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=353.02306019064673 stress="-0.015247729692841471 -0.00024275980886578563 -0.00038234099356440924 -0.00024275980886578563 -0.016603966550599685 -0.0007213358776579276 -0.00038234099356440924 -0.0007213358776579276 -0.015990860339184503" free_energy=353.02306019064673 pbc="F F F" Ti 21.23110688 20.99816022 21.01283276 -6.38060176 -12.60856471 -9.09572842 Ti 22.73998160 22.55868081 21.14720807 -7.56189080 -28.17977838 -31.05474765 Ti 22.58942344 20.95706424 22.87126669 -14.01277386 -22.32025069 -10.64214009 Ti 20.71321713 22.71736445 22.28604778 -17.79692515 -12.31809580 0.81159417 Ti 24.32913114 20.79224623 20.73214964 -6.69408569 -12.65239611 -15.59388938 Ti 25.50041025 22.75551247 20.85444624 24.39810291 -10.12035886 -19.07318640 Ti 25.49188881 21.06482696 22.46653233 47.51742197 -47.21257564 -13.02276336 Ti 24.19650330 22.20575425 22.46963223 -30.31474734 27.41097092 -19.48399599 Ti 21.15586213 24.11578437 20.83226600 -38.85648154 -25.20870030 -26.59804738 Ti 22.02351424 25.62036030 20.95631248 19.93652836 51.36065095 -33.00679452 Ti 22.74843919 24.14432661 21.99265477 -31.49650820 -10.86125701 40.01915021 Ti 21.24849743 25.75911890 22.69019325 -43.76566246 38.91035510 -21.68962039 Ti 24.19877714 24.18136691 21.13250256 3.71789448 6.28249150 -61.94392849 Ti 25.60031152 25.55442580 20.85431870 15.36376373 17.29088846 -9.51096282 Ti 25.28011711 24.14701358 22.55791531 52.46020015 -27.06541178 -32.05345825 Ti 23.73387496 25.58501927 22.57862170 10.14203620 51.01931182 -2.77983912 Ti 21.00693356 21.16501753 24.39491416 -20.33837173 -37.22303698 -20.95268366 Ti 22.23320420 22.81248904 23.95544613 32.91223892 -22.30207936 -15.69850879 Ti 22.49611479 20.79514058 25.75980354 6.14110315 -8.30931650 14.02634928 Ti 20.96667242 22.64037990 25.40295338 -23.63144842 18.82478607 43.57102137 Ti 24.10338854 21.24759167 24.15755434 -45.32258519 -68.47636443 -0.12617322 Ti 25.42518197 22.24663523 23.98702489 90.26441748 13.67324647 -19.07513712 Ti 25.44857885 21.18843096 25.67061300 39.58523506 -42.96212343 33.30252252 Ti 24.29169807 22.46863002 25.44630638 -68.86819085 8.24470065 70.56728420 Ti 21.03851086 24.14982991 23.74795387 -69.90033906 -19.02009771 -13.92214965 Ti 22.32929456 25.28747849 23.92715530 65.45191113 45.19615359 -16.54077781 Ti 22.37993804 24.28095696 25.32464588 46.57813072 -63.06095440 61.41612874 Ti 21.26008946 25.37675974 25.32230465 -73.14641793 61.69761951 46.05895824 Ti 24.28460712 23.75346517 24.01177411 -81.87286797 -12.20244205 -38.46287329 Ti 25.27715687 25.24014891 23.80009584 45.88281580 76.05872802 18.52931482 Ti 25.32743118 23.79546282 25.20940621 91.34186313 23.44236110 65.52257309 Ti 24.11893942 25.22956938 25.33885520 -11.73376523 42.69153995 36.50250916