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=49.469305722230565 stress="-0.00633437406487805 0.0003512035809441876 0.00022939446013165102 0.0003512035809441876 -0.005671313350502253 8.022625934348408e-05 0.00022939446013165102 8.022625934348408e-05 -0.006640198971344633" free_energy=49.469305722230565 pbc="F F F" Ti 20.92001865 21.20070203 20.70342959 -5.32958692 -7.23097207 -8.45263557 Ti 22.40085166 22.49793547 21.28187239 -7.65603487 -3.88515521 -28.36501064 Ti 22.51001192 20.98453339 22.60170120 8.98720198 -26.75819495 -14.02596437 Ti 20.87793365 22.21904386 22.50082602 -24.05291048 23.48930492 -19.04385494 Ti 24.24624097 21.14302402 20.85498893 -2.58479397 -11.26291400 -12.36338454 Ti 25.61042859 22.70947124 20.85512851 14.36333173 -8.06429669 -14.99056456 Ti 25.55280714 20.91333883 22.54645214 18.72892005 -5.01924383 -9.08848823 Ti 23.87241235 22.32230844 22.41049160 16.61801457 -9.82479167 8.44203786 Ti 20.72286420 24.06819272 20.75205420 -4.45792685 -0.90304768 -4.47201689 Ti 22.52914642 25.55988540 20.70245745 -1.22187637 4.41009562 -6.84629221 Ti 22.66431082 23.81425730 22.48844065 -31.20683426 12.35289206 5.56990275 Ti 21.03277713 25.39971974 22.53086542 -7.34262096 5.59195467 -2.12112971 Ti 23.96097674 23.78219307 21.21813893 -5.79057005 9.15315919 -34.78518519 Ti 25.26716069 25.69410236 20.83096497 3.61539429 4.50821850 -4.41819231 Ti 25.38201197 23.93300593 22.22002482 24.72952434 9.51526266 19.48574439 Ti 23.77696427 25.41661558 22.46512192 14.31044777 14.46742588 -13.56040540 Ti 21.22586561 21.29391194 23.72614529 -27.23637788 -38.20433367 21.26073470 Ti 22.52103145 22.27761356 24.18220204 19.55566157 25.39335123 -4.23925688 Ti 22.39362841 21.23573857 25.52724172 8.77438397 -22.86349717 24.54292928 Ti 20.77538150 22.20296332 25.34887301 -19.71991814 7.23602025 14.46287250 Ti 24.22083292 20.78984966 23.75300277 -10.32750488 -15.16068588 12.41601538 Ti 25.42299150 22.40698366 24.18107110 15.56874616 9.94827901 -10.57833110 Ti 25.32825321 21.13102478 25.59995250 13.90787981 -23.50243380 10.21380026 Ti 24.26120756 22.51193751 25.75226748 -16.18030309 14.82280113 13.70758777 Ti 20.96431997 23.92904101 24.07236142 -8.37488517 1.48570488 -3.17408412 Ti 22.70379337 25.73854596 23.76922180 -12.25328002 11.35605666 18.39323220 Ti 22.28229695 24.02031036 25.68745344 11.23014430 -7.72052173 7.60127261 Ti 21.02015752 25.37970777 25.77711528 -9.84314166 12.10895211 3.28333460 Ti 23.87871118 23.75213077 23.73125112 12.48527301 6.05870758 22.71758100 Ti 25.21824351 25.63616082 24.06197714 13.48161950 6.09106985 -10.60646116 Ti 25.62968218 24.21980528 25.79977655 12.34038277 -5.37545286 5.17173934 Ti 24.18543805 25.45460942 25.57327937 -15.11836026 7.78628501 13.86247318