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=49.69372831596536 stress="-2.945742092460825 0.04538364260357244 -0.055828966795513545 0.04538364260357244 -1.6558801680557875 -0.018613570413852924 -0.055828966795513545 -0.018613570413852924 -3.14740277900052" pbc="T F T" Pb 0.20210255 0.18220204 0.02465319 -4.67096595 -17.87558875 -3.65974423 Pb 1.70005855 1.52724172 -0.18065349 2.22889844 16.85365389 -2.33522260 Pb 1.20296332 0.22083292 1.36221108 6.03365222 -17.27885633 3.15678667 Pb 0.19114768 1.42299150 1.17620546 -3.59158472 18.30079119 2.83818015