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=-2.0869095709977272 stress="-1.7127293927523877 0.06546489390047391 -0.16489656479988285 0.06546489390047391 -0.8075055735486972 0.06456805164816427 -0.16489656479988285 0.06456805164816427 -1.6719926876485642" pbc="T T T" H -0.16457009 -0.28709169 -0.24363679 4.36670766 -2.43963982 4.75740065 Pd 1.38979497 1.34365216 0.04278917 2.64066790 1.48572119 4.47378847 H 1.73520322 0.24421963 1.59176916 -4.62409041 1.55893713 -4.62326650 Pd 0.06487656 1.22240591 1.79553441 -2.38328516 -0.60501849 -4.60792262