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=947.8403000132514 pbc="F F T" Tl 0.23514444 0.11699829 -0.15296563 81 -2379.28510689 -1532.38938820 741.54960545 Tl 1.23840781 1.45209969 0.24702485 81 3001.96322489 1610.10597415 -1207.73806345 Tl 1.45394254 -0.26229289 1.65750493 81 1244.68714272 -474.56198184 -1071.12048462 Tl 0.03957263 1.49673540 1.44411827 81 -1867.36526071 396.84539588 1537.30894262