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=104.86816410329394 pbc="T F F" Tl 0.28510958 -0.21671726 -0.19387356 81 -245.87869073 -114.85548240 -309.53059695 Tl 1.24797748 1.72307973 -0.21644039 81 82.00945400 104.76556571 -95.35782201 Tl 1.49939760 -0.07240047 1.33017992 81 254.00876556 -107.94822732 296.06022308 Tl 0.09789772 1.49772303 1.59549877 81 -90.13952883 118.03814402 108.82819588