# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Zhou-X-W-Ward-D-K-Foster-M-Zimmerman-J-A--Cu-H # implementation = 2015--Zhou-X-W--Cu-H--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 Cu H H H 0.02 1.988386338e+02 2.062160447e+02 2.041293013e+02 0.04 1.988386338e+02 2.062160447e+02 2.041293013e+02 0.06 1.988386338e+02 2.062160447e+02 2.041293013e+02 0.08 1.988386338e+02 2.062160447e+02 2.041293013e+02 0.10 1.979385522e+02 2.057629773e+02 2.035755709e+02 0.12 1.547352764e+02 1.571647625e+02 1.444532689e+02 0.14 1.248788252e+02 1.243983005e+02 1.059630033e+02 0.16 1.035047964e+02 1.012166072e+02 7.967665347e+01 0.18 8.755170457e+01 8.409748630e+01 6.095174285e+01 0.20 7.525344586e+01 7.102759315e+01 4.717620669e+01 0.22 6.552474945e+01 6.078004269e+01 3.678206840e+01 0.24 5.766458441e+01 5.256843580e+01 2.877875419e+01 0.26 5.120140933e+01 4.586762186e+01 2.251402526e+01 0.28 4.580723653e+01 4.031480671e+01 1.754347523e+01 0.30 4.124740040e+01 3.565209616e+01 1.355547701e+01 0.32 3.734991020e+01 3.169163984e+01 1.032609512e+01 0.34 3.398605984e+01 2.829369576e+01 7.690978559e+00 0.36 3.105776914e+01 2.535238312e+01 5.527272008e+00 0.38 2.848909116e+01 2.278616943e+01 3.741647465e+00 0.40 2.622037737e+01 2.053136506e+01 2.262191296e+00 0.42 2.420418209e+01 1.853757860e+01 1.032784175e+00 0.44 2.240233433e+01 1.676447870e+01 9.134160149e-03 0.46 2.078380631e+01 1.517945034e+01 -8.440747968e-01 0.48 1.932314077e+01 1.375586778e+01 -1.555259995e+00 0.50 1.799927133e+01 1.247180929e+01 -2.147479936e+00 0.52 1.679462958e+01 1.130908305e+01 -2.639586156e+00 0.54 1.569445801e+01 1.025248383e+01 -3.047097301e+00 0.56 1.468627874e+01 9.289218015e+00 -3.382869143e+00 0.58 1.375947644e+01 8.408454898e+00 -3.657612823e+00 0.60 1.290496906e+01 7.600973318e+00 -3.880299962e+00 0.62 1.211494550e+01 6.858880503e+00 -4.058481361e+00 0.64 1.138265462e+01 6.175387545e+00 -4.198540504e+00 0.66 1.070223470e+01 5.544627257e+00 -4.305896098e+00 0.68 1.006857437e+01 4.961507454e+00 -4.385165108e+00 0.70 9.477198628e+00 4.421589623e+00 -4.440294948e+00 0.72 8.924175002e+00 3.920990217e+00 -4.474671314e+00 0.74 8.406035183e+00 3.456298391e+00 -4.491206429e+00 0.76 7.919710284e+00 3.024507557e+00 -4.492411989e+00 0.78 7.462476269e+00 2.622958248e+00 -4.480459375e+00 0.80 7.031907892e+00 2.249290253e+00 -4.457229850e+00 0.82 6.625839894e+00 1.901402001e+00 -4.424356578e+00 0.84 6.242334080e+00 1.577416061e+00 -4.383259719e+00 0.86 5.879650967e+00 1.275649936e+00 -4.335176130e+00 0.88 5.536225746e+00 9.945911299e-01 -4.281184469e+00 0.90 5.210647785e+00 7.328755875e-01 -4.222226417e+00 0.92 4.901642170e+00 4.892692076e-01 -4.159124781e+00 0.94 4.608054711e+00 2.626520062e-01 -4.092598964e+00 0.96 4.328838337e+00 5.200422868e-02 -4.023278205e+00 0.98 4.063041340e+00 -1.436056359e-01 -3.951712894e+00 1.00 3.809797096e+00 -3.250312779e-01 -3.878384308e+00 1.02 3.568315277e+00 -4.930577094e-01 -3.803713017e+00 1.04 3.337873798e+00 -6.484091455e-01 -3.728066188e+00 1.06 3.117811837e+00 -7.917560659e-01 -3.651763681e+00 1.08 2.907523889e+00 -9.237212720e-01 -3.575083602e+00 1.10 2.706454213e+00 -1.044885268e+00 -3.498266807e+00 1.12 2.514092059e+00 -1.155791019e+00 -3.421521014e+00 1.14 2.329967351e+00 -1.256948045e+00 -3.345024168e+00 1.16 2.153646849e+00 -1.348836119e+00 -3.268927398e+00 1.18 1.984730775e+00 -1.431908436e+00 -3.193357522e+00 1.20 1.822849766e+00 -1.506594502e+00 -3.118419124e+00 1.22 1.667662078e+00 -1.573302575e+00 -3.044196362e+00 1.24 1.518851199e+00 -1.632421812e+00 -2.970754271e+00 1.26 1.376123555e+00 -1.684324249e+00 -2.898140007e+00 1.28 1.239206546e+00 -1.729366456e+00 -2.826383620e+00 1.30 1.107846765e+00 -1.767890962e+00 -2.755498749e+00 1.32 9.818082892e-01 -1.800227514e+00 -2.685482849e+00 1.34 8.608712517e-01 -1.826694213e+00 -2.616317484e+00 1.36 7.448304868e-01 -1.847598452e+00 -2.547968195e+00 1.38 6.334943289e-01 -1.863237659e+00 -2.480384282e+00 1.40 5.266834079e-01 -1.873900031e+00 -2.413498425e+00 1.42 4.242297113e-01 -1.879865077e+00 -2.347226167e+00 1.44 3.259756769e-01 -1.881404116e+00 -2.281465289e+00 1.46 2.317732373e-01 -1.878780645e+00 -2.216095078e+00 1.48 1.414831409e-01 -1.872250584e+00 -2.150975822e+00 1.50 5.497421638e-02 -1.862062592e+00 -2.085948081e+00 1.52 -2.787732983e-02 -1.848458125e+00 -2.020832520e+00 1.54 -1.071884421e-01 -1.831671635e+00 -1.955429778e+00 1.56 -1.830698086e-01 -1.811930535e+00 -1.889521128e+00 1.58 -2.556263732e-01 -1.789455204e+00 -1.822869801e+00 1.60 -3.249577602e-01 -1.764458904e+00 -1.755223379e+00 1.62 -3.911587520e-01 -1.737147703e+00 -1.686317645e+00 1.64 -4.543196635e-01 -1.707720310e+00 -1.615882306e+00 1.66 -5.145266819e-01 -1.676367798e+00 -1.543648995e+00 1.68 -5.718622417e-01 -1.643273443e+00 -1.469362075e+00 1.70 -6.264053270e-01 -1.608612347e+00 -1.392792836e+00 1.72 -6.782317184e-01 -1.572551069e+00 -1.313757409e+00 1.74 -7.274142687e-01 -1.535247266e+00 -1.232138725e+00 1.76 -7.740231670e-01 -1.496849167e+00 -1.147912433e+00 1.78 -8.181261774e-01 -1.457495036e+00 -1.061176240e+00 1.80 -8.597887463e-01 -1.417312579e+00 -9.721812829e-01 1.82 -8.990743047e-01 -1.376418238e+00 -8.813632365e-01 1.84 -9.360443620e-01 -1.334916481e+00 -7.893694485e-01 1.86 -9.707586570e-01 -1.292898915e+00 -6.970770352e-01 1.88 -1.003275363e+00 -1.250443454e+00 -6.055954819e-01 1.90 -1.033651168e+00 -1.207613343e+00 -5.162465793e-01 1.92 -1.061941364e+00 -1.164456179e+00 -4.305150108e-01 1.94 -1.088200028e+00 -1.121002937e+00 -3.499654578e-01 1.96 -1.112480023e+00 -1.077267045e+00 -2.761270771e-01 1.98 -1.134833190e+00 -1.033243585e+00 -2.103531298e-01 2.00 -1.155310322e+00 -9.889087757e-01 -1.536710335e-01 2.02 -1.173961258e+00 -9.442198438e-01 -1.066473936e-01 2.04 -1.190834984e+00 -8.991155776e-01 -6.929202395e-02 2.06 -1.205979594e+00 -8.535178421e-01 -4.101760753e-02 2.08 -1.219442403e+00 -8.073344735e-01 -2.065494923e-02 2.10 -1.231269947e+00 -7.604640893e-01 -6.527949189e-03 2.12 -1.241508031e+00 -7.128034673e-01 0.000000000e+00 2.14 -1.250201712e+00 -6.642582134e-01 0.000000000e+00 2.16 -1.257395331e+00 -6.147575303e-01 0.000000000e+00 2.18 -1.263132522e+00 -5.642737855e-01 0.000000000e+00 2.20 -1.267456213e+00 -5.128472668e-01 0.000000000e+00 2.22 -1.270408611e+00 -4.606158181e-01 0.000000000e+00 2.24 -1.272031204e+00 -4.078478677e-01 0.000000000e+00 2.26 -1.272364750e+00 -3.549754074e-01 0.000000000e+00 2.28 -1.271449258e+00 -3.026208813e-01 0.000000000e+00 2.30 -1.269323962e+00 -2.516088353e-01 0.000000000e+00 2.32 -1.266027309e+00 -2.029504429e-01 0.000000000e+00 2.34 -1.261596913e+00 -1.577881172e-01 0.000000000e+00 2.36 -1.256069591e+00 -1.172908489e-01 0.000000000e+00 2.38 -1.249481224e+00 -8.250105488e-02 0.000000000e+00 2.40 -1.241866832e+00 -5.415173727e-02 0.000000000e+00 2.42 -1.233260507e+00 -3.249542601e-02 0.000000000e+00 2.44 -1.223695350e+00 -1.720387073e-02 0.000000000e+00 2.46 -1.213203488e+00 -6.406284232e-03 0.000000000e+00 2.48 -1.201816034e+00 -5.526689325e-04 0.000000000e+00 2.50 -1.189563049e+00 0.000000000e+00 0.000000000e+00 2.52 -1.176473533e+00 0.000000000e+00 0.000000000e+00 2.54 -1.162575400e+00 0.000000000e+00 0.000000000e+00 2.56 -1.147895466e+00 0.000000000e+00 0.000000000e+00 2.58 -1.132459445e+00 0.000000000e+00 0.000000000e+00 2.60 -1.116291948e+00 0.000000000e+00 0.000000000e+00 2.62 -1.099416483e+00 0.000000000e+00 0.000000000e+00 2.64 -1.081855489e+00 0.000000000e+00 0.000000000e+00 2.66 -1.063630351e+00 0.000000000e+00 0.000000000e+00 2.68 -1.044761449e+00 0.000000000e+00 0.000000000e+00 2.70 -1.025268211e+00 0.000000000e+00 0.000000000e+00 2.72 -1.005169193e+00 0.000000000e+00 0.000000000e+00 2.74 -9.844821555e-01 0.000000000e+00 0.000000000e+00 2.76 -9.632241938e-01 0.000000000e+00 0.000000000e+00 2.78 -9.414118527e-01 0.000000000e+00 0.000000000e+00 2.80 -9.190612947e-01 0.000000000e+00 0.000000000e+00 2.82 -8.961884765e-01 0.000000000e+00 0.000000000e+00 2.84 -8.728093674e-01 0.000000000e+00 0.000000000e+00 2.86 -8.489401867e-01 0.000000000e+00 0.000000000e+00 2.88 -8.245976701e-01 0.000000000e+00 0.000000000e+00 2.90 -7.997993869e-01 0.000000000e+00 0.000000000e+00 2.92 -7.745640687e-01 0.000000000e+00 0.000000000e+00 2.94 -7.489119841e-01 0.000000000e+00 0.000000000e+00 2.96 -7.228653448e-01 0.000000000e+00 0.000000000e+00 2.98 -6.964487383e-01 0.000000000e+00 0.000000000e+00 3.00 -6.696895872e-01 0.000000000e+00 0.000000000e+00 3.02 -6.426186367e-01 0.000000000e+00 0.000000000e+00 3.04 -6.152704471e-01 0.000000000e+00 0.000000000e+00 3.06 -5.876839060e-01 0.000000000e+00 0.000000000e+00 3.08 -5.599027119e-01 0.000000000e+00 0.000000000e+00 3.10 -5.319758625e-01 0.000000000e+00 0.000000000e+00 3.12 -5.039580785e-01 0.000000000e+00 0.000000000e+00 3.14 -4.759101829e-01 0.000000000e+00 0.000000000e+00 3.16 -4.478993873e-01 0.000000000e+00 0.000000000e+00 3.18 -4.199994541e-01 0.000000000e+00 0.000000000e+00 3.20 -3.922907314e-01 0.000000000e+00 0.000000000e+00 3.22 -3.648599947e-01 0.000000000e+00 0.000000000e+00 3.24 -3.378000750e-01 0.000000000e+00 0.000000000e+00 3.26 -3.112092462e-01 0.000000000e+00 0.000000000e+00 3.28 -2.851903283e-01 0.000000000e+00 0.000000000e+00 3.30 -2.598494947e-01 0.000000000e+00 0.000000000e+00 3.32 -2.352947503e-01 0.000000000e+00 0.000000000e+00 3.34 -2.116340808e-01 0.000000000e+00 0.000000000e+00 3.36 -1.889732862e-01 0.000000000e+00 0.000000000e+00 3.38 -1.674135146e-01 0.000000000e+00 0.000000000e+00 3.40 -1.470487286e-01 0.000000000e+00 0.000000000e+00 3.42 -1.279630037e-01 0.000000000e+00 0.000000000e+00 3.44 -1.102275269e-01 0.000000000e+00 0.000000000e+00 3.46 -9.389735408e-02 0.000000000e+00 0.000000000e+00 3.48 -7.900929199e-02 0.000000000e+00 0.000000000e+00 3.50 -6.557947657e-02 0.000000000e+00 0.000000000e+00 3.52 -5.360156932e-02 0.000000000e+00 0.000000000e+00 3.54 -4.304554614e-02 0.000000000e+00 0.000000000e+00 3.56 -3.385719046e-02 0.000000000e+00 0.000000000e+00 3.58 -2.595853208e-02 0.000000000e+00 0.000000000e+00 3.60 -1.925005664e-02 0.000000000e+00 0.000000000e+00 3.62 -1.361761865e-02 0.000000000e+00 0.000000000e+00 3.64 -8.952823842e-03 0.000000000e+00 0.000000000e+00 3.66 -5.203077961e-03 0.000000000e+00 0.000000000e+00 3.68 -2.436640756e-03 0.000000000e+00 0.000000000e+00 3.70 -7.715746525e-04 0.000000000e+00 0.000000000e+00 3.72 3.075264254e-05 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 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