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=-10.8807135217 stress="-0.5080342485457778 -0.86446295123548 -1.1486802924190997 -0.86446295123548 -0.23582104515000313 0.08968455918076478 -1.1486802924190997 0.08968455918076478 -1.4377053866338017" pbc="F F F" Ti -0.24181915 0.09119645 -0.20359122 -5.13455203 -1.41698413 -4.98589385 Al 1.66662249 1.77913633 -0.14736324 0.38968778 2.00510757 -0.53619633 Al 1.52493250 -0.16821827 1.38323780 1.26918283 0.72528591 4.41491973 N -0.23807589 1.46490969 1.16161567 3.47568142 -1.31340936 1.10717044