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=52.08473692349367 stress="-0.006190074352302061 3.026627589169091e-06 0.00013923529792995976 3.026627589169091e-06 -0.0064211347961098675 1.5024011217352814e-05 0.00013923529792995976 1.5024011217352814e-05 -0.006094755059905296" free_energy=52.08473692349367 pbc="F F F" Ti 21.21005355 21.21211731 20.94968690 -7.37527049 -10.67349715 -15.63179640 Ti 22.62524129 22.65710459 20.99042854 6.92701086 -4.20963877 -14.30157789 Ti 22.14435048 20.97664413 22.63599647 7.44414807 -20.38205070 0.69957834 Ti 21.02201293 22.19628152 22.42534241 -18.85319866 8.36366657 3.27382511 Ti 23.98566276 20.81443107 21.04376171 -1.46819888 -10.25583465 -9.47045751 Ti 25.22051529 22.69273990 20.80722932 12.07553878 -10.46241115 -17.34870311 Ti 25.26172667 21.05332204 22.66532170 20.76815821 -18.88461453 -2.98709132 Ti 24.23110688 22.32280609 22.51283276 -8.02503833 3.37311152 -10.47190196 Ti 21.20071341 23.82858036 21.14720807 -22.48107875 -4.86269472 -24.47050245 Ti 22.58942344 25.45706424 21.27559981 7.00742036 21.75673158 -21.52233482 Ti 22.21321713 24.21736445 22.28604778 18.77860122 -14.95068879 13.24684985 Ti 21.20384132 25.29224623 22.23214964 -28.19370470 28.98141451 3.11154272 Ti 24.26049971 24.13227221 20.85444624 -6.92492719 2.84993733 -16.30970014 Ti 25.49188881 25.56482696 20.84620060 8.97372208 8.82070353 -5.98269350 Ti 25.51821382 23.70575425 22.29193689 20.02001760 8.26746690 6.33856364 Ti 24.15586213 25.40395547 22.33226600 3.66655362 13.73317370 8.84054963 Ti 20.73049600 21.12036030 23.95631248 -9.08293510 -6.36143701 9.39597595 Ti 22.74843919 22.64432661 23.76023492 -17.50896135 -8.05575730 3.25866131 Ti 22.74849743 21.25911890 25.69019325 -7.56574110 -12.96035234 7.67650350 Ti 21.19877714 22.89342026 25.63250256 -10.80262604 -5.12039289 7.23000268 Ti 23.85377669 21.05442580 23.85431870 -3.42419275 -20.76970286 7.88990557 Ti 25.28011711 22.63572127 24.05791531 17.94667530 -0.71735899 5.44478266 Ti 25.23387496 21.08501927 25.56603388 6.77782661 -7.21792862 6.08796823 Ti 23.77465805 22.66501753 25.72580078 4.74389743 5.90584916 15.30992860 Ti 20.92866320 24.18883157 23.77671562 -19.88304507 -5.95055825 5.54630038 Ti 22.28328857 25.44832183 24.25980354 3.87157272 20.33947268 -9.63873664 Ti 22.39866137 24.27143892 25.40295338 3.67289778 -4.35527304 18.30290612 Ti 21.10338854 25.74759167 25.61018303 -9.97636093 8.40370189 9.04803115 Ti 23.75261314 23.74663523 23.78248771 9.47832608 19.37226651 1.95324632 Ti 25.44857885 25.68843096 24.17061300 9.43474119 4.32674002 -3.06454243 Ti 25.79169807 23.67803623 25.44630638 7.97884684 4.86457724 8.76366504 Ti 24.03851086 25.64982991 25.24795387 1.99932459 6.83137865 9.78125133