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=11.565259093694703 stress="-2.3462714331013066 -0.033646817862597836 -0.04331119990016794 -0.033646817862597836 -1.7152120379677753 0.05785514003134358 -0.04331119990016794 0.05785514003134358 -1.192012965387583" pbc="T T F" Ag 0.03194458 0.16162860 0.21338862 -3.06370579 -2.55773421 -23.92449268 H 1.25837212 1.20918501 0.25219415 1.86215208 4.67500480 -4.46026512 Ag 1.53309593 0.07924967 1.28416794 2.26827349 -5.06547056 17.32884709 Pd 0.18280434 1.45714373 1.46177622 -1.06671978 2.94819997 11.05591071