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:forces:R:3 energy=2023.3476719368196 stress="-349.13075187793737 75.23500510101738 -27.220176436755807 75.23500510101738 -250.9117879810195 25.251455548362983 -27.220176436755807 25.251455548362983 -338.3783492667018" pbc="F T F" Tl 0.17601240 0.17463105 0.28049536 -3537.63912070 -1558.87614039 -3655.39736265 Tl 1.71698202 1.24493625 0.01553223 1202.48079778 2841.48208871 -3540.38120867 Tl 1.45269815 0.28494404 1.29955647 6039.14079618 -5131.94586576 4779.15563729 Tl 0.21287572 1.25070234 1.65757955 -3703.98247327 3849.33991745 2416.62293403