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=12.888118427700586 stress="-53.766375752476435 7.530424245096652 -4.237195029219841 7.530424245096652 -58.129586491331786 2.4365583091161085 -4.237195029219841 2.4365583091161085 -48.06669742827573" pbc="F F F" Ti -0.08338442 -0.03487808 0.22586561 -18.72826316 -14.60453980 -18.80775606 Ti 1.79391194 1.22614529 0.02103145 14.56286336 11.44543561 -19.93297528 Ti 1.27761356 0.18220204 1.39362841 24.08954134 -28.81827670 28.11684641 Ti 0.23573857 1.52724172 1.27538150 -19.92414155 31.97738088 10.62388494