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=-1.8583885225598402 stress="0.069989164461429 1.4573264560076737 -0.828917273797607 1.4573264560076737 -1.3157269707037733 -0.6014743810370726 -0.828917273797607 -0.6014743810370726 4.888993843707658" pbc="F F F" Pd 0.02189121 0.12180041 -0.28678287 0.03259595 -0.01779469 1.39456548 Pd 1.71736445 1.28604778 0.20384132 -0.68258794 -0.44754451 1.85991798 H 1.29224623 -0.26785036 1.50041025 0.90232276 -0.77863756 -1.50878404 H 0.25551247 1.35444624 1.49188881 -0.25233078 1.24397676 -1.74569942