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:Z:I:1:forces:R:3 energy=-1.618709319424729 pbc="F T F" Pd 0.17379638 0.05430601 -0.04257843 46 -1.31972000 -0.92651978 -9.16107451 H 1.50602802 1.34626458 0.18013978 1 -0.58059922 0.15214813 -2.28033032 Ag 1.70040666 -0.03375241 1.53502127 47 12.13391273 -0.95693143 3.97691202 Ag 0.16980798 1.43965140 1.52184289 47 -10.23359351 1.73130308 7.46449281