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=1806.2601674289863 pbc="F T F"
Tl       0.30179493       0.26258603      -0.20690874       81    -942.26435462    -587.60130461    -684.46216286 
Tl       1.27316984       1.69874981       0.25502593       81    4718.58392758    1522.13174784   -4395.56548926 
Tl       1.30002744       0.22742795       1.71769300       81    3465.91310119   -3851.19570099    1141.91694052 
Tl       0.28015694       1.43387909       1.45904659       81   -7242.23267415    2916.66525776    3938.11071160