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=-1.3572134183214384 stress="0.3939006198881414 -0.8888864147137508 1.6348319399974305 -0.8888864147137508 3.24808888165045 -0.3370781041974904 1.6348319399974305 -0.3370781041974904 -1.0355468479281709" pbc="F F F" Pd -0.29779682 -0.28244114 -0.14458569 0.20301827 0.54113101 0.15137130 H 1.39917148 1.76235339 -0.15161904 0.81400998 -0.78043248 -0.76914751 Pd 1.71005355 0.21211731 1.44968690 -0.82836443 1.46465023 -0.49247597 H 0.29594673 1.65710459 1.49042854 -0.18866381 -1.22534877 1.11025218