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=-0.8348910239892038 stress="-2.180325830237016 0.23241570607844797 -0.059577892940387844 0.23241570607844797 -3.1260264071647126 0.8155136382805437 -0.059577892940387844 0.8155136382805437 -2.9982293548620085" pbc="F F F" Pd -0.12633864 -0.03902326 -0.21780693 -0.49523109 -0.52186466 -0.98201073 Pd 1.71813893 1.26716069 0.19410236 0.62179751 1.34120905 -1.11926277 Pd 1.33096497 -0.11798803 1.43300593 0.62943931 -1.75805845 1.51890519 Pd -0.27997518 1.27696427 1.41661558 -0.75600572 0.93871406 0.58236831