32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=52.8981424664 stress="-2.862181779812346 0.0845230971132184 0.03933632473497343 0.0845230971132184 -2.2557145062038884 -0.26427763627352807 0.03933632473497343 -0.26427763627352807 -2.515615432005836" pbc="F F F" Ti -0.14459490 0.11115480 0.11044915 -11.07072473 -9.63204780 -7.86510021 Ti 1.70960170 1.31143450 -0.16166483 10.30316649 19.09997153 -5.07667444 Ti 1.32198775 -0.16490224 1.64041416 5.70108832 -10.64601041 4.50465843 Ti -0.22187219 1.51878885 1.32834452 -6.13196389 12.90283389 10.90726459 Ti 2.90278341 -0.04105180 -0.07410960 4.90277122 -7.87134294 -0.58418673 Ti 4.56504129 1.17241380 -0.13449789 4.72363847 -1.17653044 -6.02909783 Ti 4.28802619 0.22277084 1.68584377 2.88824562 -15.63083901 -12.63892416 Ti 3.18362810 1.69581920 1.55268552 -26.35139187 -16.76609858 1.15389016 Ti 0.02519121 2.87804706 -0.14597521 -4.36501491 -4.41047841 -7.90214349 Ti 1.70996341 4.49207130 0.15300231 -6.44876638 9.06069579 -17.37688039 Ti 1.53848316 2.95774659 1.41852158 7.95015389 -19.19841195 8.99351913 Ti -0.04210664 4.38825682 1.27041603 -7.79627798 5.48046439 4.60490342 Ti 3.19178619 3.17895518 0.29140871 -18.23771905 -12.75799949 -32.97484349 Ti 4.61455359 4.30544553 0.02994876 11.79546220 6.24497093 -6.27475881 Ti 4.28091226 2.96745953 1.46603997 39.60726328 -8.05210398 1.66741174 Ti 2.86433559 4.32157598 1.51361598 -5.46253172 27.56649712 15.23323298 Ti -0.16607864 -0.10430594 3.26400130 -19.12501224 -14.86314593 -13.76480709 Ti 1.43745442 1.27846858 2.99451428 14.30775862 19.77682536 -18.72619688 Ti 1.34126820 -0.15859300 4.31668137 18.32888683 -8.82593193 4.15094709 Ti -0.08013605 0.94739505 4.59073906 -14.78709898 18.45634481 21.06572364 Ti 3.17305129 -0.06618674 3.12926466 -2.23964806 -12.39613827 -2.90865783 Ti 4.75978669 1.22592512 2.78504734 5.20059452 13.84096526 4.44612300 Ti 4.68365717 0.48475961 4.58343331 8.72371578 -2.45946535 8.37230433 Ti 2.79585403 1.44809454 4.72094491 -8.35451556 2.03400026 5.96912542 Ti 0.23171545 3.18190327 2.83184690 -7.47251702 -9.93035705 -0.24014673 Ti 1.71219253 4.42485375 3.12990665 -3.50410161 14.88368464 -11.66976341 Ti 1.26673789 3.28278197 4.56210000 -3.50587318 -23.45782837 9.31961939 Ti 0.13362859 4.32702941 4.67204550 -14.00071088 11.64176877 1.98762117 Ti 3.04852473 3.05473499 2.79354433 -10.62193156 -7.95830623 18.88308142 Ti 4.63661615 4.40480033 2.59623890 12.16000967 19.28154612 1.36995663 Ti 4.29869006 3.11041876 4.26735611 14.35299176 -7.56194240 10.43728330 Ti 2.83533445 4.24148635 4.58611608 8.53005292 13.32440969 10.96551565