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=-5.304059592444336 stress="-0.848147631799179 -0.11468255705148896 0.00932066031226015 -0.11468255705148896 -0.8529399496772276 0.009437791272058254 0.00932066031226015 0.009437791272058254 0.05641694688734386" pbc="T T F" Pd 0.19877714 0.10881314 0.13250256 -1.35549291 -0.79835939 0.50118184 Pd 1.60031152 1.55442580 0.13572127 1.34027518 0.78111092 0.53424133 H 1.48657851 -0.26612504 1.58501927 3.49124060 3.54717788 -0.77282133 H 0.25486545 1.50693356 1.66501753 -3.47602287 -3.52992942 -0.26260184