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=1238.687210591147 stress="-173.6870967373972 21.374594926961226 -26.68136237517197 21.374594926961226 -195.7707688780742 82.08814637273487 -26.68136237517197 82.08814637273487 -227.86860733925803" pbc="T F T" Tl 0.01685337 0.25119884 -0.24468061 1441.85076505 -3013.79018774 1948.81293311 Tl 1.76617782 1.40875918 0.18283365 -1882.51523294 1652.12403210 -737.18632603 Tl 1.57388661 0.15655045 1.52719116 -834.53313201 -1355.38551749 -65.21052085 Tl -0.12819067 1.44554213 1.58086413 1275.19759991 2717.05167313 -1146.41608623