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=666.5238005576145 pbc="T F T" Tl -0.03785491 -0.00125906 0.28312270 81 -294.23691214 -1401.28701659 -1505.21874346 Tl 1.33842672 1.53196183 0.11842243 81 356.26721166 441.76305384 -307.08849113 Tl 1.40869946 0.04191848 1.53206539 81 599.62956953 -857.97402241 524.75355839 Tl 0.01782358 1.24660808 1.50558467 81 -661.65986905 1817.49798516 1287.55367620