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=549.0917775586954 stress="-91.89379798918104 -26.370870446735672 6.734875577224228 -26.370870446735672 -136.00175585571236 -0.22702762641843163 6.734875577224228 -0.22702762641843163 -48.83257313461595" pbc="T T F" Tl -0.25212154 0.03576301 0.21905645 1025.65225360 545.14493802 -505.98723548 Tl 1.57576076 1.64842286 0.08738059 -824.78247841 -504.77824919 -312.69654330 Tl 1.66482438 0.21486828 1.77097048 -1208.36531445 -149.61466843 497.88523108 Tl -0.26153275 1.69029243 1.79209915 1007.49553926 109.24797959 320.79854771