# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Zhou-X-W-Ward-D-K-Foster-M-E--C-Cu # implementation = 2015--Zhou-X-W--C-Cu--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 C C C Cu Cu Cu 0.02 3.550734426e+02 0.000000000e+00 1.199822803e+04 0.04 3.550734426e+02 0.000000000e+00 1.123683333e+04 0.06 3.550734426e+02 0.000000000e+00 8.846444894e+03 0.08 3.550734426e+02 0.000000000e+00 7.336960494e+03 0.10 3.540888499e+02 0.000000000e+00 5.789160132e+03 0.12 2.686888600e+02 0.000000000e+00 4.769206836e+03 0.14 2.106205031e+02 0.000000000e+00 3.738488535e+03 0.16 1.693601384e+02 0.000000000e+00 3.085216996e+03 0.18 1.388026198e+02 0.000000000e+00 2.421847315e+03 0.20 1.154319548e+02 0.000000000e+00 2.000857366e+03 0.22 9.709212496e+01 0.000000000e+00 1.572464009e+03 0.24 8.239383336e+01 0.000000000e+00 1.300361214e+03 0.26 7.424775110e+04 0.000000000e+00 1.023259133e+03 0.28 2.222936437e+04 0.000000000e+00 8.470866345e+02 0.30 6.647438404e+03 0.000000000e+00 6.676563534e+02 0.32 1.990570172e+03 0.000000000e+00 5.534420922e+02 0.34 6.037173095e+02 0.000000000e+00 4.371517838e+02 0.36 1.925809975e+02 0.000000000e+00 3.630080531e+02 0.38 7.100082056e+01 0.000000000e+00 2.875664132e+02 0.40 3.455734397e+01 0.000000000e+00 2.393608324e+02 0.42 2.277526316e+01 0.000000000e+00 1.903605391e+02 0.44 1.798759237e+01 0.000000000e+00 1.589570453e+02 0.46 1.515699919e+01 0.000000000e+00 1.270797623e+02 0.48 1.291662832e+01 0.000000000e+00 1.065676850e+02 0.50 1.118327831e+01 0.000000000e+00 8.578382913e+01 0.52 9.165398175e+00 0.000000000e+00 7.233711668e+01 0.54 7.336944861e+00 0.000000000e+00 5.874394191e+01 0.56 5.675401796e+00 0.000000000e+00 4.988486004e+01 0.58 4.161274096e+00 0.000000000e+00 4.095564734e+01 0.60 2.778008464e+00 0.000000000e+00 3.507898246e+01 0.62 1.511483212e+00 0.000000000e+00 2.917753590e+01 0.64 3.495989643e-01 0.000000000e+00 2.524290632e+01 0.66 -7.180509137e-01 0.000000000e+00 2.130946340e+01 0.68 -1.700449592e+00 0.000000000e+00 1.864224454e+01 0.70 -2.605377387e+00 0.000000000e+00 1.599022089e+01 0.72 -3.439593610e+00 0.000000000e+00 1.415269621e+01 0.74 -4.208985885e+00 0.000000000e+00 1.233712713e+01 0.76 -4.918698146e+00 0.000000000e+00 1.104507123e+01 0.78 -5.573234081e+00 0.000000000e+00 9.777448049e+00 0.80 -6.176547423e+00 0.000000000e+00 8.846110022e+00 0.82 -6.732117369e+00 0.000000000e+00 7.939244944e+00 0.84 -7.243012770e+00 0.000000000e+00 7.248363320e+00 0.86 -7.711947419e+00 0.000000000e+00 6.580692338e+00 0.88 -8.141327542e+00 0.000000000e+00 6.051832518e+00 0.90 -8.533293577e+00 0.000000000e+00 5.544302475e+00 0.92 -8.889754680e+00 0.000000000e+00 5.126173981e+00 0.94 -9.212421725e+00 0.000000000e+00 4.727277062e+00 0.96 -9.502832750e+00 0.000000000e+00 4.386217943e+00 0.98 -9.762378410e+00 0.000000000e+00 4.061947069e+00 1.00 -9.992322928e+00 0.000000000e+00 3.770820222e+00 1.02 -1.019382260e+01 0.000000000e+00 3.504941725e+00 1.04 -1.036794253e+01 0.000000000e+00 3.256712086e+00 1.06 -1.051567176e+01 0.000000000e+00 3.026330930e+00 1.08 -1.063793620e+01 0.000000000e+00 2.809919853e+00 1.10 -1.073561051e+01 0.000000000e+00 2.606612035e+00 1.12 -1.080952826e+01 0.000000000e+00 2.414604675e+00 1.14 -1.086049149e+01 0.000000000e+00 2.232632189e+00 1.16 -1.088927880e+01 0.000000000e+00 2.060001438e+00 1.18 -1.089665238e+01 0.000000000e+00 1.895395705e+00 1.20 -1.088336436e+01 0.000000000e+00 1.738676274e+00 1.22 -1.085016231e+01 0.000000000e+00 1.588640433e+00 1.24 -1.079779382e+01 0.000000000e+00 1.445393811e+00 1.26 -1.072701026e+01 0.000000000e+00 1.307912045e+00 1.28 -1.063857001e+01 0.000000000e+00 1.176379328e+00 1.30 -1.053324112e+01 0.000000000e+00 1.049960961e+00 1.32 -1.041180283e+01 0.000000000e+00 9.288372088e-01 1.34 -1.027504706e+01 0.000000000e+00 8.123485882e-01 1.36 -1.012377883e+01 0.000000000e+00 7.006355892e-01 1.38 -9.958816590e+00 0.000000000e+00 5.931891819e-01 1.40 -9.780991583e+00 0.000000000e+00 4.900992022e-01 1.42 -9.591147059e+00 0.000000000e+00 3.909798104e-01 1.44 -9.390136724e+00 0.000000000e+00 2.958719920e-01 1.46 -9.178822981e+00 0.000000000e+00 2.044875575e-01 1.48 -8.958074678e+00 0.000000000e+00 1.168257590e-01 1.50 -8.728764367e+00 0.000000000e+00 3.267389525e-02 1.52 -8.491765404e+00 0.000000000e+00 -4.775438956e-02 1.54 -8.247948559e+00 0.000000000e+00 -1.217497881e-01 1.56 -7.998178553e+00 0.000000000e+00 -1.906545778e-01 1.58 -7.743309943e+00 0.000000000e+00 -2.577488453e-01 1.60 -7.484183339e+00 0.000000000e+00 -3.249904362e-01 1.62 -7.221620934e+00 0.000000000e+00 -3.911587520e-01 1.64 -6.956422146e+00 0.000000000e+00 -4.543196635e-01 1.66 -6.689359283e+00 0.000000000e+00 -5.145266819e-01 1.68 -6.421172758e+00 0.000000000e+00 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-1.190834984e+00 2.06 -1.750720696e+00 0.000000000e+00 -1.205979594e+00 2.08 -1.544966484e+00 0.000000000e+00 -1.219442403e+00 2.10 -1.345683344e+00 0.000000000e+00 -1.231269947e+00 2.12 -1.154116111e+00 0.000000000e+00 -1.241508031e+00 2.14 -9.718353767e-01 0.000000000e+00 -1.250201712e+00 2.16 -8.006987211e-01 0.000000000e+00 -1.257395331e+00 2.18 -6.427568822e-01 0.000000000e+00 -1.263132522e+00 2.20 -5.001029693e-01 0.000000000e+00 -1.267456213e+00 2.22 -3.746703250e-01 0.000000000e+00 -1.270408611e+00 2.24 -2.679887082e-01 0.000000000e+00 -1.272031204e+00 2.26 -1.809114785e-01 0.000000000e+00 -1.272364750e+00 2.28 -1.133423196e-01 0.000000000e+00 -1.271449258e+00 2.30 -6.400449783e-02 0.000000000e+00 -1.269323962e+00 2.32 -3.043434897e-02 0.000000000e+00 -1.266027309e+00 2.34 -9.804347518e-03 0.000000000e+00 -1.261596913e+00 2.36 -6.779884156e-04 0.000000000e+00 -1.256069591e+00 2.38 0.000000000e+00 0.000000000e+00 -1.249481224e+00 2.40 0.000000000e+00 0.000000000e+00 -1.241866832e+00 2.42 0.000000000e+00 0.000000000e+00 -1.233260507e+00 2.44 0.000000000e+00 0.000000000e+00 -1.223695350e+00 2.46 0.000000000e+00 0.000000000e+00 -1.213203488e+00 2.48 0.000000000e+00 0.000000000e+00 -1.201816034e+00 2.50 0.000000000e+00 0.000000000e+00 -1.189563049e+00 2.52 0.000000000e+00 0.000000000e+00 -1.176473533e+00 2.54 0.000000000e+00 0.000000000e+00 -1.162575400e+00 2.56 0.000000000e+00 0.000000000e+00 -1.147895466e+00 2.58 0.000000000e+00 0.000000000e+00 -1.132459445e+00 2.60 0.000000000e+00 0.000000000e+00 -1.116291948e+00 2.62 0.000000000e+00 0.000000000e+00 -1.099416483e+00 2.64 0.000000000e+00 0.000000000e+00 -1.081855489e+00 2.66 0.000000000e+00 0.000000000e+00 -1.063630351e+00 2.68 0.000000000e+00 0.000000000e+00 -1.044761449e+00 2.70 0.000000000e+00 0.000000000e+00 -1.025268211e+00 2.72 0.000000000e+00 0.000000000e+00 -1.005169193e+00 2.74 0.000000000e+00 0.000000000e+00 -9.844821555e-01 2.76 0.000000000e+00 0.000000000e+00 -9.632241938e-01 2.78 0.000000000e+00 0.000000000e+00 -9.414118527e-01 2.80 0.000000000e+00 0.000000000e+00 -9.190612947e-01 2.82 0.000000000e+00 0.000000000e+00 -8.961884765e-01 2.84 0.000000000e+00 0.000000000e+00 -8.728093674e-01 2.86 0.000000000e+00 0.000000000e+00 -8.489401867e-01 2.88 0.000000000e+00 0.000000000e+00 -8.245976701e-01 2.90 0.000000000e+00 0.000000000e+00 -7.997993869e-01 2.92 0.000000000e+00 0.000000000e+00 -7.745640687e-01 2.94 0.000000000e+00 0.000000000e+00 -7.489119841e-01 2.96 0.000000000e+00 0.000000000e+00 -7.228653448e-01 2.98 0.000000000e+00 0.000000000e+00 -6.964487383e-01 3.00 0.000000000e+00 0.000000000e+00 -6.696895872e-01 3.02 0.000000000e+00 0.000000000e+00 -6.426186367e-01 3.04 0.000000000e+00 0.000000000e+00 -6.152704471e-01 3.06 0.000000000e+00 0.000000000e+00 -5.876839060e-01 3.08 0.000000000e+00 0.000000000e+00 -5.599027119e-01 3.10 0.000000000e+00 0.000000000e+00 -5.319758625e-01 3.12 0.000000000e+00 0.000000000e+00 -5.039580785e-01 3.14 0.000000000e+00 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