# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--fictional-Cu-32 # implementation = 2016--Borovikov-V--fictional-Cu-32--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 Cu Cu 0.02 4.183503419e+13 0.04 1.683503419e+13 0.06 8.501700860e+12 0.08 4.335034193e+12 0.10 5.550412452e+11 0.12 3.887450657e+04 0.14 2.945549438e+04 0.16 2.288983726e+04 0.18 1.814111773e+04 0.20 1.460748664e+04 0.22 1.191796149e+04 0.24 9.832826387e+03 0.26 8.191189974e+03 0.28 6.881660320e+03 0.30 5.825105798e+03 0.32 4.964084747e+03 0.34 4.256127733e+03 0.36 3.669335140e+03 0.38 3.179414736e+03 0.40 2.767642006e+03 0.42 2.419427521e+03 0.44 2.123292945e+03 0.46 1.870127776e+03 0.48 1.652642468e+03 0.50 1.464961041e+03 0.52 1.302314228e+03 0.54 1.160806085e+03 0.56 1.037234848e+03 0.58 9.289542822e+02 0.60 8.337655540e+02 0.62 7.498323034e+02 0.64 6.756134829e+02 0.66 6.098099116e+02 0.68 5.513215203e+02 0.70 4.992129566e+02 0.72 4.526857637e+02 0.74 4.110557639e+02 0.76 3.737345852e+02 0.78 3.402145021e+02 0.80 3.100559431e+02 0.82 2.828771501e+02 0.84 2.583455858e+02 0.86 2.361707665e+02 0.88 2.160982591e+02 0.90 1.979046336e+02 0.92 1.813932041e+02 0.94 1.663904247e+02 0.96 1.527428274e+02 0.98 1.403144131e+02 1.00 1.289844278e+02 1.02 1.184625607e+02 1.04 1.085357496e+02 1.06 9.920448466e+01 1.08 9.046348413e+01 1.10 8.230248882e+01 1.12 7.470703420e+01 1.14 6.765918403e+01 1.16 6.113821651e+01 1.18 5.512125659e+01 1.20 4.958385051e+01 1.22 4.450048048e+01 1.24 3.984501916e+01 1.26 3.559112496e+01 1.28 3.171258035e+01 1.30 2.818357626e+01 1.32 2.497894620e+01 1.34 2.207435435e+01 1.36 1.944644183e+01 1.38 1.707293581e+01 1.40 1.493272579e+01 1.42 1.300591141e+01 1.44 1.127382589e+01 1.46 9.719039028e+00 1.48 8.325343141e+00 1.50 7.077725352e+00 1.52 5.962328986e+00 1.54 4.966406675e+00 1.56 4.078267398e+00 1.58 3.287219370e+00 1.60 2.583510402e+00 1.62 1.958267114e+00 1.64 1.403434098e+00 1.66 9.117139666e-01 1.68 4.765089670e-01 1.70 9.186474113e-02 1.72 -2.475833868e-01 1.74 -5.466613024e-01 1.76 -8.097039970e-01 1.78 -1.040600372e+00 1.80 -1.242834929e+00 1.82 -1.419526370e+00 1.84 -1.573463187e+00 1.86 -1.707136345e+00 1.88 -1.822769188e+00 1.90 -1.922344713e+00 1.92 -2.007630372e+00 1.94 -2.080200564e+00 1.96 -2.141456979e+00 1.98 -2.192646959e+00 2.00 -2.234880033e+00 2.02 -2.269142776e+00 2.04 -2.296312141e+00 2.06 -2.317167404e+00 2.08 -2.332400833e+00 2.10 -2.342627227e+00 2.12 -2.348098335e+00 2.14 -2.349889359e+00 2.16 -2.349325910e+00 2.18 -2.347234262e+00 2.20 -2.344078583e+00 2.22 -2.340071828e+00 2.24 -2.335263512e+00 2.26 -2.329607404e+00 2.28 -2.323011950e+00 2.30 -2.315376102e+00 2.32 -2.306612974e+00 2.34 -2.296663626e+00 2.36 -2.285503006e+00 2.38 -2.273139986e+00 2.40 -2.259613132e+00 2.42 -2.244983742e+00 2.44 -2.229327439e+00 2.46 -2.212725445e+00 2.48 -2.195256504e+00 2.50 -2.176990191e+00 2.52 -2.157982130e+00 2.54 -2.138271483e+00 2.56 -2.117880899e+00 2.58 -2.096818887e+00 2.60 -2.075084398e+00 2.62 -2.052673235e+00 2.64 -2.029585676e+00 2.66 -2.005834541e+00 2.68 -1.981452728e+00 2.70 -1.956499055e+00 2.72 -1.931061047e+00 2.74 -1.905253145e+00 2.76 -1.879208574e+00 2.78 -1.853062967e+00 2.80 -1.826927623e+00 2.82 -1.800855484e+00 2.84 -1.774855508e+00 2.86 -1.748933269e+00 2.88 -1.723095215e+00 2.90 -1.697348548e+00 2.92 -1.671701131e+00 2.94 -1.646161419e+00 2.96 -1.620738392e+00 2.98 -1.595441380e+00 3.00 -1.570280051e+00 3.02 -1.545264394e+00 3.04 -1.520404470e+00 3.06 -1.495710494e+00 3.08 -1.471192786e+00 3.10 -1.446861478e+00 3.12 -1.422726848e+00 3.14 -1.398798814e+00 3.16 -1.375087292e+00 3.18 -1.351601860e+00 3.20 -1.328351871e+00 3.22 -1.305346371e+00 3.24 -1.282593985e+00 3.26 -1.260102851e+00 3.28 -1.237880663e+00 3.30 -1.215934323e+00 3.32 -1.194270626e+00 3.34 -1.172895015e+00 3.36 -1.151813260e+00 3.38 -1.131029511e+00 3.40 -1.110547909e+00 3.42 -1.090372009e+00 3.44 -1.070503770e+00 3.46 -1.050945873e+00 3.48 -1.031699284e+00 3.50 -1.012764107e+00 3.52 -9.941412931e-01 3.54 -9.758295799e-01 3.56 -9.578269509e-01 3.58 -9.401325312e-01 3.60 -9.227438740e-01 3.62 -9.056561878e-01 3.64 -8.888664678e-01 3.66 -8.723722134e-01 3.68 -8.561666731e-01 3.70 -8.402436092e-01 3.72 -8.245986614e-01 3.74 -8.092281305e-01 3.76 -7.941226138e-01 3.78 -7.792732522e-01 3.80 -7.646744929e-01 3.82 -7.503217398e-01 3.84 -7.362096201e-01 3.86 -7.223219643e-01 3.88 -7.086505510e-01 3.90 -6.951904982e-01 3.92 -6.819378516e-01 3.94 -6.688894111e-01 3.96 -6.560300349e-01 3.98 -6.433347279e-01 4.00 -6.308030075e-01 4.02 -6.184353722e-01 4.04 -6.062326287e-01 4.06 -5.941958196e-01 4.08 -5.823261683e-01 4.10 -5.704784904e-01 4.12 -5.585274732e-01 4.14 -5.466016086e-01 4.16 -5.348092709e-01 4.18 -5.232393805e-01 4.20 -5.119639213e-01 4.22 -5.010401902e-01 4.24 -4.905128037e-01 4.26 -4.804154828e-01 4.28 -4.708900330e-01 4.30 -4.620207668e-01 4.32 -4.534995084e-01 4.34 -4.450657328e-01 4.36 -4.365123416e-01 4.38 -4.276785066e-01 4.40 -4.184433341e-01 4.42 -4.087202666e-01 4.44 -3.984521450e-01 4.46 -3.876068610e-01 4.48 -3.761735363e-01 4.50 -3.641591714e-01 4.52 -3.515856875e-01 4.54 -3.384870807e-01 4.56 -3.248421455e-01 4.58 -3.107391822e-01 4.60 -2.963693143e-01 4.62 -2.818948751e-01 4.64 -2.674526167e-01 4.66 -2.531565965e-01 4.68 -2.391007452e-01 4.70 -2.253611411e-01 4.72 -2.119980165e-01 4.74 -1.990575171e-01 4.76 -1.865732359e-01 4.78 -1.745675398e-01 4.80 -1.630527076e-01 4.82 -1.520321638e-01 4.84 -1.415041851e-01 4.86 -1.314652328e-01 4.88 -1.219103962e-01 4.90 -1.128335306e-01 4.92 -1.042273711e-01 4.94 -9.608362904e-02 4.96 -8.839307395e-02 4.98 -8.114560630e-02 5.00 -7.433032271e-02 5.02 -6.793557712e-02 5.04 -6.194903969e-02 5.06 -5.635775509e-02 5.08 -5.114820147e-02 5.10 -4.630635100e-02 5.12 -4.181773250e-02 5.14 -3.766749664e-02 5.16 -3.384048354e-02 5.18 -3.032129279e-02 5.20 -2.709435564e-02 5.22 -2.414400867e-02 5.24 -2.145456860e-02 5.26 -1.901040749e-02 5.28 -1.679602753e-02 5.30 -1.479613473e-02 5.32 -1.299571069e-02 5.34 -1.138008158e-02 5.36 -9.934983563e-03 5.38 -8.646623885e-03 5.40 -7.501736851e-03 5.42 -6.487634045e-03 5.44 -5.592248137e-03 5.46 -4.804169740e-03 5.48 -4.112676853e-03 5.50 -3.507756532e-03 5.52 -2.980118514e-03 5.54 -2.521200657e-03 5.56 -2.123166149e-03 5.58 -1.778892592e-03 5.60 -1.481953171e-03 5.62 -1.226590260e-03 5.64 -1.007681960e-03 5.66 -8.207022112e-04 5.68 -6.616752279e-04 5.70 -5.271252129e-04 5.72 -4.140223993e-04 5.74 -3.197266556e-04 5.76 -2.419300256e-04 5.78 -1.785997358e-04 5.80 -1.279233541e-04 5.82 -8.825794195e-05 5.84 -5.808519858e-05 5.86 -3.597475112e-05 5.88 -2.055790524e-05 5.90 -1.051432640e-05 5.92 -4.574281199e-06 5.94 -1.539226222e-06 5.96 -3.236905273e-07 5.98 -2.155619003e-08 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 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