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=-14.046075274385087 stress="-0.3424124792273228 0.17203268673895242 0.000699826353548176 0.17203268673895242 -0.2798715590167797 -0.047197083511735266 0.000699826353548176 -0.047197083511735266 0.6241232157180742" free_energy=-14.046075274385087 pbc="T F F"
Ti       2.51777923       0.13616082       0.12968218       0.24176726       1.16030702       5.55496832 
Ti       1.60488128       1.79977655       0.18543805      -0.14254683      -2.29237906       5.55526533 
O       1.45460942       0.07327937       1.69989723       3.29359230      -7.66234731      -4.44899503 
O       0.12961200       1.37425859       1.65720406      -3.39281273       8.79441934      -6.66123863