# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Pd # implementation = 2004--Zhou-X-W--Pd--LAMMPS--ipr2 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Pd Pd 0.02 1.187002155e+04 0.04 5.937910642e+03 0.06 3.960540339e+03 0.08 2.971855188e+03 0.10 2.378644097e+03 0.12 1.983170037e+03 0.14 1.700688565e+03 0.16 1.488827461e+03 0.18 1.324046603e+03 0.20 1.192221916e+03 0.22 1.084365354e+03 0.24 9.944848857e+02 0.26 9.184321818e+02 0.28 8.532441498e+02 0.30 7.967478554e+02 0.32 7.473135979e+02 0.34 7.036951353e+02 0.36 6.649231686e+02 0.38 6.302324615e+02 0.40 5.990108252e+02 0.42 5.707626780e+02 0.44 5.450825442e+02 0.46 5.216354655e+02 0.48 5.001423101e+02 0.50 4.800225573e+02 0.52 4.496724139e+02 0.54 4.208855949e+02 0.56 3.938907760e+02 0.58 3.685777637e+02 0.60 3.448431067e+02 0.62 3.225896840e+02 0.64 3.017263180e+02 0.66 2.821674122e+02 0.68 2.638326092e+02 0.70 2.466464719e+02 0.72 2.305381818e+02 0.74 2.154412576e+02 0.76 2.012932899e+02 0.78 1.880356925e+02 0.80 1.756134687e+02 0.82 1.639749923e+02 0.84 1.530718011e+02 0.86 1.428584041e+02 0.88 1.332920997e+02 0.90 1.243328053e+02 0.92 1.159428971e+02 0.94 1.080870599e+02 0.96 1.007321461e+02 0.98 9.384704304e+01 1.00 8.740254866e+01 1.02 8.137125474e+01 1.04 7.572743716e+01 1.06 7.044695298e+01 1.08 6.550714366e+01 1.10 6.088674437e+01 1.12 5.656579869e+01 1.14 5.252517883e+01 1.16 4.874530716e+01 1.18 4.521032863e+01 1.20 4.190568755e+01 1.22 3.881761525e+01 1.24 3.593309426e+01 1.26 3.323982341e+01 1.28 3.072618387e+01 1.30 2.838120631e+01 1.32 2.619452936e+01 1.34 2.415621340e+01 1.36 2.225675976e+01 1.38 2.048725284e+01 1.40 1.883933027e+01 1.42 1.730514949e+01 1.44 1.587735631e+01 1.46 1.454905524e+01 1.48 1.331378169e+01 1.50 1.216547568e+01 1.52 1.109845722e+01 1.54 1.010740310e+01 1.56 9.187325024e+00 1.58 8.333549147e+00 1.60 7.541696739e+00 1.62 6.807666060e+00 1.64 6.127615307e+00 1.66 5.497946586e+00 1.68 4.915290851e+00 1.70 4.376493752e+00 1.72 3.878602335e+00 1.74 3.418852556e+00 1.76 2.994657539e+00 1.78 2.603596560e+00 1.80 2.243404689e+00 1.82 1.911963078e+00 1.84 1.607289824e+00 1.86 1.327531406e+00 1.88 1.070954635e+00 1.90 8.359391040e-01 1.92 6.209700968e-01 1.94 4.246319364e-01 1.96 2.456017397e-01 1.98 8.264355794e-02 2.00 -6.539712093e-02 2.02 -1.995985311e-01 2.04 -3.209674679e-01 2.06 -4.304438279e-01 2.08 -5.289048670e-01 2.10 -6.171691945e-01 2.12 -6.960005183e-01 2.14 -7.661111581e-01 2.16 -8.281653385e-01 2.18 -8.827822775e-01 2.20 -9.305390814e-01 2.22 -9.719734593e-01 2.24 -1.007586267e+00 2.26 -1.037843893e+00 2.28 -1.063180489e+00 2.30 -1.084000071e+00 2.32 -1.100678477e+00 2.34 -1.113565206e+00 2.36 -1.122985145e+00 2.38 -1.129240178e+00 2.40 -1.132610699e+00 2.42 -1.133357032e+00 2.44 -1.131720751e+00 2.46 -1.127925926e+00 2.48 -1.122180285e+00 2.50 -1.114676303e+00 2.52 -1.105592221e+00 2.54 -1.095092997e+00 2.56 -1.083331206e+00 2.58 -1.070447871e+00 2.60 -1.056573243e+00 2.62 -1.041827539e+00 2.64 -1.026321624e+00 2.66 -1.010157649e+00 2.68 -9.934296525e-01 2.70 -9.762241225e-01 2.72 -9.586205172e-01 2.74 -9.406917575e-01 2.76 -9.225046839e-01 2.78 -9.041204853e-01 2.80 -8.855950994e-01 2.82 -8.669795868e-01 2.84 -8.483204806e-01 2.86 -8.296601133e-01 2.88 -8.110369220e-01 2.90 -7.924857337e-01 2.92 -7.740380316e-01 2.94 -7.557222036e-01 2.96 -7.375637750e-01 2.98 -7.195856253e-01 3.00 -7.018081902e-01 3.02 -6.842496510e-01 3.04 -6.669261108e-01 3.06 -6.498517584e-01 3.08 -6.330390222e-01 3.10 -6.164987127e-01 3.12 -6.002401554e-01 3.14 -5.842713148e-01 3.16 -5.685989094e-01 3.18 -5.532285180e-01 3.20 -5.381646792e-01 3.22 -5.234109821e-01 3.24 -5.089701504e-01 3.26 -4.948441193e-01 3.28 -4.810341052e-01 3.30 -4.675406683e-01 3.32 -4.543637686e-01 3.34 -4.415028145e-01 3.36 -4.289567033e-01 3.38 -4.167238555e-01 3.40 -4.048022395e-01 3.42 -3.931893887e-01 3.44 -3.818824102e-01 3.46 -3.708779839e-01 3.48 -3.601723538e-01 3.50 -3.497613105e-01 3.52 -3.396401669e-01 3.54 -3.298037290e-01 3.56 -3.202462640e-01 3.58 -3.109614706e-01 3.60 -3.019424560e-01 3.62 -2.931817262e-01 3.64 -2.846711960e-01 3.66 -2.764022274e-01 3.68 -2.683656995e-01 3.70 -2.605521174e-01 3.72 -2.529517582e-01 3.74 -2.455548511e-01 3.76 -2.383517832e-01 3.78 -2.313333162e-01 3.80 -2.244907972e-01 3.82 -2.178163444e-01 3.84 -2.113029897e-01 3.86 -2.049447649e-01 3.88 -1.987367242e-01 3.90 -1.926749027e-01 3.92 -1.867562179e-01 3.94 -1.809783285e-01 3.96 -1.753394639e-01 3.98 -1.698382435e-01 4.00 -1.644734998e-01 4.02 -1.592441163e-01 4.04 -1.541488905e-01 4.06 -1.491864225e-01 4.08 -1.443550334e-01 4.10 -1.396527079e-01 4.12 -1.350770609e-01 4.14 -1.306253209e-01 4.16 -1.262943275e-01 4.18 -1.220805402e-01 4.20 -1.179800464e-01 4.22 -1.139885798e-01 4.24 -1.101015395e-01 4.26 -1.063140076e-01 4.28 -1.026207689e-01 4.30 -9.901632952e-02 4.32 -9.549493888e-02 4.34 -9.205061423e-02 4.36 -8.867717103e-02 4.38 -8.536826155e-02 4.40 -8.211742333e-02 4.42 -7.891814864e-02 4.44 -7.576396682e-02 4.46 -7.264854899e-02 4.48 -6.956584026e-02 4.50 -6.651022028e-02 4.52 -6.347669331e-02 4.54 -6.046110606e-02 4.56 -5.746038864e-02 4.58 -5.447280933e-02 4.60 -5.149822893e-02 4.62 -4.853833477e-02 4.64 -4.559682978e-02 4.66 -4.267954631e-02 4.68 -3.979428868e-02 4.70 -3.695100652e-02 4.72 -3.416155701e-02 4.74 -3.143916435e-02 4.76 -2.879787920e-02 4.78 -2.625193602e-02 4.80 -2.381505696e-02 4.82 -2.149976202e-02 4.84 -1.931674741e-02 4.86 -1.727438783e-02 4.88 -1.537840283e-02 4.90 -1.363170746e-02 4.92 -1.203444482e-02 4.94 -1.058417912e-02 4.96 -9.276213413e-03 4.98 -8.103989304e-03 5.00 -7.059525175e-03 5.02 -6.133854786e-03 5.04 -5.317436078e-03 5.06 -4.600509815e-03 5.08 -3.973396851e-03 5.10 -3.426730678e-03 5.12 -2.951627786e-03 5.14 -2.539802176e-03 5.16 -2.183632511e-03 5.18 -1.876191008e-03 5.20 -1.611242960e-03 5.22 -1.383224823e-03 5.24 -1.187207688e-03 5.26 -1.018851607e-03 5.28 -8.743551191e-04 5.30 -7.504031384e-04 5.32 -6.441155496e-04 5.34 -5.529980302e-04 5.36 -4.748961088e-04 5.38 -4.079529813e-04 5.40 -3.505713306e-04 5.42 -3.013791371e-04 5.44 -2.591993511e-04 5.46 -2.230231764e-04 5.48 -1.919866853e-04 5.50 -1.653504457e-04 5.52 -1.424818500e-04 5.54 -1.228398350e-04 5.56 -1.059617119e-04 5.58 -9.145183600e-05 5.60 -7.897188231e-05 5.62 -6.823250919e-05 5.64 -5.898622327e-05 5.66 -5.102127654e-05 5.68 -4.415645244e-05 5.70 -3.823661224e-05 5.72 -3.312889404e-05 5.74 -2.871946846e-05 5.76 -2.491077097e-05 5.78 -2.161914019e-05 5.80 -1.877280325e-05 5.82 -1.631015642e-05 5.84 -1.417829809e-05 5.86 -1.233177623e-05 5.88 -1.073151918e-05 5.90 -9.343922206e-06 5.92 -8.140067249e-06 5.94 -7.095055861e-06 5.96 -6.187438928e-06 5.98 -5.398728732e-06 6.00 -4.712981435e-06 6.02 -4.116439511e-06 6.04 -3.597225495e-06 6.06 -3.145079447e-06 6.08 -2.751133870e-06 6.10 -2.407720558e-06 6.12 -2.108204824e-06 6.14 -1.846843107e-06 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00