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=477.0931330014189 stress="-49.65740646961668 0.8851665578448847 -4.748517170066541 0.8851665578448847 -107.96650958008775 14.420806096559772 -4.748517170066541 14.420806096559772 -76.2804235626029" pbc="F F T" Tl 0.07783931 0.18871499 -0.21306734 -362.31901626 -1220.20437052 1015.77575338 Tl 1.64945326 1.53420509 -0.24735872 499.74428653 864.39443786 791.35902136 Tl 1.71935034 0.05626211 1.68806473 329.86437047 -820.87211002 -699.58251326 Tl 0.04815990 1.58529849 1.70431728 -467.28964075 1176.68204267 -1107.55226148