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=31.989884474620258 pbc="T F F" Pb 0.28136508 0.01193751 0.25226748 82 -2.96513686 -13.62791410 -11.68370931 Pb 1.34402775 1.54396501 0.07236142 82 0.71490505 14.12710187 -13.41501861 Pb 1.58250455 0.23854596 1.26922180 82 1.08130878 -12.35636468 12.01173798 Pb -0.21770305 1.52031036 1.68745344 82 1.16892303 11.85717691 13.08698994