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=-6.604466759065526 stress="0.2925427555930754 0.017826932704714686 -0.013359990531828122 0.017826932704714686 -0.13757722646166784 -0.12259518202702543 -0.013359990531828122 -0.12259518202702543 -0.0765710433448114" pbc="T F F" Pd 0.29417082 0.20408111 0.31352892 0.23858199 -2.98468374 -2.22672739 H 1.45887194 1.53691384 0.07736569 -0.45352118 -0.08380941 0.18154663 H 1.72577322 0.14977756 1.59364432 0.11745810 0.18127073 -0.25362357 Pd 0.27354104 1.53273964 1.37275793 0.09748109 2.88722242 2.29880433