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=-1.111565844658634 stress="-14.018828348943178 1.1469587276157576 -3.3391558334153846 1.1469587276157576 -22.64728386238659 -10.594075572829102 -3.3391558334153846 -10.594075572829102 -20.89431445725861" pbc="F F F" Pd -0.14459490 0.11115480 0.11044915 -5.76206380 -12.54609797 -13.55051058 Pd 1.70960170 1.31143450 -0.16166483 3.52931973 2.46095782 -1.84464899 Pd 1.28829595 -0.16490224 1.64041416 5.06388388 -3.26500474 5.26378064 Pd -0.22187219 1.51878885 1.32834452 -2.83113981 13.35014490 10.13137893