# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co # implementation = 2020--Wang-J--Cu-Co--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 Co Co Co Cu Cu Cu 0.02 4.395216799e+02 1.096796139e+03 1.066119302e+03 0.04 4.168436784e+02 1.028929213e+03 1.004671343e+03 0.06 3.952557510e+02 9.650895987e+02 9.466267788e+02 0.08 3.747081272e+02 9.050522714e+02 8.918022675e+02 0.10 3.551532128e+02 8.486041808e+02 8.400241260e+02 0.12 3.365454980e+02 7.955435655e+02 7.911278290e+02 0.14 3.188414699e+02 7.456793097e+02 7.449575364e+02 0.16 3.019995285e+02 6.988303426e+02 7.013656435e+02 0.18 2.859799056e+02 6.548250775e+02 6.602123541e+02 0.20 2.707445875e+02 6.135008908e+02 6.213652763e+02 0.22 2.562572406e+02 5.747036379e+02 5.846990374e+02 0.24 2.424831403e+02 5.382872043e+02 5.500949199e+02 0.26 2.293891023e+02 5.041130909e+02 5.174405149e+02 0.28 2.169434171e+02 4.720500296e+02 4.866293939e+02 0.30 2.051157871e+02 4.419736275e+02 4.575607973e+02 0.32 1.938772663e+02 4.137660380e+02 4.301393385e+02 0.34 1.832002023e+02 3.873156550e+02 4.042747234e+02 0.36 1.730581810e+02 3.625168271e+02 3.798814843e+02 0.38 1.634259733e+02 3.392695919e+02 3.568787272e+02 0.40 1.542794840e+02 3.174794250e+02 3.351898926e+02 0.42 1.455957031e+02 2.970570026e+02 3.147425279e+02 0.44 1.373526588e+02 2.779179763e+02 2.954680719e+02 0.46 1.295293724e+02 2.599827567e+02 2.773016507e+02 0.48 1.221058157e+02 2.431763056e+02 2.601818831e+02 0.50 1.150628693e+02 2.274279343e+02 2.440506976e+02 0.52 1.083822833e+02 2.126711079e+02 2.288531570e+02 0.54 1.020466393e+02 1.988432542e+02 2.145372936e+02 0.56 9.603931392e+01 1.858855763e+02 2.010539522e+02 0.58 9.034444437e+01 1.737428700e+02 1.883566414e+02 0.60 8.494689483e+01 1.623633440e+02 1.764013925e+02 0.62 7.983222463e+01 1.516984444e+02 1.651466258e+02 0.64 7.498665764e+01 1.417026830e+02 1.545530237e+02 0.66 7.039705298e+01 1.323334697e+02 1.445834110e+02 0.68 6.605087695e+01 1.235509497e+02 1.352026404e+02 0.70 6.193617616e+01 1.153178449e+02 1.263774848e+02 0.72 5.804155182e+01 1.075993015e+02 1.180765349e+02 0.74 5.435613508e+01 1.003627422e+02 1.102701022e+02 0.76 5.086956343e+01 9.357772477e+01 1.029301271e+02 0.78 4.757195817e+01 8.721580667e+01 9.603009146e+01 0.80 4.445390273e+01 8.125041570e+01 8.954493649e+01 0.82 4.150642201e+01 7.565672730e+01 8.345098414e+01 0.84 3.872096257e+01 7.041154816e+01 7.772586306e+01 0.86 3.608937367e+01 6.549320637e+01 7.234843838e+01 0.88 3.360388916e+01 6.088144794e+01 6.729874512e+01 0.90 3.125711005e+01 5.655733959e+01 6.255792516e+01 0.92 2.904198801e+01 5.250317771e+01 5.810816744e+01 0.94 2.695180938e+01 4.870240321e+01 5.393265149e+01 0.96 2.498018004e+01 4.513952216e+01 5.001549373e+01 0.98 2.312101085e+01 4.180003178e+01 4.634169677e+01 1.00 2.136850375e+01 3.867035173e+01 4.289710130e+01 1.02 1.971713846e+01 3.573776021e+01 3.966834061e+01 1.04 1.816165976e+01 3.299033480e+01 3.664279743e+01 1.06 1.669706536e+01 3.041689750e+01 3.380856312e+01 1.08 1.531859425e+01 2.800696397e+01 3.115439905e+01 1.10 1.402171560e+01 2.575069643e+01 2.866969995e+01 1.12 1.280211815e+01 2.363886015e+01 2.634445933e+01 1.14 1.165570005e+01 2.166278315e+01 2.416923663e+01 1.16 1.057855920e+01 1.981431890e+01 2.213512621e+01 1.18 9.566983934e+00 1.808581187e+01 2.023372795e+01 1.20 8.617444215e+00 1.647006552e+01 1.845711945e+01 1.22 7.726583172e+00 1.496031276e+01 1.679782971e+01 1.24 6.891209035e+00 1.355018851e+01 1.524881423e+01 1.26 6.108287434e+00 1.223370426e+01 1.380343142e+01 1.28 5.374934054e+00 1.100522446e+01 1.245542035e+01 1.30 4.688407618e+00 9.859444638e+00 1.119887958e+01 1.32 4.046103208e+00 8.791370978e+00 1.002824727e+01 1.34 3.445545882e+00 7.796301383e+00 8.938282280e+00 1.36 2.884384605e+00 6.869807816e+00 7.924046279e+00 1.38 2.360386457e+00 6.007719837e+00 6.980886891e+00 1.40 1.871431125e+00 5.206109258e+00 6.104421697e+00 1.42 1.415505660e+00 4.461275804e+00 5.290523138e+00 1.44 9.906994860e-01 3.769733716e+00 4.535304218e+00 1.46 5.951996693e-01 3.128199224e+00 3.835105001e+00 1.48 2.272864137e-01 2.533578811e+00 3.186479838e+00 1.50 -1.146712042e-01 1.982958227e+00 2.586185293e+00 1.52 -4.322192804e-01 1.473592186e+00 2.031168732e+00 1.54 -7.268229120e-01 1.002894700e+00 1.518557539e+00 1.56 -9.998698179e-01 5.684300051e-01 1.045648924e+00 1.58 -1.252673759e+00 1.679040393e-01 6.099002958e-01 1.60 -1.486477762e+00 -2.008435677e-01 2.089201678e-01 1.62 -1.702457164e+00 -5.398470254e-01 -1.595404345e-01 1.64 -1.901722468e+00 -8.510214669e-01 -4.975960858e-01 1.66 -2.085322037e+00 -1.136169614e+00 -8.072346224e-01 1.68 -2.254244621e+00 -1.396988055e+00 -1.090324377e+00 1.70 -2.409421736e+00 -1.635073147e+00 -1.348621011e+00 1.72 -2.551729897e+00 -1.851926586e+00 -1.583773965e+00 1.74 -2.681992722e+00 -2.048960645e+00 -1.797332553e+00 1.76 -2.800982924e+00 -2.227503113e+00 -1.990751716e+00 1.78 -2.909424191e+00 -2.388801949e+00 -2.165397460e+00 1.80 -3.007992984e+00 -2.534029665e+00 -2.322551998e+00 1.82 -3.097320267e+00 -2.664287463e+00 -2.463418601e+00 1.84 -3.177993175e+00 -2.780609131e+00 -2.589126198e+00 1.86 -3.250556649e+00 -2.883964722e+00 -2.700733716e+00 1.88 -3.315515062e+00 -2.975264025e+00 -2.799234187e+00 1.90 -3.373333834e+00 -3.055359836e+00 -2.885558643e+00 1.92 -3.424441070e+00 -3.125051064e+00 -2.960579784e+00 1.94 -3.469229239e+00 -3.185085653e+00 -3.025115464e+00 1.96 -3.508056896e+00 -3.236163368e+00 -3.079931974e+00 1.98 -3.541250488e+00 -3.278938423e+00 -3.125747156e+00 2.00 -3.569106235e+00 -3.314021998e+00 -3.163233334e+00 2.02 -3.591892140e+00 -3.341984628e+00 -3.193020083e+00 2.04 -3.609850123e+00 -3.363358496e+00 -3.215696845e+00 2.06 -3.623198336e+00 -3.378639634e+00 -3.231815382e+00 2.08 -3.632133665e+00 -3.388290044e+00 -3.241892089e+00 2.10 -3.636834470e+00 -3.392739750e+00 -3.246410168e+00 2.12 -3.637463570e+00 -3.392388788e+00 -3.245821659e+00 2.14 -3.634171473e+00 -3.387609149e+00 -3.240549352e+00 2.16 -3.627099829e+00 -3.378746671e+00 -3.230988569e+00 2.18 -3.616385035e+00 -3.366122885e+00 -3.217508833e+00 2.20 -3.602161869e+00 -3.350036827e+00 -3.200455427e+00 2.22 -3.584566997e+00 -3.330766790e+00 -3.180150852e+00 2.24 -3.563742164e+00 -3.308572039e+00 -3.156896181e+00 2.26 -3.539836844e+00 -3.283694448e+00 -3.130972333e+00 2.28 -3.513010150e+00 -3.256360075e+00 -3.102641258e+00 2.30 -3.483431849e+00 -3.226780641e+00 -3.072147051e+00 2.32 -3.451282389e+00 -3.195154907e+00 -3.039716986e+00 2.34 -3.416751919e+00 -3.161669927e+00 -3.005562503e+00 2.36 -3.380038403e+00 -3.126502163e+00 -2.969880120e+00 2.38 -3.341344992e+00 -3.089818456e+00 -2.932852305e+00 2.40 -3.300876893e+00 -3.051776837e+00 -2.894648295e+00 2.42 -3.258838000e+00 -3.012527177e+00 -2.855424874e+00 2.44 -3.215427577e+00 -2.972211683e+00 -2.815327112e+00 2.46 -3.170837224e+00 -2.930965255e+00 -2.774489064e+00 2.48 -3.125248329e+00 -2.888915714e+00 -2.733034443e+00 2.50 -3.078830142e+00 -2.846183923e+00 -2.691077258e+00 2.52 -3.031738519e+00 -2.802883842e+00 -2.648722425e+00 2.54 -2.984115342e+00 -2.759122532e+00 -2.606066348e+00 2.56 -2.936088536e+00 -2.715000144e+00 -2.563197478e+00 2.58 -2.887772591e+00 -2.670609922e+00 -2.520196842e+00 2.60 -2.839269455e+00 -2.626038234e+00 -2.477138553e+00 2.62 -2.790669669e+00 -2.581364661e+00 -2.434090290e+00 2.64 -2.742053617e+00 -2.536662143e+00 -2.391113758e+00 2.66 -2.693492778e+00 -2.491997188e+00 -2.348265121e+00 2.68 -2.645050923e+00 -2.447430143e+00 -2.305595413e+00 2.70 -2.596785168e+00 -2.403015519e+00 -2.263150925e+00 2.72 -2.548746897e+00 -2.358802350e+00 -2.220973570e+00 2.74 -2.500982514e+00 -2.314834582e+00 -2.179101221e+00 2.76 -2.453534062e+00 -2.271151467e+00 -2.137568031e+00 2.78 -2.406439709e+00 -2.227787960e+00 -2.096404727e+00 2.80 -2.359734137e+00 -2.184775089e+00 -2.055638885e+00 2.82 -2.313448849e+00 -2.142140314e+00 -2.015295184e+00 2.84 -2.267612429e+00 -2.099907849e+00 -1.975395634e+00 2.86 -2.222250748e+00 -2.058098956e+00 -1.935959798e+00 2.88 -2.177387151e+00 -2.016732210e+00 -1.897004982e+00 2.90 -2.133042623e+00 -1.975823733e+00 -1.858546414e+00 2.92 -2.089235937e+00 -1.935387406e+00 -1.820597413e+00 2.94 -2.045983795e+00 -1.895435056e+00 -1.783169529e+00 2.96 -2.003300959e+00 -1.855976628e+00 -1.746272688e+00 2.98 -1.961200376e+00 -1.817020338e+00 -1.709915307e+00 3.00 -1.919693289e+00 -1.778572815e+00 -1.674104413e+00 3.02 -1.878789351e+00 -1.740639233e+00 -1.638845741e+00 3.04 -1.838496730e+00 -1.703223428e+00 -1.604143831e+00 3.06 -1.798822205e+00 -1.666328016e+00 -1.570002114e+00 3.08 -1.759771257e+00 -1.629954492e+00 -1.536422990e+00 3.10 -1.721348162e+00 -1.594103332e+00 -1.503407905e+00 3.12 -1.683556071e+00 -1.558774083e+00 -1.470957416e+00 3.14 -1.646397086e+00 -1.523965452e+00 -1.439071257e+00 3.16 -1.609872340e+00 -1.489675386e+00 -1.407748400e+00 3.18 -1.573982061e+00 -1.455901153e+00 -1.376987113e+00 3.20 -1.538725643e+00 -1.422639415e+00 -1.346785008e+00 3.22 -1.504101701e+00 -1.389886306e+00 -1.317139101e+00 3.24 -1.470108140e+00 -1.357637495e+00 -1.288045852e+00 3.26 -1.436742199e+00 -1.325888264e+00 -1.259501216e+00 3.28 -1.404000513e+00 -1.294633571e+00 -1.231500687e+00 3.30 -1.371879155e+00 -1.263868119e+00 -1.204039338e+00 3.32 -1.340373687e+00 -1.233586423e+00 -1.177111863e+00 3.34 -1.309479199e+00 -1.203782880e+00 -1.150712612e+00 3.36 -1.279190354e+00 -1.174451834e+00 -1.124835632e+00 3.38 -1.249501424e+00 -1.145587645e+00 -1.099474695e+00 3.40 -1.220406328e+00 -1.117184757e+00 -1.074623335e+00 3.42 -1.191898664e+00 -1.089237768e+00 -1.050274876e+00 3.44 -1.163971742e+00 -1.061741495e+00 -1.026422459e+00 3.46 -1.136618613e+00 -1.034691047e+00 -1.003059072e+00 3.48 -1.109832099e+00 -1.008081892e+00 -9.801775716e-01 3.50 -1.083604818e+00 -9.819099208e-01 -9.577707074e-01 3.52 -1.057929209e+00 -9.561715172e-01 -9.358311423e-01 3.54 -1.032797553e+00 -9.308636180e-01 -9.143514721e-01 3.56 -1.008201998e+00 -9.059837747e-01 -8.933242436e-01 3.58 -9.841345781e-01 -8.815302094e-01 -8.727419707e-01 3.60 -9.605872299e-01 -8.575018656e-01 -8.525971495e-01 3.62 -9.354171618e-01 -8.320206342e-01 -8.309366170e-01 3.64 -8.817176397e-01 -7.815584321e-01 -7.832076226e-01 3.66 -7.302869514e-01 -6.459784174e-01 -6.465854718e-01 3.68 -3.950802946e-01 -3.500504198e-01 -3.460356708e-01 3.70 -5.098295543e-27 -4.628719286e-27 -4.222318682e-27 3.72 0.000000000e+00 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 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