32 Lattice="58.07672309875488 0.0 0.0 0.0 58.07672309875488 0.0 0.0 0.0 58.07672309875488" Properties=species:S:1:pos:R:3:forces:R:3 energy=-112.04666666489882 stress="9.547394099410636e-05 -2.087966766550051e-05 4.169558988232084e-06 -2.087966766550051e-05 7.995017314708076e-05 2.1781984184183024e-05 4.169558988232084e-06 2.1781984184183024e-05 9.094832721585428e-05" pbc="F F F" Ti 29.04670482 29.02547271 29.12311255 0.36775014 0.42941269 0.85383813 Ti 31.01080827 30.87840011 29.03904990 0.70396662 0.88462329 -0.74802569 Ti 31.31773104 29.15754823 30.99168768 -0.85806123 -0.74613035 0.82142950 Ti 29.13038538 31.28708960 30.99180399 -1.03501090 -0.90015634 0.72346562 Ti 33.23070486 28.96614391 29.15856109 -0.51922005 -0.03595237 -1.09050470 Ti 35.14015865 30.96445393 28.84765177 -0.21093951 0.69675999 0.44462810 Ti 35.17233452 28.98717882 30.90590873 0.12138299 0.74006542 1.36837864 Ti 33.31577210 31.16243473 30.86457811 0.08960329 0.70023029 1.50554143 Ti 29.17528724 33.03191333 29.00382146 0.30619331 0.57911643 0.14943686 Ti 30.89168049 35.17730071 28.93307935 0.51910941 -0.70263760 1.21624592 Ti 31.08001085 33.00519314 31.29431267 0.50053341 1.29591243 -0.26003757 Ti 28.84432879 35.42261956 30.97166771 1.23609027 -1.38973139 0.43632028 Ti 32.85300794 33.01038244 28.80504890 0.30546890 0.47525152 0.80020558 Ti 35.07500448 35.10735682 29.22792430 -1.01137524 0.67906491 -1.21820842 Ti 35.44908894 33.43162553 30.88431798 -0.20161231 -2.63396370 1.80823781 Ti 33.20422512 34.94919636 31.26436527 -0.78050543 0.39465517 -0.43949720 Ti 29.12476318 29.41157479 33.16747276 -1.04759879 -1.28498961 -0.14186106 Ti 30.92534815 30.86499967 33.06075975 2.29202357 2.08909179 1.25637639 Ti 31.29655766 28.86323626 35.38125001 -0.34619741 1.31742000 -0.77195194 Ti 28.97418780 31.02704040 35.41176018 0.65575613 0.06635524 -0.75106020 Ti 33.04357659 29.02827552 33.26999266 1.07876400 0.56028229 -0.39898301 Ti 35.47854056 31.10301493 33.39692182 -0.54821116 -0.02099513 -1.32065233 Ti 35.23113424 29.07499905 35.32116878 -0.93840111 0.66690482 -0.80117730 Ti 33.35652672 31.31131853 35.06855243 -1.25293983 -1.17843528 0.55761838 Ti 28.85694234 33.40464838 33.34291011 -0.07384499 -1.11977390 -1.66737152 Ti 31.12932817 35.17896818 33.41762831 -0.52654565 0.31301952 -0.97967759 Ti 30.85840911 32.98014122 35.03691020 0.90334515 -0.11068944 0.48550328 Ti 28.80356448 35.37433495 35.06444476 0.83948664 -0.18805130 0.02150233 Ti 33.23255274 33.36986998 33.43651270 -0.28852087 -1.91382836 -2.60819143 Ti 35.41539930 35.21109441 33.24776505 -0.49128366 -0.21644078 -0.82744822 Ti 35.27280784 33.29470891 35.15608309 1.07095801 -0.76092288 0.48689007 Ti 33.31770230 35.06557465 35.16509760 -0.86016368 1.31453263 1.08902987