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:Z:I:1:forces:R:3 energy=2044.7368621029643 pbc="T T F" Tl -0.04508344 0.22160004 0.18501872 81 1344.93983242 -2431.22102693 -2048.12978153 Tl 1.71539199 1.51394370 0.12815540 81 -6361.26140874 996.24822785 -6263.83858982 Tl 1.63867706 0.32880961 1.55183762 81 -1552.59734855 -1636.30434866 1398.63558508 Tl -0.18342772 1.56047636 1.21977317 81 6568.91892487 3071.27714773 6913.33278627