32 Lattice="8.801687240600586 0.0 0.0 0.0 8.801687240600586 0.0 0.0 0.0 8.801687240600586" Properties=species:S:1:pos:R:3:forces:R:3 energy=-65.51673318608228 stress="-449.48550690870525 49.492699309860484 -33.43618443040347 49.492699309860484 -616.4566931105395 83.9735998024639 -33.43618443040347 83.9735998024639 -532.0075082016368" pbc="F F F" Ti -0.06344545 0.00450982 0.08356836 0.31514408 -0.97382947 -1.91267089 Ti 2.44803603 2.09150752 0.10570906 -27.25083101 16.85233981 -5.03917223 Ti 1.87851945 0.17083123 2.49282341 12.04358482 -32.17760646 -33.55479221 Ti -0.02476390 2.28493368 2.07366636 -7.66343506 6.19764408 2.75685910 Ti 4.36062224 0.20981190 -0.00138859 -1.88584993 -24.48332749 -20.59797492 Ti 6.63387351 2.12132546 0.15128863 26.80123955 21.43638013 -37.07448199 Ti 6.21904241 0.24165179 1.96290518 25.05489316 -43.42542611 43.76093287 Ti 4.60353166 2.41571327 1.98046246 -33.78422678 -43.79190599 81.75955978 Ti 0.20443618 4.42358800 -0.10911787 -5.99001866 -4.51136958 -13.01987933 Ti 2.37862413 6.60681219 -0.12915166 -19.08358992 3.36524277 -27.26468980 Ti 2.06318694 4.44848557 2.04254855 5.93366755 -21.93754730 12.78318915 Ti -0.07003922 6.25673001 2.14775454 -9.33443240 13.83141558 2.76780849 Ti 4.61332768 4.20207527 0.23713462 -4.21391415 61.11484876 -66.18425034 Ti 6.59873314 6.56659677 0.01532226 -0.49754930 -0.33850911 1.53850891 Ti 6.68299154 4.27806206 2.42407553 17.58038706 28.18697863 -29.89040398 Ti 3.97205098 6.40876528 1.98043157 33.83707730 16.26669800 33.15666106 Ti -0.05547940 0.19688401 4.51487897 -21.09834299 -14.12820808 -10.36175991 Ti 2.18809775 2.10079450 4.26430473 5.53295844 38.28483090 16.57916208 Ti 1.97149288 0.12170005 6.49090749 16.48008951 -12.41924494 11.24925173 Ti 0.05134771 2.14508410 6.47026784 -10.19453417 21.63622454 13.63460097 Ti 4.21285139 -0.03588519 4.45163835 7.22453086 -2.36790774 -1.94015398 Ti 6.68971081 2.42720862 4.33345728 3.90912128 -29.27063020 22.81372692 Ti 6.77829673 0.03446279 6.50213738 -1.69928404 1.52441513 -1.11027862 Ti 4.22789808 2.36471280 6.40011662 24.04390564 -22.02672435 1.53232861 Ti 0.10554993 4.57391584 4.61705879 -4.58035143 -18.44276377 -11.52425439 Ti 2.02819213 6.72752447 4.63676504 19.16836563 4.83248910 -20.52029752 Ti 2.35469227 4.24353436 6.73213982 -19.19162300 19.72129079 2.44549630 Ti 0.16085021 6.51734914 6.60899802 -14.21755930 8.53045466 26.37662256 Ti 4.75323696 4.55894096 4.45257710 -38.37156999 -16.75555453 5.94896285 Ti 6.43459026 6.61618289 4.34008031 18.83837416 25.89265098 -0.43307915 Ti 6.77900358 4.47067873 6.79012191 -1.23854915 -0.06186892 -0.29551118 Ti 4.18299400 6.75045054 6.70126559 3.53232222 -0.56147983 1.61997907