16
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=-23.9821839213 stress="-0.04608628840053603 0.021276247808238887 0.018568622475193444 0.021276247808238887 0.03968855861836822 0.05199888430727786 0.018568622475193444 0.05199888430727786 -0.016044910573050724" pbc="F F F"
Ti       0.01980137      -0.03759768      -0.08338442       0.68411335       1.34418720       0.24348229 
Ti       1.41973134       1.72586561       1.79391194      -0.28155575      -0.70055862      -0.93679347 
Ti       2.79942466       0.02103145      -0.22238644      -0.31809943       1.36819422       1.39499021 
Ti       4.68220204       1.39362841       1.93563580      -0.68173573      -0.73040677       0.14864000 
Ti       0.15685371       2.64964009      -0.29703668       0.57348771      -0.67450794       0.05052452 
O       1.34887301       4.72083292       1.28984966       0.96804192       0.24540688      -0.22570039 
Ti       2.98735431       2.92299150      -0.09301634      -0.56963237      -1.11879059       0.10763824 
O       4.44671956       4.21332922       1.92870933       0.57778587       0.65817049      -1.02628950 
O       0.08268940       0.12186422       3.01193751       0.04506908       0.32474328      -0.17156552 
O       1.75226748       1.46431997       4.54396501      -1.26370194      -2.05695217       2.29031033 
Ti       3.07236142       0.20379337       3.23854596       1.04410606       0.66022301      -0.55086718 
O       4.26922180       1.28229695       4.52031036       1.82493712      -0.10731412       0.48957788 
O       0.18745344       3.02015752       3.05060388      -1.04074832      -0.35126826      -0.43979637 
Ti       1.77711528       4.37871118       4.25213077      -1.69618760       1.12635450       1.21325038 
O       2.73125112       2.71824351       3.13616082      -0.77489779       1.04618301      -2.45096879 
O       4.26429260       4.62968218       4.71980528       0.90901781      -1.03366412      -0.13643263