# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-1 # implementation = 2015--Borovikov-V--fictional-Cu-1--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 3.887460208e+04 0.14 2.945558512e+04 0.16 2.288992327e+04 0.18 1.814119908e+04 0.20 1.460756341e+04 0.22 1.191803379e+04 0.24 9.832894342e+03 0.26 8.191253700e+03 0.28 6.881719867e+03 0.30 5.825161129e+03 0.32 4.964135762e+03 0.34 4.256174304e+03 0.36 3.669377150e+03 0.38 3.179452105e+03 0.40 2.767674719e+03 0.42 2.419455648e+03 0.44 2.123316661e+03 0.46 1.870147363e+03 0.48 1.652658297e+03 0.50 1.464973537e+03 0.52 1.302323848e+03 0.54 1.160813293e+03 0.56 1.037240092e+03 0.58 9.289579800e+02 0.60 8.337680774e+02 0.62 7.498339661e+02 0.64 6.756145345e+02 0.66 6.098105437e+02 0.68 5.513218765e+02 0.70 4.992131410e+02 0.72 4.526858486e+02 0.74 4.110557970e+02 0.76 3.737345950e+02 0.78 3.402145038e+02 0.80 3.100559432e+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 1.289844241e+02 1.02 1.185799574e+02 1.04 1.089594474e+02 1.06 1.000633077e+02 1.08 9.183681727e+01 1.10 8.422968085e+01 1.12 7.719563332e+01 1.14 7.069208316e+01 1.16 6.467978989e+01 1.18 5.912257245e+01 1.20 5.398704536e+01 1.22 4.924237970e+01 1.24 4.486008662e+01 1.26 4.081382097e+01 1.28 3.707920317e+01 1.30 3.363365747e+01 1.32 3.045626501e+01 1.34 2.752763022e+01 1.36 2.482975934e+01 1.38 2.234594973e+01 1.40 2.006068919e+01 1.42 1.795956403e+01 1.44 1.602917535e+01 1.46 1.425706247e+01 1.48 1.263163311e+01 1.50 1.114209944e+01 1.52 9.778419628e+00 1.54 8.531244221e+00 1.56 7.391867057e+00 1.58 6.352180147e+00 1.60 5.404632241e+00 1.62 4.542190705e+00 1.64 3.758306394e+00 1.66 3.046881265e+00 1.68 2.402238453e+00 1.70 1.819094599e+00 1.72 1.292534213e+00 1.74 8.179858945e-01 1.76 3.912002281e-01 1.78 8.229222013e-03 1.80 -3.345928654e-01 1.82 -6.406674226e-01 1.84 -9.131482219e-01 1.86 -1.154957093e+00 1.88 -1.368798621e+00 1.90 -1.557173957e+00 1.92 -1.722393793e+00 1.94 -1.866590591e+00 1.96 -1.991730101e+00 1.98 -2.099622228e+00 2.00 -2.191931017e+00 2.02 -2.261995861e+00 2.04 -2.307820402e+00 2.06 -2.336433790e+00 2.08 -2.353126539e+00 2.10 -2.361786596e+00 2.12 -2.365187604e+00 2.14 -2.365234055e+00 2.16 -2.363167521e+00 2.18 -2.359737973e+00 2.20 -2.355343988e+00 2.22 -2.350145436e+00 2.24 -2.344152046e+00 2.26 -2.337291053e+00 2.28 -2.329456908e+00 2.30 -2.320545853e+00 2.32 -2.310477940e+00 2.34 -2.299208904e+00 2.36 -2.286734044e+00 2.38 -2.273086140e+00 2.40 -2.258329150e+00 2.42 -2.242549287e+00 2.44 -2.225844849e+00 2.46 -2.208315963e+00 2.48 -2.190055290e+00 2.50 -2.171140426e+00 2.52 -2.151628577e+00 2.54 -2.131553874e+00 2.56 -2.110927506e+00 2.58 -2.089740649e+00 2.60 -2.067969945e+00 2.62 -2.045585109e+00 2.64 -2.022558024e+00 2.66 -1.998872497e+00 2.68 -1.974533627e+00 2.70 -1.949575558e+00 2.72 -1.924066168e+00 2.74 -1.898107058e+00 2.76 -1.871827000e+00 2.78 -1.845366785e+00 2.80 -1.818853244e+00 2.82 -1.792364724e+00 2.84 -1.765937952e+00 2.86 -1.739601617e+00 2.88 -1.713380535e+00 2.90 -1.687296084e+00 2.92 -1.661366609e+00 2.94 -1.635607832e+00 2.96 -1.610033219e+00 2.98 -1.584654199e+00 3.00 -1.559480521e+00 3.02 -1.534520571e+00 3.04 -1.509781429e+00 3.06 -1.485269224e+00 3.08 -1.460989337e+00 3.10 -1.436946329e+00 3.12 -1.413144470e+00 3.14 -1.389587423e+00 3.16 -1.366278739e+00 3.18 -1.343221670e+00 3.20 -1.320419390e+00 3.22 -1.297875013e+00 3.24 -1.275591564e+00 3.26 -1.253571976e+00 3.28 -1.231819186e+00 3.30 -1.210335829e+00 3.32 -1.189124950e+00 3.34 -1.168188771e+00 3.36 -1.147530388e+00 3.38 -1.127151808e+00 3.40 -1.107055564e+00 3.42 -1.087244109e+00 3.44 -1.067718796e+00 3.46 -1.048482153e+00 3.48 -1.029535423e+00 3.50 -1.010879380e+00 3.52 -9.925159917e-01 3.54 -9.744453233e-01 3.56 -9.566669489e-01 3.58 -9.391818043e-01 3.60 -9.219894261e-01 3.62 -9.050871346e-01 3.64 -8.884741195e-01 3.66 -8.721501133e-01 3.68 -8.561105937e-01 3.70 -8.403515076e-01 3.72 -8.248705962e-01 3.74 -8.096661432e-01 3.76 -7.947305765e-01 3.78 -7.800566865e-01 3.80 -7.656403616e-01 3.82 -7.514782168e-01 3.84 -7.375658412e-01 3.86 -7.238877627e-01 3.88 -7.104361824e-01 3.90 -6.972063593e-01 3.92 -6.841941957e-01 3.94 -6.713960659e-01 3.96 -6.587961252e-01 3.98 -6.463684089e-01 4.00 -6.341112112e-01 4.02 -6.220235722e-01 4.04 -6.101046252e-01 4.06 -5.983535495e-01 4.08 -5.867695431e-01 4.10 -5.752052647e-01 4.12 -5.635331466e-01 4.14 -5.518793630e-01 4.16 -5.403499451e-01 4.18 -5.290314837e-01 4.20 -5.179936865e-01 4.22 -5.072916681e-01 4.24 -4.969679963e-01 4.26 -4.870545176e-01 4.28 -4.776913749e-01 4.30 -4.689614676e-01 4.32 -4.605554901e-01 4.34 -4.522121028e-01 4.36 -4.437237346e-01 4.38 -4.349294496e-01 4.40 -4.257086287e-01 4.42 -4.159753828e-01 4.44 -4.056736183e-01 4.46 -3.947726859e-01 4.48 -3.832635468e-01 4.50 -3.711553987e-01 4.52 -3.584726837e-01 4.54 -3.452521969e-01 4.56 -3.314757506e-01 4.58 -3.172348097e-01 4.60 -3.027237201e-01 4.62 -2.881079906e-01 4.64 -2.735273802e-01 4.66 -2.590986425e-01 4.68 -2.449179325e-01 4.70 -2.310628982e-01 4.72 -2.175944807e-01 4.74 -2.045584435e-01 4.76 -1.919866507e-01 4.78 -1.798981106e-01 4.80 -1.682998024e-01 4.82 -1.571878111e-01 4.84 -1.465533231e-01 4.86 -1.363881653e-01 4.88 -1.266850198e-01 4.90 -1.174371374e-01 4.92 -1.086380746e-01 4.94 -1.002814582e-01 4.96 -9.236077694e-02 4.98 -8.486920173e-02 5.00 -7.779943516e-02 5.02 -7.114358911e-02 5.04 -6.489309050e-02 5.06 -5.903861411e-02 5.08 -5.357004119e-02 5.10 -4.847644238e-02 5.12 -4.374608321e-02 5.14 -3.936645040e-02 5.16 -3.532429683e-02 5.18 -3.160570298e-02 5.20 -2.819615291e-02 5.22 -2.508062218e-02 5.24 -2.224367566e-02 5.26 -1.966957291e-02 5.28 -1.734237879e-02 5.30 -1.524607728e-02 5.32 -1.336468622e-02 5.34 -1.168237105e-02 5.36 -1.018355557e-02 5.38 -8.853027952e-03 5.40 -7.676040309e-03 5.42 -6.638400332e-03 5.44 -5.726553635e-03 5.46 -4.927655636e-03 5.48 -4.229631975e-03 5.50 -3.621226685e-03 5.52 -3.092037503e-03 5.54 -2.632537948e-03 5.56 -2.234085986e-03 5.58 -1.888919336e-03 5.60 -1.590137691e-03 5.62 -1.331672364e-03 5.64 -1.108244106e-03 5.66 -9.153100640e-04 5.68 -7.490011328e-04 5.70 -6.060511347e-04 5.72 -4.837195719e-04 5.74 -3.797099027e-04 5.76 -2.920855620e-04 5.78 -2.191861931e-04 5.80 -1.595468114e-04 5.82 -1.118228757e-04 5.84 -7.472449475e-05 5.86 -4.696325469e-05 5.88 -2.721540588e-05 5.90 -1.410540582e-05 5.92 -6.214068972e-06 5.94 -2.115831611e-06 5.96 -4.498956542e-07 5.98 -3.027197634e-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 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