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=63.93780636011495 stress="-3.7757815509132517 0.016566726943547178 -0.008660971183837586 0.016566726943547178 -3.7037478817127947 -0.014649741255317303 -0.008660971183837586 -0.014649741255317303 -3.475846601105781" pbc="T T T" Pb 0.00082602 0.24624097 0.14302402 -1.74956999 -3.98767236 -6.91277200 Pb 1.35498893 1.61042859 0.20947124 1.50548734 3.01219556 -6.37209023 Pb 1.35512851 0.05280714 1.41333883 1.56305900 -2.99388531 6.44310525 Pb -0.15344509 1.37241235 1.32230844 -1.31897634 3.96936211 6.84175697