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=-4.848368500486322 stress="-0.8525340680106246 0.013985538420398782 0.06601534356896858 0.013985538420398782 -0.0011408396167473735 -0.007095896659005964 0.06601534356896858 -0.007095896659005964 -0.8990439384404882" pbc="T F T" Pd 0.25980354 0.27143892 -0.09704662 -4.02155035 0.76089423 3.16487688 H 1.60338854 1.49554554 0.11018303 1.99450887 -0.02392646 -1.77407542 Pd 1.42518197 0.18843096 1.67061300 4.09768858 -0.73612182 -3.14662143 H 0.29169807 1.46863002 1.44630638 -2.07064709 -0.00084595 1.75581997