046 0.09632490 -0.77614731 -0.06943729 Ti 0.01345100 1.99701040 2.00203096 -0.96387697 -0.27570579 -0.21503856 Ti 3.95783998 0.04898181 0.00502766 0.12252802 -0.14301025 0.14233894 Ti 5.91850710 2.01591567 0.04825855 0.39616101 -0.09866569 -0.14563094 Ti 5.98196152 0.03297296 2.03248571 -0.16944695 0.12555962 -0.08235379 Ti 4.00749823 2.01265510 1.94974247 -0.23924771 -0.29665484 0.52351703 Ti 0.04303480 3.96111877 0.04761243 -0.17440334 0.07038724 -0.20306593 Ti 2.00851547 5.95193142 0.02953158 -0.00181451 -0.05682649 0.05562268 Ti 1.98510317 3.95384037 1.94650548 0.24039747 0.36800329 0.41121654 Ti 0.01403009 5.94491330 2.00155095 0.20427463 -0.12194368 0.12233280 Ti 4.00967830 3.96943009 0.01633337 -0.10133658 0.32456892 -1.14081879 Ti 5.97143841 5.93741577 0.02773615 -0.36909551 -0.43139504 0.34260867 Ti 5.96520566 4.03520567 2.02161678 1.12541876 -0.35764894 -0.17171625 Ti 4.03442167 5.95781281 1.94536395 -0.43700415 0.94253369 0.30409195 Ti 0.04753725 0.04030101 3.99370210 -0.23215139 -0.11878594 -0.18218687 Ti 1.98575735 2.01455799 4.00151688 0.22475975 -0.16342547 -0.51903652 Ti 1.97206544 0.05727629 5.91558618 0.24509187 -0.17815608 0.24689712 Ti 0.02562345 2.02830059 5.92125137 -0.18528807 -0.01675694 0.32369213 Ti 3.97062014 0.03307128 3.94519506 0.14329481 -0.83219266 0.18394329 Ti 5.95007781 2.02282408 4.00768408 1.04094537 -0.39198675 -0.15034325 Ti 5.94488235 0.00969568 5.94412078 -0.65595373 0.64385466 -0.65041365 Ti 3.96458544 2.02110051 5.94304066 0.16858728 -0.41148079 1.16434838 Ti 0.02886580 3.94167250 3.97516863 -1.07475812 0.49211263 -0.11707562 Ti 2.01616703 5.91821542 4.00826338 -0.06421811 1.05772005 -0.51096943 Ti 1.99646226 4.01020216 5.94826250 -0.05425553 -0.10199117 1.25660317 Ti 0.03604613 5.92660444 5.92112274 0.35325091 -0.41992762 -0.44536377 Ti 3.96779246 3.93800097 3.97040528 0.08062278 0.57840965 -0.24811221 Ti 5.98292348 5.95989258 3.94200443 -0.21392624 -0.01502511 0.21608325 Ti 5.93056868 3.97809222 5.92509359 0.15713432 0.12919042 0.12453334 Ti 3.99609157 5.93534049 5.94638836 0.06777775 0.03885759 -0.08435347