32 Lattice="58.41694450378418 0.0 0.0 0.0 58.41694450378418 0.0 0.0 0.0 58.41694450378418" Properties=species:S:1:pos:R:3:forces:R:3 energy=-120.88823908165749 stress="6.854503211916654e-05 4.085957367512518e-06 -1.7264895743377725e-05 4.085957367512518e-06 4.131095210686474e-05 -3.7742136163313907e-06 -1.7264895743377725e-05 -3.7742136163313907e-06 5.098254679123757e-05" pbc="F F F" Ti 29.08797650 29.30110125 29.30051321 0.75450928 0.25502551 0.27175630 Ti 31.46945978 31.13765379 29.07375156 -0.63148343 0.75902031 0.94977760 Ti 31.11837166 29.07105372 31.41180350 0.34331157 0.81879497 -0.12268995 Ti 29.02357876 31.31044907 31.15174546 0.94943272 0.19701586 0.71235227 Ti 33.27843952 29.20233891 29.37730051 0.35717027 0.08893874 0.68667622 Ti 35.52163167 31.05200789 29.09639068 -0.83539115 0.62466393 0.84282014 Ti 35.31244355 29.39411462 31.44966150 0.13340269 -1.18264463 -1.70570799 Ti 33.53413456 31.45797437 31.41716677 -1.37432595 -1.06528413 -0.53412179 Ti 29.43313396 33.52799642 29.33578313 -0.56218741 -1.75219764 -1.45426769 Ti 31.46976120 35.27158143 29.33597418 -0.27038371 1.04129625 -0.86595341 Ti 31.32686100 33.34589997 31.12764457 -0.18058270 -1.50563428 1.91666614 Ti 29.17338339 35.25878343 31.10347172 0.30721507 1.09024175 1.09240974 Ti 33.54093297 33.53024046 29.45131284 -0.60947158 -1.88476015 -2.00888412 Ti 35.56289192 35.28325741 29.33267800 -0.12413418 0.42121813 0.11818607 Ti 35.28485747 33.46952193 31.26649168 1.90966521 -0.81359178 0.92618799 Ti 33.21942802 35.31874391 31.30613835 0.94316746 1.54724134 1.03095641 Ti 29.07007339 29.18820176 33.43386053 0.33392617 0.37749113 -0.29510435 Ti 31.17601926 31.11018218 33.54379140 0.45759401 0.78363662 -0.52858341 Ti 31.16251520 29.07459098 35.54955872 0.35455851 0.36269121 -0.62837970 Ti 29.14169221 31.08142959 35.54304648 0.49066636 0.71092870 -0.40497031 Ti 33.60794417 29.15331663 33.49055214 -1.34047264 0.36693263 0.47567493 Ti 35.67103066 31.06639597 33.20198393 -0.00233794 1.96037731 1.59145395 Ti 35.62047823 29.37754494 35.53695835 -0.50404950 0.46971626 -0.47881743 Ti 33.29574051 31.14981519 35.65155135 0.05680246 0.48687975 -0.86189590 Ti 29.16743835 33.53269721 33.23332864 0.78505327 -0.76500592 0.45624339 Ti 31.47161881 35.40480871 33.48936669 -0.89786650 -0.08843692 -0.64697552 Ti 31.11329545 33.61676279 35.63836727 0.68123138 -2.39875927 -0.50743845 Ti 29.31982941 35.32328844 35.52605084 -0.57901684 0.62721895 -0.55252760 Ti 33.42154842 33.42672364 33.31078672 -0.73475945 -0.90105579 1.00020966 Ti 35.58127738 35.26725498 33.37079751 -0.61864091 0.84444316 -0.86873682 Ti 35.47423168 33.47312678 35.15283444 -0.39380791 -1.52788308 0.63308527 Ti 33.24388985 35.25200255 35.58319994 0.80120536 0.05148110 -0.23940163