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=-2.6512852889871845 stress="-0.6859889025187743 0.04548389146148639 0.019353680181191726 0.04548389146148639 -0.7427709398370036 0.008432371982485929 0.019353680181191726 0.008432371982485929 -0.7154894709964511" pbc="T F F" Pd 0.02031036 0.18745344 0.02015752 -2.09500977 -6.30344126 -5.81886212 Pd 1.37970777 1.77711528 0.13616082 3.27906407 5.72654426 -7.25095117 Pd 1.26429260 0.12968218 1.71980528 2.99981061 -6.48389882 5.32184580 Pd 0.29977655 1.68543805 1.45460942 -4.18386491 7.06079582 7.74796749