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:Z:I:1:forces:R:3 energy=-15.2328238991 pbc="F F T" Ti -0.00220281 -0.09603011 -0.03487808 22 -6.26571849 -2.02498191 1.76485398 Ti 1.72586561 1.79391194 -0.27385471 22 1.07108691 0.60827911 1.28442376 Ti 1.52103145 -0.22238644 1.60519354 22 5.79926962 -0.28131989 -1.26628783 Ti -0.19938793 1.56399178 1.65826650 22 -0.60463697 1.69802256 -1.78299002