32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=37.94109816385576 stress="-0.0045738028091635635 -5.8975793911830933e-05 1.8507062663385376e-05 -5.8975793911830933e-05 -0.004304777537877889 -2.077827292259643e-05 1.8507062663385376e-05 -2.077827292259643e-05 -0.004606671113916176" free_energy=37.94109816385576 pbc="F F F" Ti 20.85540510 21.11115480 21.11044915 -4.91913681 -8.16013067 -7.36781590 Ti 22.74329349 22.31143450 20.83833517 -2.16866931 3.02843125 -10.23233306 Ti 22.28829595 20.83509776 22.66640352 3.00606066 -9.72994981 -1.24730593 Ti 20.77812781 22.51878885 22.05164101 -9.56059144 2.89299513 2.49343280 Ti 23.84054841 20.95894820 21.20259391 0.18048143 -12.03185735 -6.21790922 Ti 25.56504129 22.11449487 20.86550211 8.27975610 1.29377283 -9.54122298 Ti 25.28802619 21.22277084 22.68584377 7.75523088 -12.89440867 -4.97218449 Ti 24.18362810 22.69581920 22.40244725 -5.80477855 -5.16086836 2.34023664 Ti 21.26959405 24.17626233 20.85402479 -6.17915742 -6.22884669 -13.46484222 Ti 22.41174813 25.49207130 21.15300231 5.16350625 12.22676232 -10.19236719 Ti 22.53848316 23.95774659 22.71726984 0.12460129 -7.01838563 -1.23618974 Ti 20.95789336 25.38825682 22.04332575 -12.95078292 11.68890211 3.95612470 Ti 24.07268805 24.17895518 21.29140871 -2.83945086 -2.29270653 -20.43213492 Ti 25.61455359 25.53253581 21.14904689 7.20895786 8.26750469 -7.03977845 Ti 25.28091226 24.10609294 22.32740656 19.50035914 -3.34225683 -0.69309344 Ti 23.86433559 25.32157598 22.51361598 -1.52165169 19.34476627 1.97752754 Ti 20.85198705 20.97567541 24.06329927 -13.34161937 -8.21326988 -2.89681489 Ti 22.18391079 22.27846858 23.97644859 4.84138288 5.17148778 -1.10491774 Ti 22.34126820 20.84140700 25.31668137 4.59999358 -10.48112577 9.11624200 Ti 20.91986395 22.24396547 25.59073906 -8.02119896 5.50057374 9.04321475 Ti 24.27219963 20.93381326 24.13132919 -5.77121098 -9.17370315 3.19269004 Ti 25.75978669 22.22592512 23.78504734 13.61638053 6.37011963 4.91533851 Ti 25.68365717 21.20288723 25.58343331 4.46855769 -2.66278747 7.47513979 Ti 23.71587268 22.64879657 25.72094491 0.56720745 -2.53003783 7.41237927 Ti 21.23171545 24.18190327 23.52526456 -15.09181425 -1.80140953 5.73603739 Ti 22.61304419 25.42485375 24.12990665 -0.34375238 15.26142587 -2.88396370 Ti 22.28013997 24.28278197 25.56210000 -0.50575003 -9.53783881 9.58661947 Ti 21.13362859 25.32702941 25.57034430 -12.09353853 7.89534465 5.36916163 Ti 24.33039712 24.05473499 23.91561068 -4.09961473 -6.84211731 4.04252333 Ti 25.63661615 25.40480033 23.88720696 10.65396494 12.19204491 0.50365966 Ti 25.29869006 24.11041876 25.26735611 11.79367843 -3.93793743 11.49999972 Ti 23.83533445 25.24148635 25.58611608 3.45259914 10.90550653 10.86254660