4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=6.97758948135 stress="-5.865939905225892 -0.5664750409696596 -0.02140781387099915 -0.5664750409696596 -5.501469833851279 -0.5181075982701054 -0.02140781387099915 -0.5181075982701054 -5.71888796819483" pbc="F F F"
Ti       0.11042859       0.20947124      -0.14487149     -10.77692290     -12.41338510     -13.08428084 
Ti       1.55280714       1.41333883      -0.15344509      11.36154102       9.90059158      -4.87445953 
Ti       1.37241235      -0.17769156       1.41049160       6.39501447      -6.47655232       8.54180348 
Ti      -0.27713580       1.43858073       1.25205420      -6.97963259       8.98934584       9.41693688