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=51.00130555444334 stress="-6.921917372208548 0.5662749279577765 -0.3782512299553887 0.5662749279577765 -7.029696561522767 -0.6950759007925169 -0.3782512299553887 -0.6950759007925169 -7.870995542031265" pbc="T T T" Pd -0.14459490 0.11115480 0.11044915 21.20747509 -44.50734959 -13.38290771 Pd 1.70960170 1.31143450 -0.16166483 -33.74002319 35.49802245 6.08563383 Pd 1.28829595 0.03769167 1.64041416 -6.01732180 -27.26196525 -10.07019893 Pd -0.22187219 1.22744829 1.32834452 18.54986990 36.27129239 17.36747281