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=-5.46577838162837 stress="-9.919487670509511 0.7612211485045803 -2.00905086880492 0.7612211485045803 -11.738195336314094 -3.8899198632874166 -2.00905086880492 -3.8899198632874166 -11.086641739188838" pbc="F F F" Pd -0.14459490 0.11115480 0.11044915 -3.95602663 -5.80851739 -6.60470534 Pd 1.70960170 1.31143450 -0.16166483 2.60540154 1.65138626 -1.33508873 Pd 1.28829595 -0.16490224 1.64041416 3.43864600 -2.31892334 3.37587149 Pd -0.22187219 1.51878885 1.32834452 -2.08802091 6.47605447 4.56392258