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=37.94109816385589 stress="-338.86390252531055 -4.369398619339616 1.3711512586050318 -4.369398619339616 -318.932358226297 -1.539420684289638 1.3711512586050318 -1.539420684289638 -341.29904948782166" pbc="F F F" Ti -0.14459490 0.11115480 0.11044915 -4.91913681 -8.16013067 -7.36781590 Ti 1.74329349 1.31143450 -0.16166483 -2.16866931 3.02843125 -10.23233306 Ti 1.28829595 -0.16490224 1.66640352 3.00606066 -9.72994981 -1.24730593 Ti -0.22187219 1.51878885 1.05164101 -9.56059144 2.89299513 2.49343280 Ti 2.84054841 -0.04105180 0.20259391 0.18048143 -12.03185735 -6.21790922 Ti 4.56504129 1.11449487 -0.13449789 8.27975610 1.29377283 -9.54122298 Ti 4.28802619 0.22277084 1.68584377 7.75523088 -12.89440867 -4.97218449 Ti 3.18362810 1.69581920 1.40244725 -5.80477855 -5.16086836 2.34023664 Ti 0.26959405 3.17626233 -0.14597521 -6.17915742 -6.22884669 -13.46484222 Ti 1.41174813 4.49207130 0.15300231 5.16350625 12.22676232 -10.19236719 Ti 1.53848316 2.95774659 1.71726984 0.12460129 -7.01838563 -1.23618974 Ti -0.04210664 4.38825682 1.04332575 -12.95078292 11.68890211 3.95612470 Ti 3.07268805 3.17895518 0.29140871 -2.83945086 -2.29270653 -20.43213492 Ti 4.61455359 4.53253581 0.14904689 7.20895786 8.26750469 -7.03977845 Ti 4.28091226 3.10609294 1.32740656 19.50035914 -3.34225683 -0.69309344 Ti 2.86433559 4.32157598 1.51361598 -1.52165169 19.34476627 1.97752754 Ti -0.14801295 -0.02432459 3.06329927 -13.34161937 -8.21326988 -2.89681489 Ti 1.18391079 1.27846858 2.97644859 4.84138288 5.17148778 -1.10491774 Ti 1.34126820 -0.15859300 4.31668137 4.59999358 -10.48112577 9.11624200 Ti -0.08013605 1.24396547 4.59073906 -8.02119896 5.50057374 9.04321475 Ti 3.27219963 -0.06618674 3.13132919 -5.77121098 -9.17370315 3.19269004 Ti 4.75978669 1.22592512 2.78504734 13.61638053 6.37011963 4.91533851 Ti 4.68365717 0.20288723 4.58343331 4.46855769 -2.66278747 7.47513979 Ti 2.71587268 1.64879657 4.72094491 0.56720745 -2.53003783 7.41237927 Ti 0.23171545 3.18190327 2.52526456 -15.09181425 -1.80140953 5.73603739 Ti 1.61304419 4.42485375 3.12990665 -0.34375238 15.26142587 -2.88396370 Ti 1.28013997 3.28278197 4.56210000 -0.50575003 -9.53783881 9.58661947 Ti 0.13362859 4.32702941 4.57034430 -12.09353853 7.89534465 5.36916163 Ti 3.33039712 3.05473499 2.91561068 -4.09961473 -6.84211731 4.04252333 Ti 4.63661615 4.40480033 2.88720696 10.65396494 12.19204491 0.50365966 Ti 4.29869006 3.11041876 4.26735611 11.79367843 -3.93793743 11.49999972 Ti 2.83533445 4.24148635 4.58611608 3.45259914 10.90550653 10.86254660