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=-1.87824355845 stress="2.140073610858951 0.27446637231503973 -0.1767038024834504 0.27446637231503973 1.771051518508388 0.09663907357596428 -0.1767038024834504 0.09663907357596428 1.5542526243202488" pbc="F F F" Ti -0.08338442 -0.03487808 0.22586561 3.20827830 2.78805484 2.21413864 Ti 1.79391194 1.22614529 0.02103145 -3.45293055 -1.78956911 2.86516051 Ti 1.27761356 0.18220204 1.39362841 -2.13079148 2.46876106 -2.92333459 Ti 0.23573857 1.52724172 1.27538150 2.37544373 -3.46724679 -2.15596455