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=17.940738310645838 pbc="F T F" Ti 0.08343331 -0.14204597 -0.05190546 22 -24.06855408 2.57466968 -20.65395228 Ti 1.72094491 1.73171545 0.18190327 22 22.98082595 -6.26893988 -20.60532143 Ti 1.32183498 0.21219253 1.42485375 22 41.24098548 -22.17819727 20.49740915 Ti 0.12990665 1.28220450 1.78278197 22 -40.15325735 25.87246747 20.76186456