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=-1.1952417381484524 stress="-1.0548833183467974 -0.41125126855811917 -0.46147150005526 -0.41125126855811917 -0.5981740223305536 0.5170116497680386 -0.46147150005526 0.5170116497680386 -1.01537961286682" pbc="F F F" Pd 0.18107110 -0.17174679 0.13102478 -0.63314718 -0.18596768 -0.29018300 Pd 1.59995250 1.53042936 0.01193751 0.27500572 0.49428745 -0.39105730 Pd 1.75226748 -0.03568003 1.54396501 0.41884262 -0.19263061 0.64907965 Pd 0.07236142 1.70379337 1.73854596 -0.06070116 -0.11568915 0.03216065