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=93.3756733282714 stress="-0.006331769785597287 -0.00011016771594611834 -2.426141816203679e-06 -0.00011016771594611834 -0.006341170685678858 3.872480632968026e-05 -2.426141816203679e-06 3.872480632968026e-05 -0.005888549308030502" free_energy=93.3756733282714 pbc="F F F" Ti 20.81443107 21.04376171 20.72051529 -4.15005602 -3.20090178 -2.74077429 Ti 22.69273990 22.30722932 20.76172667 -11.36145288 8.87099890 -14.19616847 Ti 22.55332204 20.88436473 22.73110688 -4.02763637 -21.67018987 -7.16840770 Ti 20.99816022 22.51283276 22.70071341 -17.26768694 -10.74980249 -13.81882601 Ti 23.82858036 21.14720807 21.08942344 12.17585115 -24.78355039 -12.55477923 Ti 25.45706424 22.77559981 20.71321713 16.28987993 -4.99313068 -12.64358941 Ti 25.71736445 20.78604778 22.70384132 9.46023739 -5.44889848 -6.04984549 Ti 23.79224623 22.23214964 22.50041025 11.72818243 4.47010189 -1.43169443 Ti 21.25551247 23.85444624 20.99188881 -13.69136446 -6.48319179 -17.69889196 Ti 22.56482696 25.34620060 21.01821382 2.51972758 9.90702251 -13.42055217 Ti 22.20575425 23.96963223 22.65586213 5.75787603 9.96230382 -6.22961861 Ti 20.90395547 25.33226600 22.23049600 -13.22968287 14.37664614 4.13289595 Ti 24.12036030 23.69646139 21.24843919 -2.65559611 4.53851096 -2.67671200 Ti 25.64432661 25.26023492 21.24849743 7.44713229 11.91784507 -14.28512128 Ti 25.75911890 24.19019325 22.63076608 11.28729104 -4.14047487 2.10653272 Ti 23.93624431 25.63250256 22.39577433 1.83336494 11.83432034 3.61043242 Ti 21.05442580 20.85431870 23.78011711 -12.35125994 -11.31530047 6.69413936 Ti 22.63572127 22.55791531 23.73387496 -5.32572641 -5.00822835 15.60581161 Ti 22.29442548 21.06603388 25.50693356 2.13657859 -8.59698670 8.68396348 Ti 21.16501753 22.72580078 25.42866320 -15.72005076 -11.86465755 13.03575689 Ti 24.30777099 20.99955875 24.04313966 -2.25291204 -14.22142183 6.42704129 Ti 25.44832183 22.75980354 23.96667242 17.68285668 -4.82259971 -4.45025901 Ti 25.77143892 20.90295338 25.60338854 5.56014358 -3.94481787 4.92692862 Ti 24.24759167 22.61018303 25.42518197 -9.73157100 -14.54375439 14.60383269 Ti 20.74663523 23.71659427 23.94857885 -23.50245824 10.39571062 6.15709690 Ti 22.68843096 25.67061300 24.29169807 -12.55555801 25.62902709 -13.62957135 Ti 22.30748522 23.94630638 25.53851086 10.62227020 -4.08937772 18.49192892 Ti 21.14982991 25.24795387 25.32929456 -12.95031846 9.24990749 -0.24699182 Ti 23.78747849 23.89476746 23.91920623 7.79381764 8.31439844 -0.90139111 Ti 25.78095696 25.32464588 24.26008946 7.13279236 9.80934297 2.97658680 Ti 25.37675974 23.82230465 25.78460712 12.04679338 9.67470611 13.99738112 Ti 23.75346517 25.26772449 25.27715687 19.29853532 10.92644259 22.69286556