32 Lattice="40.80381774902344 0.0 0.0 0.0 40.80381774902344 0.0 0.0 0.0 40.80381774902344" Properties=species:S:1:pos:R:3:forces:R:3 energy=65.49571629260561 stress="-0.003920949299474037 0.00016432048080785558 -0.00011667306811734862 0.00016432048080785558 -0.003403518265999807 -0.0003069619268009676 -0.00011667306811734862 -0.0003069619268009676 -0.0037817018440250987" free_energy=65.49571629260561 pbc="F F F" Ti 20.28141312 20.49453787 20.49394983 -10.03031885 -8.41560207 -7.06077771 Ti 22.03385616 21.70205017 20.26718818 3.27088379 17.97162830 -8.46083124 Ti 21.71084453 20.26449034 21.99785768 3.18669593 -8.90729922 0.82506236 Ti 20.46597227 21.87484546 21.71614185 -4.33777276 12.34907826 22.32793801 Ti 23.02455376 20.36769904 20.47148869 1.18611535 -17.75681197 -0.71275579 Ti 24.71241972 21.66503373 20.28982730 6.99192869 0.97455743 -5.51322797 Ti 24.59710165 20.58755124 22.01405789 9.29923768 -15.52921153 -16.30433130 Ti 23.46949070 22.02237075 21.77027680 -22.33195223 -3.44445778 15.71716868 Ti 20.61151584 23.46335256 20.28026286 -2.67255230 -7.59666335 -12.06329255 Ti 22.03415759 24.76713924 20.52941080 -10.13249065 11.10933967 -17.80637649 Ti 21.82460625 23.28125611 21.79128939 12.11152641 -22.93515007 15.49249158 Ti 20.36682001 24.68062717 21.66786811 -3.94014095 6.15057138 5.79143350 Ti 23.47628911 23.46559660 20.64474947 -11.77291853 -6.07699052 -36.14789619 Ti 24.86920782 24.80085967 20.52611462 3.48548497 6.48035713 -1.86520053 Ti 24.59117337 23.40487807 21.83088806 37.60177707 -1.99943562 13.34976907 Ti 23.15478416 24.62505981 21.87053473 8.25131507 27.39410255 16.15598369 Ti 20.27856475 20.38163839 23.53646837 -4.75317950 -8.05590443 -8.86998371 Ti 21.80706676 21.67457856 23.31189585 9.97891799 19.51960612 -16.26414797 Ti 21.72691158 20.26802760 24.85587462 5.53495105 -3.21815950 1.37842635 Ti 20.33512883 21.64582597 24.84936238 -7.32188450 9.21943003 12.14798490 Ti 23.54330031 20.34675325 23.43425155 -8.82965438 -10.01355721 3.90124302 Ti 24.99023540 21.63079235 23.13734007 7.31931559 13.21992910 3.02321144 Ti 24.92679413 20.55809272 24.84327425 8.35233977 -2.66301401 4.45965561 Ti 23.14634564 21.81593353 24.95786725 -9.09976891 6.50795757 4.17237075 Ti 20.59500509 23.46805335 23.25274743 -15.69543879 -21.84583177 -22.80796172 Ti 22.03601519 24.71112461 23.42472283 -4.98489162 17.27732098 -9.76687511 Ti 21.57596987 23.55211893 24.82549649 5.54012487 -16.60820050 22.13582613 Ti 20.51326603 24.62960434 24.59823662 -15.40521631 19.22567654 7.37245629 Ti 23.35690456 23.36207978 23.24683120 -18.54415712 -17.98952322 -6.04621625 Ti 24.88759328 24.69441344 23.41933063 6.51812889 13.56558147 -11.97148121 Ti 24.60598821 23.40848292 24.57987658 16.96101947 -17.16409290 19.85554480 Ti 23.17924599 24.55831845 24.84550989 4.26257480 9.25476916 13.55478954