16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-12.901020007427023 stress="0.0002812607612945876 2.3031716227997473e-05 6.163929240227677e-06 2.3031716227997473e-05 0.000266685218051367 5.821346301808087e-05 6.163929240227677e-06 5.821346301808087e-05 0.0002581868024536218" pbc="F F F" Pd 21.14302402 20.85498893 21.11042859 1.01426151 1.29614507 0.89440524 H 22.49932090 22.35512851 22.55280714 -0.24119760 0.33897996 0.10590449 Pd 23.91333883 20.84655491 20.87241235 -0.75665092 0.98192924 1.01105544 Pd 25.32230844 22.41049160 22.22286420 -1.77154407 0.74597574 0.96310681 H 20.93858073 23.73940851 21.15488783 0.80860133 -0.12964113 0.72689169 Pd 22.55988540 25.20245745 22.66431082 0.87118005 -1.66940833 0.55757334 Pd 23.81425730 23.98844065 21.03277713 -0.50718211 -0.82792728 1.58691848 H 25.39971974 25.37366136 22.46097674 -0.57327110 -0.43018243 -0.43326088 Pd 20.78219307 21.21813893 23.76716069 1.56978739 0.99413396 -0.69204470 H 22.69410236 22.33096497 25.38201197 -0.40253106 0.50414151 -1.06917814 H 23.85599743 20.72002482 23.77696427 -0.01590772 0.69409349 -0.47344469 H 25.41661558 22.46512192 25.72586561 -0.42316990 0.26659192 -0.46330330 Pd 21.29391194 23.72614529 24.02103145 1.90310221 -0.86767424 -0.62437928 H 22.18459722 25.68220204 25.39362841 0.15814545 -0.77422983 -0.81052985 H 24.23573857 24.02724172 23.77538150 -0.96976912 -0.44278775 -0.35624106 Pd 25.20296332 25.34887301 25.72083292 -0.66385435 -0.68013992 -0.92347361