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=158.75060774623222 stress="-11.910388494645046 -1.6556914262527693 -0.4176613600899557 -1.6556914262527693 -12.55378304249299 1.6728651770137202 -0.4176613600899557 1.6728651770137202 -8.708039811371798" free_energy=158.75060774623222 pbc="T T F" Pb -0.13449789 -0.21197381 0.22277084 53.05809920 68.09580047 -85.99993713 Pb 1.68584377 1.68362810 0.19581920 -66.24312172 -35.27317141 -86.84879942 Pb 1.64685009 0.42259636 1.67626233 -39.33013762 -24.19363819 72.63859181 Pb -0.14597521 1.70996341 1.49207130 52.51516014 -8.62899087 100.21014474