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=-0.8582395658956885 stress="-26.293814388021588 2.0460840204177018 -4.355022092623113 2.0460840204177018 -36.32487291071424 -13.407046024982332 -4.355022092623113 -13.407046024982332 -34.2629408385559" pbc="F F F" Ti -0.14459490 0.11115480 0.11044915 -10.08982469 -18.62678619 -20.30098083 Ti 1.70960170 1.31143450 -0.16166483 7.16090659 4.84509762 -4.40112300 Ti 1.28829595 -0.16490224 1.64041416 8.76884118 -6.59849449 9.55157275 Ti -0.22187219 1.51878885 1.32834452 -5.83992308 20.38018306 15.15053108