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=-4.551239213356619 stress="-0.04245878623041716 -0.025623222086450854 -0.014235071816798743 -0.025623222086450854 -0.8800389257237342 0.05600042397115429 -0.014235071816798743 0.05600042397115429 -1.0650439697046816" pbc="F T T" Pd 0.29119256 -0.19308771 0.32712603 0.11506578 4.16238637 -3.22780446 H 1.32855994 1.12687351 -0.00785473 0.09124153 3.20110348 -1.20622184 H 1.36529556 -0.04959061 1.40920482 0.87909270 -2.86255143 1.76857665 Pd 0.19215061 1.66717744 1.60057357 -1.08540001 -4.50093843 2.66544965