# 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--ipr1 # 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 1.187002550e+04 0.04 5.937912618e+03 0.06 3.960541657e+03 0.08 2.971856176e+03 0.10 2.378644888e+03 0.12 1.983170695e+03 0.14 1.700689130e+03 0.16 1.488827955e+03 0.18 1.324047042e+03 0.20 1.192222311e+03 0.22 1.084365713e+03 0.24 9.944852147e+02 0.26 9.184324854e+02 0.28 8.532444317e+02 0.30 7.967481185e+02 0.32 7.473138445e+02 0.34 7.036953674e+02 0.36 6.649233878e+02 0.38 6.302326692e+02 0.40 5.990110224e+02 0.42 5.707628658e+02 0.44 5.450827234e+02 0.46 5.216356369e+02 0.48 5.001424743e+02 0.50 4.800226183e+02 0.52 4.496724594e+02 0.54 4.208857491e+02 0.56 3.938908907e+02 0.58 3.685778521e+02 0.60 3.448431586e+02 0.62 3.225897383e+02 0.64 3.017263968e+02 0.66 2.821675100e+02 0.68 2.638326382e+02 0.70 2.466464826e+02 0.72 2.305382223e+02 0.74 2.154412591e+02 0.76 2.012932744e+02 0.78 1.880356765e+02 0.80 1.756134761e+02 0.82 1.639750208e+02 0.84 1.530718394e+02 0.86 1.428584100e+02 0.88 1.332920991e+02 0.90 1.243328011e+02 0.92 1.159429128e+02 0.94 1.080870695e+02 0.96 1.007321761e+02 0.98 9.384706372e+01 1.00 8.740254812e+01 1.02 8.137125966e+01 1.04 7.572740882e+01 1.06 7.044694402e+01 1.08 6.550714220e+01 1.10 6.088674340e+01 1.12 5.656580294e+01 1.14 5.252517285e+01 1.16 4.874530193e+01 1.18 4.521031155e+01 1.20 4.190566407e+01 1.22 3.881761812e+01 1.24 3.593312096e+01 1.26 3.323982126e+01 1.28 3.072619936e+01 1.30 2.838121295e+01 1.32 2.619453679e+01 1.34 2.415622891e+01 1.36 2.225675695e+01 1.38 2.048725180e+01 1.40 1.883933229e+01 1.42 1.730515148e+01 1.44 1.587736251e+01 1.46 1.454905166e+01 1.48 1.331378078e+01 1.50 1.216547640e+01 1.52 1.109845906e+01 1.54 1.010740632e+01 1.56 9.187321473e+00 1.58 8.333548506e+00 1.60 7.541697095e+00 1.62 6.807667593e+00 1.64 6.127616255e+00 1.66 5.497944466e+00 1.68 4.915289930e+00 1.70 4.376494002e+00 1.72 3.878602476e+00 1.74 3.418852738e+00 1.76 2.994655487e+00 1.78 2.603594908e+00 1.80 2.243404036e+00 1.82 1.911963009e+00 1.84 1.607291239e+00 1.86 1.327529836e+00 1.88 1.070955445e+00 1.90 8.359403881e-01 1.92 6.209702252e-01 1.94 4.246325773e-01 1.96 2.456015513e-01 1.98 8.264370863e-02 2.00 -6.539705919e-02 2.02 -1.995985445e-01 2.04 -3.209674064e-01 2.06 -4.304446771e-01 2.08 -5.289048372e-01 2.10 -6.171693118e-01 2.12 -6.960001828e-01 2.14 -7.661117615e-01 2.16 -8.281656356e-01 2.18 -8.827823801e-01 2.20 -9.305394741e-01 2.22 -9.719734230e-01 2.24 -1.007586174e+00 2.26 -1.037844016e+00 2.28 -1.063180710e+00 2.30 -1.084000572e+00 2.32 -1.100678684e+00 2.34 -1.113565428e+00 2.36 -1.122985742e+00 2.38 -1.129240147e+00 2.40 -1.132610664e+00 2.42 -1.133357018e+00 2.44 -1.131721015e+00 2.46 -1.127925726e+00 2.48 -1.122180483e+00 2.50 -1.114676266e+00 2.52 -1.105592492e+00 2.54 -1.095093063e+00 2.56 -1.083331488e+00 2.58 -1.070448006e+00 2.60 -1.056573140e+00 2.62 -1.041827484e+00 2.64 -1.026321705e+00 2.66 -1.010158022e+00 2.68 -9.934296933e-01 2.70 -9.762245524e-01 2.72 -9.586206597e-01 2.74 -9.406918078e-01 2.76 -9.225048442e-01 2.78 -9.041203472e-01 2.80 -8.855950220e-01 2.82 -8.669798314e-01 2.84 -8.483205359e-01 2.86 -8.296602065e-01 2.88 -8.110371876e-01 2.90 -7.924857214e-01 2.92 -7.740382710e-01 2.94 -7.557222758e-01 2.96 -7.375636855e-01 2.98 -7.195856635e-01 3.00 -7.018082083e-01 3.02 -6.842496501e-01 3.04 -6.669259499e-01 3.06 -6.498515604e-01 3.08 -6.330392021e-01 3.10 -6.164990899e-01 3.12 -6.002404181e-01 3.14 -5.842715700e-01 3.16 -5.685992660e-01 3.18 -5.532289146e-01 3.20 -5.381650311e-01 3.22 -5.234112237e-01 3.24 -5.089702745e-01 3.26 -4.948442680e-01 3.28 -4.810342575e-01 3.30 -4.675407137e-01 3.32 -4.543637505e-01 3.34 -4.415028913e-01 3.36 -4.289570097e-01 3.38 -4.167243936e-01 3.40 -4.048026564e-01 3.42 -3.931897999e-01 3.44 -3.818827314e-01 3.46 -3.708782010e-01 3.48 -3.601724691e-01 3.50 -3.497613877e-01 3.52 -3.396403461e-01 3.54 -3.298041906e-01 3.56 -3.202469027e-01 3.58 -3.109620968e-01 3.60 -3.019430338e-01 3.62 -2.931821659e-01 3.64 -2.846715582e-01 3.66 -2.764025271e-01 3.68 -2.683659437e-01 3.70 -2.605523180e-01 3.72 -2.529518637e-01 3.74 -2.455548644e-01 3.76 -2.383517376e-01 3.78 -2.313332602e-01 3.80 -2.244906248e-01 3.82 -2.178161817e-01 3.84 -2.113028938e-01 3.86 -2.049446360e-01 3.88 -1.987366653e-01 3.90 -1.926748705e-01 3.92 -1.867562800e-01 3.94 -1.809784896e-01 3.96 -1.753396935e-01 3.98 -1.698385190e-01 4.00 -1.644737861e-01 4.02 -1.592444173e-01 4.04 -1.541491523e-01 4.06 -1.491867439e-01 4.08 -1.443552765e-01 4.10 -1.396529879e-01 4.12 -1.350772362e-01 4.14 -1.306255220e-01 4.16 -1.262945024e-01 4.18 -1.220806809e-01 4.20 -1.179801448e-01 4.22 -1.139886015e-01 4.24 -1.101015714e-01 4.26 -1.063139868e-01 4.28 -1.026207336e-01 4.30 -9.901626237e-02 4.32 -9.549482987e-02 4.34 -9.205048912e-02 4.36 -8.867705805e-02 4.38 -8.536818787e-02 4.40 -8.211732092e-02 4.42 -7.891811239e-02 4.44 -7.576398403e-02 4.46 -7.264861745e-02 4.48 -6.956595959e-02 4.50 -6.651036311e-02 4.52 -6.347688197e-02 4.54 -6.046136645e-02 4.56 -5.746063611e-02 4.58 -5.447312211e-02 4.60 -5.149848903e-02 4.62 -4.853861792e-02 4.64 -4.559709120e-02 4.66 -4.267973669e-02 4.68 -3.979444444e-02 4.70 -3.695100650e-02 4.72 -3.416149436e-02 4.74 -3.143891580e-02 4.76 -2.879755558e-02 4.78 -2.625148845e-02 4.80 -2.381445854e-02 4.82 -2.149903862e-02 4.84 -1.931588443e-02 4.86 -1.727344038e-02 4.88 -1.537731231e-02 4.90 -1.363053302e-02 4.92 -1.203314956e-02 4.94 -1.058281375e-02 4.96 -9.274793931e-03 4.98 -8.102480847e-03 5.00 -7.057968072e-03 5.02 -6.132228055e-03 5.04 -5.315776988e-03 5.06 -4.598815361e-03 5.08 -3.971662962e-03 5.10 -3.424975034e-03 5.12 -2.949836327e-03 5.14 -2.537996191e-03 5.16 -2.181802808e-03 5.18 -1.874348929e-03 5.20 -1.609383733e-03 5.22 -1.381357034e-03 5.24 -1.185331489e-03 5.26 -1.016963616e-03 5.28 -8.724626444e-04 5.30 -7.485015992e-04 5.32 -6.422106340e-04 5.34 -5.510888664e-04 5.36 -4.729822304e-04 5.38 -4.060368285e-04 5.40 -3.486511379e-04 5.42 -2.994573868e-04 5.44 -2.572745784e-04 5.46 -2.210971352e-04 5.48 -1.900595540e-04 5.50 -1.634212225e-04 5.52 -1.405517103e-04 5.54 -1.209088071e-04 5.56 -1.040299078e-04 5.58 -8.951927222e-05 5.60 -7.703847845e-05 5.62 -6.629870052e-05 5.64 -5.705196272e-05 5.66 -4.908671198e-05 5.68 -4.222134985e-05 5.70 -3.630131954e-05 5.72 -3.119333609e-05 5.74 -2.678373929e-05 5.76 -2.297486229e-05 5.78 -1.968302150e-05 5.80 -1.683660650e-05 5.82 -1.437377533e-05 5.84 -1.224183448e-05 5.86 -1.039523145e-05 5.88 -8.794908190e-06 5.90 -7.407251531e-06 5.92 -6.203297123e-06 5.94 -5.158261514e-06 5.96 -4.250592820e-06 5.98 -3.461845845e-06 6.00 -2.776050767e-06 6.02 -2.179485508e-06 6.04 -1.660263160e-06 6.06 -1.208081313e-06 6.08 -8.141172125e-07 6.10 -4.706821042e-07 6.12 -1.711595160e-07 6.14 9.021520435e-08 6.16 1.937150955e-06 6.18 1.937150955e-06 6.20 1.937150955e-06 6.22 1.937150955e-06 6.24 1.937150955e-06 6.26 1.937150955e-06 6.28 1.937150955e-06 6.30 1.937150955e-06 6.32 1.937150955e-06 6.34 1.937150955e-06 6.36 1.937150955e-06 6.38 1.937150955e-06 6.40 1.937150955e-06 6.42 1.937150955e-06 6.44 1.937150955e-06 6.46 1.937150955e-06 6.48 1.937150955e-06 6.50 1.937150955e-06 6.52 1.937150955e-06 6.54 1.937150955e-06 6.56 1.937150955e-06 6.58 1.937150955e-06 6.60 1.937150955e-06 6.62 1.937150955e-06 6.64 1.937150955e-06 6.66 1.937150955e-06 6.68 1.937150955e-06 6.70 1.937150955e-06 6.72 1.937150955e-06 6.74 1.937150955e-06 6.76 1.937150955e-06 6.78 1.937150955e-06 6.80 1.937150955e-06 6.82 1.937150955e-06 6.84 1.937150955e-06 6.86 1.937150955e-06 6.88 1.937150955e-06 6.90 1.937150955e-06 6.92 1.937150955e-06 6.94 1.937150955e-06 6.96 1.937150955e-06 6.98 1.937150955e-06 7.00 1.937150955e-06 7.02 1.937150955e-06 7.04 1.937150955e-06 7.06 1.937150955e-06 7.08 1.937150955e-06 7.10 1.937150955e-06 7.12 1.937150955e-06 7.14 1.937150955e-06 7.16 1.937150955e-06 7.18 1.937150955e-06 7.20 1.937150955e-06 7.22 1.937150955e-06 7.24 1.937150955e-06 7.26 1.937150955e-06 7.28 1.937150955e-06 7.30 1.937150955e-06 7.32 1.937150955e-06 7.34 1.937150955e-06 7.36 1.937150955e-06 7.38 1.937150955e-06 7.40 1.937150955e-06 7.42 1.937150955e-06 7.44 1.937150955e-06 7.46 1.937150955e-06 7.48 1.937150955e-06 7.50 1.937150955e-06 7.52 1.937150955e-06 7.54 1.937150955e-06 7.56 1.937150955e-06 7.58 1.937150955e-06 7.60 1.937150955e-06 7.62 1.937150955e-06 7.64 1.937150955e-06 7.66 1.937150955e-06 7.68 1.937150955e-06 7.70 1.937150955e-06 7.72 1.937150955e-06 7.74 1.937150955e-06 7.76 1.937150955e-06 7.78 1.937150955e-06 7.80 1.937150955e-06 7.82 1.937150955e-06 7.84 1.937150955e-06 7.86 1.937150955e-06 7.88 1.937150955e-06 7.90 1.937150955e-06 7.92 1.937150955e-06 7.94 1.937150955e-06 7.96 1.937150955e-06 7.98 1.937150955e-06 8.00 1.937150955e-06 8.02 1.937150955e-06 8.04 1.937150955e-06 8.06 1.937150955e-06 8.08 1.937150955e-06 8.10 1.937150955e-06 8.12 1.937150955e-06 8.14 1.937150955e-06 8.16 1.937150955e-06 8.18 1.937150955e-06 8.20 1.937150955e-06 8.22 1.937150955e-06 8.24 1.937150955e-06 8.26 1.937150955e-06 8.28 1.937150955e-06 8.30 1.937150955e-06 8.32 1.937150955e-06 8.34 1.937150955e-06 8.36 1.937150955e-06 8.38 1.937150955e-06 8.40 1.937150955e-06 8.42 1.937150955e-06 8.44 1.937150955e-06 8.46 1.937150955e-06 8.48 1.937150955e-06 8.50 1.937150955e-06 8.52 1.937150955e-06 8.54 1.937150955e-06 8.56 1.937150955e-06 8.58 1.937150955e-06 8.60 1.937150955e-06 8.62 1.937150955e-06 8.64 1.937150955e-06 8.66 1.937150955e-06 8.68 1.937150955e-06 8.70 1.937150955e-06 8.72 1.937150955e-06 8.74 1.937150955e-06 8.76 1.937150955e-06 8.78 1.937150955e-06 8.80 1.937150955e-06 8.82 1.937150955e-06 8.84 1.937150955e-06 8.86 1.937150955e-06 8.88 1.937150955e-06 8.90 1.937150955e-06 8.92 1.937150955e-06 8.94 1.937150955e-06 8.96 1.937150955e-06 8.98 1.937150955e-06 9.00 1.937150955e-06 9.02 1.937150955e-06 9.04 1.937150955e-06 9.06 1.937150955e-06 9.08 1.937150955e-06 9.10 1.937150955e-06 9.12 1.937150955e-06 9.14 1.937150955e-06 9.16 1.937150955e-06 9.18 1.937150955e-06 9.20 1.937150955e-06 9.22 1.937150955e-06 9.24 1.937150955e-06 9.26 1.937150955e-06 9.28 1.937150955e-06 9.30 1.937150955e-06 9.32 1.937150955e-06 9.34 1.937150955e-06 9.36 1.937150955e-06 9.38 1.937150955e-06 9.40 1.937150955e-06 9.42 1.937150955e-06 9.44 1.937150955e-06 9.46 1.937150955e-06 9.48 1.937150955e-06 9.50 1.937150955e-06 9.52 1.937150955e-06 9.54 1.937150955e-06 9.56 1.937150955e-06 9.58 1.937150955e-06 9.60 1.937150955e-06 9.62 1.937150955e-06 9.64 1.937150955e-06 9.66 1.937150955e-06 9.68 1.937150955e-06 9.70 1.937150955e-06 9.72 1.937150955e-06 9.74 1.937150955e-06 9.76 1.937150955e-06 9.78 1.937150955e-06 9.80 1.937150955e-06 9.82 1.937150955e-06 9.84 1.937150955e-06 9.86 1.937150955e-06 9.88 1.937150955e-06 9.90 1.937150955e-06 9.92 1.937150955e-06 9.94 1.937150955e-06 9.96 1.937150955e-06 9.98 1.937150955e-06 10.00 1.937150955e-06