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=36.812343393568 stress="-4.50738976084263 -0.4895462019686358 -0.15680150248841354 -0.4895462019686358 -5.994202570498204 0.8548720112168079 -0.15680150248841354 0.8548720112168079 -6.289935819505347" pbc="F T T" Pd 0.07034430 0.04852473 0.01848935 -41.05203041 8.95981931 9.04702153 Pd 1.41561068 1.63661615 -0.09519967 43.10530401 -39.02887247 36.10776236 Pd 1.37719504 -0.20130994 1.61041876 49.37249596 50.53736994 -33.79246987 Pd 0.08611608 1.53369179 1.52598936 -51.42576956 -20.46831677 -11.36231401