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=-1.5650651185705204 stress="0.8576858069210883 0.12844012631699755 -0.6952911888497759 0.12844012631699755 3.642810817743473 0.2180352697015655 -0.6952911888497759 0.2180352697015655 1.3575566287476524" pbc="F F F" Pd -0.18365652 -0.07465759 -0.01433724 0.18091605 1.24759679 0.16068169 H 1.31443107 1.54376171 -0.27948471 -0.47251608 -1.20927759 0.52600103 Pd 1.69090012 -0.19277068 1.27455943 -0.13368418 1.03338245 0.04276111 H 0.05332204 1.38436473 1.73110688 0.42528422 -1.07170165 -0.72944383