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=-1.6306430747089955 stress="2.7476939365993323 -0.30904677776214273 -0.5003622947940549 -0.30904677776214273 1.1752613720721585 0.634153677796873 -0.5003622947940549 0.634153677796873 1.6423269547782149" pbc="F F F" Pd -0.09604453 -0.16773400 -0.26950400 0.62834410 0.31176021 0.41104588 H 1.62036030 1.56512562 0.24843919 -1.15205688 -0.00631106 0.58147136 H 1.64432661 -0.23976508 1.60281613 -0.69036691 0.30924134 -0.10480170 Pd 0.25911890 1.69019325 1.69877714 1.21407969 -0.61469048 -0.88771554