16 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=-43.617376301509196 stress="-0.0008755915955838963 0.00010462301122117806 0.00011645540705810136 0.00010462301122117806 -0.0005757814552306425 -0.00023464949763894296 0.00011645540705810136 -0.00023464949763894296 -0.000669159395451804" pbc="F F F" Ti 20.91870436 21.04860922 21.20118821 -0.75642887 -0.35139487 -0.34880441 Ti 22.70960170 22.31143450 22.33833517 -3.94553375 3.54549810 3.42538868 Ti 23.78829595 20.83509776 21.14041416 2.60047512 -4.52104377 -3.54606145 Ti 25.27812781 22.79098848 22.26215777 4.84512461 -2.88063863 1.66992328 Ti 20.87679405 23.95894820 21.33392310 -2.95798489 -2.05176810 -1.51963865 Ti 22.56504129 25.20865944 22.36550211 -9.18774971 13.13864348 6.96037502 Ti 23.78802619 24.22277084 21.18584377 7.57114641 -4.35753439 -13.83871436 Ti 25.40955323 25.48086654 22.83050726 2.56576868 2.32272859 -1.09822793 Ti 21.26959405 21.17626233 24.05691201 -2.53158007 -1.21119040 -0.64774194 Ti 22.79339672 22.28792533 25.65300231 -1.36033245 2.72630981 4.31281865 Ti 23.98657770 20.95774659 24.13946649 1.88524388 -3.95116917 -2.77278268 Ti 25.45789336 22.38825682 25.50213148 1.37046117 1.78824046 0.44770053 Ti 21.19178619 24.17895518 24.29140871 -3.05441687 -1.68348484 -0.21695045 Ti 22.79645686 25.53253581 25.64904689 -3.16285886 2.17722498 2.80499745 Ti 23.78091226 24.10609294 23.96603997 1.81058359 -5.35935490 2.76587250 Ti 25.12781522 25.53376851 25.43846973 4.30808203 0.66893366 1.60184575