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=1.47625826539 stress="0.8200489100848587 0.08371615512565397 -0.08207484657819458 0.08371615512565397 0.7280241012853417 -0.06755599444196776 -0.08207484657819458 -0.06755599444196776 0.755526814984456" pbc="F F F" Ti -0.17769156 -0.08950840 -0.27713580 1.44754148 1.36920904 1.05377231 Ti 1.43858073 1.25205420 0.15488783 -2.32786247 -1.95063562 1.80443010 Ti 1.55988540 -0.29754255 1.66431082 -0.68682331 1.51820583 -1.39903212 Ti -0.18574270 1.48844065 1.53277713 1.56714430 -0.93677925 -1.45917029