# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Pd # implementation = 2023--Daw-M-S--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 2026-08-31 r Pd Pd 0.02 3.288202352e+04 0.04 2.997107077e+04 0.06 2.718500168e+04 0.08 2.451793311e+04 0.10 2.196429147e+04 0.12 1.951879465e+04 0.14 1.717643501e+04 0.16 1.494441006e+04 0.18 1.297400561e+04 0.20 1.127786421e+04 0.22 9.816927010e+03 0.24 8.557730001e+03 0.26 7.471603974e+03 0.28 6.533988343e+03 0.30 5.723842780e+03 0.32 5.023142764e+03 0.34 4.416447122e+03 0.36 3.890527362e+03 0.38 3.434049978e+03 0.40 3.037304230e+03 0.42 2.691968892e+03 0.44 2.390912436e+03 0.46 2.128021872e+03 0.48 1.898056164e+03 0.50 1.696520705e+03 0.52 1.519559835e+03 0.54 1.363864838e+03 0.56 1.226595175e+03 0.58 1.105311085e+03 0.60 9.979158967e+02 0.62 9.026066673e+02 0.64 8.178319576e+02 0.66 7.422557028e+02 0.68 6.747263103e+02 0.70 6.142502281e+02 0.72 5.599693379e+02 0.74 5.111416210e+02 0.76 4.671246243e+02 0.78 4.273613196e+02 0.80 3.913680108e+02 0.82 3.587239915e+02 0.84 3.290626987e+02 0.86 3.020641463e+02 0.88 2.774484503e+02 0.90 2.549702900e+02 0.92 2.344141652e+02 0.94 2.155903375e+02 0.96 1.983313522e+02 0.98 1.824890592e+02 1.00 1.679320583e+02 1.02 1.545435079e+02 1.04 1.422192440e+02 1.06 1.308661638e+02 1.08 1.204008365e+02 1.10 1.107483068e+02 1.12 1.018410643e+02 1.14 9.361815421e+01 1.16 8.602440894e+01 1.18 7.900978314e+01 1.20 7.252877741e+01 1.22 6.653993783e+01 1.24 6.100542051e+01 1.26 5.589061187e+01 1.28 5.116379692e+01 1.30 4.679586855e+01 1.32 4.276007234e+01 1.34 3.903178177e+01 1.36 3.558829984e+01 1.38 3.240868337e+01 1.40 2.947358699e+01 1.42 2.676512422e+01 1.44 2.426674338e+01 1.46 2.196311643e+01 1.48 1.984003907e+01 1.50 1.788434077e+01 1.52 1.608380344e+01 1.54 1.442708774e+01 1.56 1.290366613e+01 1.58 1.150376189e+01 1.60 1.021829348e+01 1.62 9.038823545e+00 1.64 7.957512251e+00 1.66 6.967074322e+00 1.68 6.060739536e+00 1.70 5.232216284e+00 1.72 4.475657919e+00 1.74 3.785631631e+00 1.76 3.157089625e+00 1.78 2.585342408e+00 1.80 2.066033990e+00 1.82 1.595118855e+00 1.84 1.168840558e+00 1.86 7.837118058e-01 1.88 4.364959294e-01 1.90 1.241896222e-01 1.92 -1.559931370e-01 1.94 -4.066360667e-01 1.96 -6.301345503e-01 1.98 -8.287086588e-01 2.00 -1.004415295e+00 2.02 -1.159159519e+00 2.04 -1.294705116e+00 2.06 -1.412684445e+00 2.08 -1.514607636e+00 2.10 -1.601871159e+00 2.12 -1.675765823e+00 2.14 -1.737484231e+00 2.16 -1.788127734e+00 2.18 -1.828712916e+00 2.20 -1.860177636e+00 2.22 -1.883386663e+00 2.24 -1.899136927e+00 2.26 -1.908162409e+00 2.28 -1.911138698e+00 2.30 -1.908687240e+00 2.32 -1.901379283e+00 2.34 -1.889739564e+00 2.36 -1.874249729e+00 2.38 -1.855351522e+00 2.40 -1.833449747e+00 2.42 -1.808915029e+00 2.44 -1.782086379e+00 2.46 -1.753273571e+00 2.48 -1.722759365e+00 2.50 -1.690801558e+00 2.52 -1.657634901e+00 2.54 -1.623472874e+00 2.56 -1.588509329e+00 2.58 -1.552920024e+00 2.60 -1.516864042e+00 2.62 -1.480485104e+00 2.64 -1.443912792e+00 2.66 -1.407263680e+00 2.68 -1.370642380e+00 2.70 -1.334142516e+00 2.72 -1.297847623e+00 2.74 -1.261831976e+00 2.76 -1.226161364e+00 2.78 -1.190893802e+00 2.80 -1.156080190e+00 2.82 -1.121764919e+00 2.84 -1.087986440e+00 2.86 -1.054777778e+00 2.88 -1.022167015e+00 2.90 -9.901777342e-01 2.92 -9.588294257e-01 2.94 -9.281378651e-01 2.96 -8.981154602e-01 2.98 -8.687715710e-01 3.00 -8.401128042e-01 3.02 -8.121432843e-01 3.04 -7.848649022e-01 3.06 -7.582775448e-01 3.08 -7.323793048e-01 3.10 -7.071666741e-01 3.12 -6.826347206e-01 3.14 -6.587772504e-01 3.16 -6.355869566e-01 3.18 -6.130555547e-01 3.20 -5.911739075e-01 3.22 -5.699321382e-01 3.24 -5.493197339e-01 3.26 -5.293256399e-01 3.28 -5.099383459e-01 3.30 -4.911459635e-01 3.32 -4.729362976e-01 3.34 -4.552969101e-01 3.36 -4.382151785e-01 3.38 -4.216783480e-01 3.40 -4.056735791e-01 3.42 -3.901879899e-01 3.44 -3.752086946e-01 3.46 -3.607228376e-01 3.48 -3.467176239e-01 3.50 -3.331803466e-01 3.52 -3.200984105e-01 3.54 -3.074593536e-01 3.56 -2.952508661e-01 3.58 -2.834608060e-01 3.60 -2.720772136e-01 3.62 -2.610883241e-01 3.64 -2.504825770e-01 3.66 -2.402486259e-01 3.68 -2.303753449e-01 3.70 -2.208518351e-01 3.72 -2.116674292e-01 3.74 -2.028116948e-01 3.76 -1.942744372e-01 3.78 -1.860457013e-01 3.80 -1.781157722e-01 3.82 -1.704751754e-01 3.84 -1.631146764e-01 3.86 -1.560252798e-01 3.88 -1.491982274e-01 3.90 -1.426249963e-01 3.92 -1.362972965e-01 3.94 -1.302070681e-01 3.96 -1.243464783e-01 3.98 -1.187079175e-01 4.00 -1.132839966e-01 4.02 -1.080675425e-01 4.04 -1.030515940e-01 4.06 -9.822939860e-02 4.08 -9.359440723e-02 4.10 -8.914027058e-02 4.12 -8.486083453e-02 4.14 -8.075013569e-02 4.16 -7.680239696e-02 4.18 -7.301202306e-02 4.20 -6.937359603e-02 4.22 -6.588187072e-02 4.24 -6.253177039e-02 4.26 -5.931838219e-02 4.28 -5.623695282e-02 4.30 -5.328288419e-02 4.32 -5.045172906e-02 4.34 -4.773918684e-02 4.36 -4.514109939e-02 4.38 -4.265344691e-02 4.40 -4.027234397e-02 4.42 -3.799403547e-02 4.44 -3.581489260e-02 4.46 -3.373140916e-02 4.48 -3.174019788e-02 4.50 -2.983798671e-02 4.52 -2.802161528e-02 4.54 -2.628803139e-02 4.56 -2.463428765e-02 4.58 -2.305753808e-02 4.60 -2.155503497e-02 4.62 -2.012408668e-02 4.64 -1.876205856e-02 4.66 -1.746651562e-02 4.68 -1.623510554e-02 4.70 -1.506555189e-02 4.72 -1.395565263e-02 4.74 -1.290327848e-02 4.76 -1.190637122e-02 4.78 -1.096294197e-02 4.80 -1.007106940e-02 4.82 -9.228897887e-03 4.84 -8.434635741e-03 4.86 -7.686553339e-03 4.88 -6.982981318e-03 4.90 -6.322308756e-03 4.92 -5.702981379e-03 4.94 -5.123499785e-03 4.96 -4.582417704e-03 4.98 -4.078340276e-03 5.00 -3.609922377e-03 5.02 -3.175866968e-03 5.04 -2.774923489e-03 5.06 -2.405886290e-03 5.08 -2.067593105e-03 5.10 -1.758923557e-03 5.12 -1.478797720e-03 5.14 -1.226174706e-03 5.16 -1.000051306e-03 5.18 -7.994606619e-04 5.20 -6.234709900e-04 5.22 -4.711843335e-04 5.24 -3.417353623e-04 5.26 -2.342902088e-04 5.28 -1.480453423e-04 5.30 -8.222648079e-05 5.32 -3.608753926e-05 5.34 -8.909613760e-06 5.36 2.071340936e-11 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 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