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=1136.1279717461045 pbc="F T T" Tl -0.09965760 -0.11465984 0.00267376 81 -1183.44227055 1451.31596525 660.37799529 Tl 1.26651957 1.77734944 -0.23994917 81 2988.71133013 -2001.41258170 3506.24104906 Tl 1.70621318 -0.06037604 1.57347688 81 749.20472444 1476.15886040 -1405.97487128 Tl 0.07091274 1.68737067 1.62088653 81 -2554.47378402 -926.06224395 -2760.64417307