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=-26.862580876214707 stress="-0.5692904813757432 -0.3410151331572876 0.20028572785083082 -0.3410151331572876 -0.41133029056293335 -0.39069317404089793 0.20028572785083082 -0.39069317404089793 0.17218862414861774" free_energy=-26.862580876214707 pbc="F T T"
Ti       0.01580069       0.06624738       2.84364938       3.36172149       0.04188054       0.06776859 
Ti       1.33581862       1.79531374       0.27239079       3.64921670      -9.73775102     -16.09567470 
O       1.77144498       2.92499023       1.29394831       7.55256380      12.90567575       8.19248816 
O       0.20159411       1.68055946       1.44550996     -14.56350199      -3.20980527       7.83541796