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=-1.026219986208551 stress="-0.987805192881273 0.4196303547234192 0.06822840768145669 0.4196303547234192 -0.66922716633136 0.04507275064398942 0.06822840768145669 0.04507275064398942 0.63948592733605" free_energy=-1.026219986208551 pbc="T F T"
Ti       0.32311799       0.26876933       2.47752325      -0.65638523       0.05020712       1.12334912 
Ti       1.16814976       1.32674669       2.68778571       0.33913436       0.46161333       0.09730470 
O       1.37993804       0.28095696       1.39719965      10.98767776     -16.56123792      -0.02971539 
O       0.26008946       1.37675974       1.33359697     -10.67042689      16.04941747      -1.19093843