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=96.30304868728932 stress="-10.477722330363818 4.849169616528364 -2.985139862871687 4.849169616528364 -18.28645461144618 -0.13215345975687906 -2.985139862871687 -0.13215345975687906 -7.659466429186137" pbc="F T F" Ti 0.04737131 0.03238783 0.24404962 -74.47448445 -109.41046259 -109.60297292 Al 1.36810690 1.39130086 0.09119645 59.15349291 40.31295128 -34.20457635 Ti 1.29640878 0.21456242 1.77913633 182.33733537 -174.24910004 95.36144458 Al 0.18492541 1.33178173 1.38323780 -167.01634383 243.34661136 48.44610469