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=9.167030095538365 stress="-0.9304122047601522 0.3774127056829658 -0.029233118628937863 0.3774127056829658 -0.7681017926651145 0.01371276342360703 -0.029233118628937863 0.01371276342360703 -1.5485537726748262" free_energy=9.167030095538365 pbc="F F T"
Ti       0.09738049       0.22747435       2.81653723      -7.13879903      -6.95022066      -0.22771113 
Ti       1.22223741       1.20996932       0.09211109       3.59531103       3.86949080       0.02458981 
O       1.61112250       0.24957118       1.25154873      14.83312861     -10.71874482       0.52943176 
O       0.21931608       1.47200325       1.51621297     -11.28964061      13.79947468      -0.32631044