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=113.88425082 stress="-3.5346119638730467 -0.044722828726987456 0.10436945349257562 -0.044722828726987456 -3.7148683074086124 0.020831680190398688 0.10436945349257562 0.020831680190398688 -3.6448013339471226" pbc="F F F" Ti -0.01546661 0.10170120 -0.12206635 -9.96881361 -10.96466560 -9.62282698 Ti 1.21904386 1.48356292 0.24624097 15.33794733 0.87002646 -18.73181708 Ti 1.64302402 -0.14501107 1.61042859 11.51480322 -20.34083923 -6.22340561 Ti 0.20947124 1.35512851 1.55280714 -23.73494521 15.22835987 0.53362680 Ti 2.77399550 -0.15344509 -0.12758765 1.19522642 -8.27559883 -9.78093609 Ti 4.32230844 1.41049160 -0.27713580 11.16387578 -4.64618608 -6.21940254 Ti 4.43858073 -0.24794580 1.82578394 13.15608501 -12.35364574 -5.65038516 Ti 3.05988540 1.20245745 1.66431082 -7.84863934 12.37051342 -6.75444205 Ti -0.18574270 2.98844065 0.03277713 -19.55340618 -4.71848488 -16.33357386 Ti 1.39971974 4.37366136 -0.03902326 5.29875306 16.67798703 -25.21217266 Ti 1.28219307 3.21813893 1.26716069 21.18005784 -20.93757879 14.68025323 Ti 0.19410236 4.33096497 1.38201197 -27.32953684 24.52830449 5.58443361 Ti 2.90311716 2.72002482 -0.22303573 -1.16876108 4.65033455 -8.22334846 Ti 4.41661558 4.46512192 0.22586561 6.58534299 3.77190679 -6.90381412 Ti 4.79391194 2.72614529 1.52103145 12.58023135 14.39669057 -15.22466245 Ti 2.77761356 4.68220204 1.39362841 6.70302207 10.44322615 2.75146940 Ti 0.23573857 0.02724172 2.47758468 -24.87438791 -25.68238721 12.58003836 Ti 1.20296332 1.34887301 3.22083292 20.17036396 1.85967428 -12.56200958 Ti 1.28984966 -0.01264569 4.42299150 0.27238872 -15.35021804 16.10107687 Ti -0.09301634 1.68107110 4.32825321 -29.81273560 -11.11505644 19.15888826 Ti 3.13102478 0.09995250 3.26120756 -6.70077299 -26.72011066 -6.91938098 Ti 4.51193751 1.75226748 2.68187883 11.86472286 -9.61218152 17.15244205 Ti 4.54396501 0.07236142 4.70379337 14.66401674 -8.87764084 9.13741369 Ti 3.23854596 1.26922180 4.28229695 -6.38199417 21.61542925 21.33255502 Ti 0.02031036 3.04286775 3.02015752 -21.73239331 5.79561863 -13.38610179 Ti 1.37970777 4.77711528 2.87871118 2.72673720 14.21877736 6.21072618 Ti 1.25213077 2.73125112 4.21824351 24.26600783 8.49403651 20.06006962 Ti 0.13616082 4.26429260 4.62968218 -9.47917049 11.72508489 10.97272297 Ti 3.21980528 3.29977655 3.18543805 -12.27465179 -7.64819929 -8.38710740 Ti 4.45460942 4.57327937 3.09906871 11.65212647 15.23676216 -2.42345710 Ti 4.62961200 3.13661198 4.65720406 10.19343389 -2.42742624 11.29876683 Ti 2.61402943 4.38507600 4.79768454 0.33506578 7.78748696 11.00436103