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=52.084736923493615 stress="-458.6102286133559 0.2242367848261715 10.315664753034582 0.2242367848261715 -475.7290347741881 1.1130989430717761 10.315664753034582 1.1130989430717761 -451.54821287826366" pbc="F F F" Ti 0.21005355 0.21211731 -0.05031310 -7.37527049 -10.67349715 -15.63179640 Ti 1.62524129 1.65710459 -0.00957146 6.92701086 -4.20963877 -14.30157789 Ti 1.14435048 -0.02335587 1.63599647 7.44414807 -20.38205070 0.69957834 Ti 0.02201293 1.19628152 1.42534241 -18.85319866 8.36366657 3.27382511 Ti 2.98566276 -0.18556893 0.04376171 -1.46819888 -10.25583465 -9.47045751 Ti 4.22051529 1.69273990 -0.19277068 12.07553878 -10.46241115 -17.34870311 Ti 4.26172667 0.05332204 1.66532170 20.76815821 -18.88461453 -2.98709132 Ti 3.23110688 1.32280609 1.51283276 -8.02503833 3.37311152 -10.47190196 Ti 0.20071341 2.82858036 0.14720807 -22.48107875 -4.86269472 -24.47050245 Ti 1.58942344 4.45706424 0.27559981 7.00742036 21.75673158 -21.52233482 Ti 1.21321713 3.21736445 1.28604778 18.77860122 -14.95068879 13.24684985 Ti 0.20384132 4.29224623 1.23214964 -28.19370470 28.98141451 3.11154272 Ti 3.26049971 3.13227221 -0.14555376 -6.92492719 2.84993733 -16.30970014 Ti 4.49188881 4.56482696 -0.15379940 8.97372208 8.82070353 -5.98269350 Ti 4.51821382 2.70575425 1.29193689 20.02001760 8.26746690 6.33856364 Ti 3.15586213 4.40395547 1.33226600 3.66655362 13.73317370 8.84054963 Ti -0.26950400 0.12036030 2.95631248 -9.08293510 -6.36143701 9.39597595 Ti 1.74843919 1.64432661 2.76023492 -17.50896135 -8.05575730 3.25866131 Ti 1.74849743 0.25911890 4.69019325 -7.56574110 -12.96035234 7.67650350 Ti 0.19877714 1.89342026 4.63250256 -10.80262604 -5.12039289 7.23000268 Ti 2.85377669 0.05442580 2.85431870 -3.42419275 -20.76970286 7.88990557 Ti 4.28011711 1.63572127 3.05791531 17.94667530 -0.71735899 5.44478266 Ti 4.23387496 0.08501927 4.56603388 6.77782661 -7.21792862 6.08796823 Ti 2.77465805 1.66501753 4.72580078 4.74389743 5.90584916 15.30992860 Ti -0.07133680 3.18883157 2.77671562 -19.88304507 -5.95055825 5.54630038 Ti 1.28328857 4.44832183 3.25980354 3.87157272 20.33947268 -9.63873664 Ti 1.39866137 3.27143892 4.40295338 3.67289778 -4.35527304 18.30290612 Ti 0.10338854 4.74759167 4.61018303 -9.97636093 8.40370189 9.04803115 Ti 2.75261314 2.74663523 2.78248771 9.47832608 19.37226651 1.95324632 Ti 4.44857885 4.68843096 3.17061300 9.43474119 4.32674002 -3.06454243 Ti 4.79169807 2.67803623 4.44630638 7.97884684 4.86457724 8.76366504 Ti 3.03851086 4.64982991 4.24795387 1.99932459 6.83137865 9.78125133