# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-Ag--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 Ag Ag Ag Cu Ag Zr Cu Cu Cu Zr Zr Zr 0.02 2.972530260e+03 6.615799954e+03 7.202116793e+00 1.066119302e+03 3.695092309e+02 2.818972940e+02 0.04 2.802593724e+03 6.184114972e+03 2.459752324e+01 1.004671343e+03 3.579324074e+02 2.716522167e+02 0.06 2.642097360e+03 5.779919770e+03 3.998530716e+01 9.466267788e+02 3.464683228e+02 2.617570207e+02 0.08 2.490528365e+03 5.401499571e+03 5.353367702e+01 8.918022674e+02 3.351390356e+02 2.522002364e+02 0.10 2.347401266e+03 5.047244614e+03 6.539855621e+01 8.400241260e+02 3.239639580e+02 2.429707593e+02 0.12 2.212256491e+03 4.715643811e+03 7.572441366e+01 7.911278290e+02 3.129600709e+02 2.340578392e+02 0.14 2.084659003e+03 4.405278815e+03 8.464503854e+01 7.449575363e+02 3.021421236e+02 2.254510687e+02 0.16 1.964197022e+03 4.114818423e+03 9.228426655e+01 7.013656435e+02 2.915228193e+02 2.171403726e+02 0.18 1.850480794e+03 3.843013300e+03 9.875666017e+01 6.602123541e+02 2.811129883e+02 2.091159976e+02 0.20 1.743141438e+03 3.588691049e+03 1.041681429e+02 6.213652762e+02 2.709217477e+02 2.013685021e+02 0.22 1.641829847e+03 3.350751541e+03 1.086165942e+02 5.846990374e+02 2.609566504e+02 1.938887468e+02 0.24 1.546215645e+03 3.128162540e+03 1.121924060e+02 5.500949198e+02 2.512238234e+02 1.866678846e+02 0.26 1.455986201e+03 2.919955591e+03 1.149790009e+02 5.174405148e+02 2.417280958e+02 1.796973520e+02 0.28 1.370845694e+03 2.725222143e+03 1.170533188e+02 4.866293939e+02 2.324731172e+02 1.729688601e+02 0.30 1.290514218e+03 2.543109911e+03 1.184862709e+02 4.575607973e+02 2.234614677e+02 1.664743857e+02 0.32 1.214726954e+03 2.372819457e+03 1.193431630e+02 4.301393385e+02 2.146947600e+02 1.602061634e+02 0.34 1.143233357e+03 2.213600966e+03 1.196840928e+02 4.042747234e+02 2.061737331e+02 1.541566771e+02 0.36 1.075796411e+03 2.064751225e+03 1.195643189e+02 3.798814842e+02 1.978983396e+02 1.483186526e+02 0.38 1.012191909e+03 1.925610778e+03 1.190346066e+02 3.568787272e+02 1.898678256e+02 1.426850494e+02 0.40 9.522077691e+02 1.795561255e+03 1.181415510e+02 3.351898926e+02 1.820808058e+02 1.372490541e+02 0.42 8.956433983e+02 1.674022857e+03 1.169278772e+02 3.147425278e+02 1.745353307e+02 1.320040726e+02 0.44 8.423090761e+02 1.560451997e+03 1.154327213e+02 2.954680719e+02 1.672289509e+02 1.269437235e+02 0.46 7.920253779e+02 1.454339079e+03 1.136918931e+02 2.773016506e+02 1.601587741e+02 1.220618314e+02 0.48 7.446226276e+02 1.355206412e+03 1.117381194e+02 2.601818831e+02 1.533215191e+02 1.173524204e+02 0.50 6.999403770e+02 1.262606255e+03 1.096012725e+02 2.440506976e+02 1.467135648e+02 1.128097078e+02 0.52 6.578269137e+02 1.176118968e+03 1.073085823e+02 2.288531569e+02 1.403309949e+02 1.084280979e+02 0.54 6.181387954e+02 1.095351288e+03 1.048848343e+02 2.145372936e+02 1.341696397e+02 1.042021762e+02 0.56 5.807404065e+02 1.019934700e+03 1.023525535e+02 2.010539522e+02 1.282251132e+02 1.001267037e+02 0.58 5.455035407e+02 9.495239126e+02 9.973217654e+01 1.883566414e+02 1.224928484e+02 9.619661133e+01 0.60 5.123070036e+02 8.837954211e+02 9.704221119e+01 1.764013925e+02 1.169681283e+02 9.240699441e+01 0.62 4.810362362e+02 8.224461600e+02 9.429938521e+01 1.651466258e+02 1.116461150e+02 8.875310774e+01 0.64 4.515829601e+02 7.651922395e+02 9.151878451e+01 1.545530237e+02 1.065218757e+02 8.523036035e+01 0.66 4.238448394e+02 7.117677550e+02 8.871398204e+01 1.445834110e+02 1.015904067e+02 8.183431069e+01 0.68 3.977251608e+02 6.619236702e+02 8.589715737e+01 1.352026404e+02 9.684665460e+01 7.856066182e+01 0.70 3.731325320e+02 6.154267712e+02 8.307920775e+01 1.263774848e+02 9.228553630e+01 7.540525692e+01 0.72 3.499805940e+02 5.720586794e+02 8.026985157e+01 1.180765349e+02 8.790195624e+01 7.236407476e+01 0.74 3.281877501e+02 5.316149286e+02 7.747772425e+01 1.102701022e+02 8.369082242e+01 6.943322542e+01 0.76 3.076769090e+02 4.939040977e+02 7.471046714e+01 1.029301271e+02 7.964706063e+01 6.660894614e+01 0.78 2.883752407e+02 4.587469941e+02 7.197481035e+01 9.603009145e+01 7.576562715e+01 6.388759724e+01 0.80 2.702139463e+02 4.259758908e+02 6.927664925e+01 8.954493648e+01 7.204152016e+01 6.126565821e+01 0.82 2.531280397e+02 3.954338082e+02 6.662111551e+01 8.345098414e+01 6.846978978e+01 5.873972393e+01 0.84 2.370561406e+02 3.669738388e+02 6.401264300e+01 7.772586305e+01 6.504554699e+01 5.630650096e+01 0.86 2.219402790e+02 3.404585170e+02 6.145502865e+01 7.234843837e+01 6.176397150e+01 5.396280400e+01 0.88 2.077257099e+02 3.157592244e+02 5.895148898e+01 6.729874513e+01 5.862031854e+01 5.170555246e+01 0.90 1.943607375e+02 2.927556328e+02 5.650471225e+01 6.255792514e+01 5.560992483e+01 4.953176704e+01 0.92 1.817965499e+02 2.713351824e+02 5.411690671e+01 5.810816744e+01 5.272821366e+01 4.743856657e+01 0.94 1.699870608e+02 2.513925911e+02 5.178984528e+01 5.393265149e+01 4.997069922e+01 4.542316483e+01 0.96 1.588887616e+02 2.328293945e+02 4.952490669e+01 5.001549372e+01 4.733299025e+01 4.348286752e+01 0.98 1.484605804e+02 2.155535149e+02 4.732311352e+01 4.634169677e+01 4.481079304e+01 4.161506931e+01 1.00 1.386637483e+02 1.994788559e+02 4.518516728e+01 4.289710130e+01 4.239991383e+01 3.981725098e+01 1.02 1.294616736e+02 1.845249235e+02 4.311148069e+01 3.966834061e+01 4.009626070e+01 3.808697666e+01 1.04 1.208198224e+02 1.706164698e+02 4.110220751e+01 3.664279743e+01 3.789584499e+01 3.642189117e+01 1.06 1.127056056e+02 1.576831587e+02 3.915726987e+01 3.380856312e+01 3.579478226e+01 3.481971740e+01 1.08 1.050882720e+02 1.456592539e+02 3.727638349e+01 3.115439904e+01 3.378929286e+01 3.327825381e+01 1.10 9.793880715e+01 1.344833244e+02 3.545908082e+01 2.866969995e+01 3.187570216e+01 3.179537199e+01 1.12 9.122983772e+01 1.240979696e+02 3.370473229e+01 2.634445932e+01 3.005044043e+01 3.036901429e+01 1.14 8.493554106e+01 1.144495617e+02 3.201256573e+01 2.416923663e+01 2.831004247e+01 2.899719158e+01 1.16 7.903155942e+01 1.054880034e+02 3.038168429e+01 2.213512621e+01 2.665114694e+01 2.767798099e+01 1.18 7.349491905e+01 9.716650115e+01 2.881108268e+01 2.023372794e+01 2.507049553e+01 2.640952378e+01 1.20 6.830395365e+01 8.944135342e+01 2.729966215e+01 1.845711945e+01 2.356493180e+01 2.519002328e+01 1.22 6.343823176e+01 8.227175084e+01 2.584624409e+01 1.679782971e+01 2.213139998e+01 2.401774287e+01 1.24 5.887848834e+01 7.561959008e+01 2.444958242e+01 1.524881423e+01 2.076694353e+01 2.289100402e+01 1.26 5.460655999e+01 6.944929904e+01 2.310837491e+01 1.380343143e+01 1.946870356e+01 2.180818441e+01 1.28 5.060532353e+01 6.372767287e+01 2.182127344e+01 1.245542034e+01 1.823391715e+01 2.076771611e+01 1.30 4.685863822e+01 5.842372087e+01 2.058689331e+01 1.119887957e+01 1.705991559e+01 1.976808383e+01 1.32 4.335129086e+01 5.350852263e+01 1.940382167e+01 1.002824727e+01 1.594412241e+01 1.880782314e+01 1.34 4.006894394e+01 4.895509337e+01 1.827062517e+01 8.938282277e+00 1.488405151e+01 1.788551889e+01 1.36 3.699808683e+01 4.473825817e+01 1.718585678e+01 7.924046277e+00 1.387730500e+01 1.699980354e+01 1.38 3.412598930e+01 4.083453365e+01 1.614806203e+01 6.980886890e+00 1.292157121e+01 1.614935563e+01 1.40 3.144065783e+01 3.722201759e+01 1.515578451e+01 6.104421694e+00 1.201462240e+01 1.533289826e+01 1.42 2.893079422e+01 3.388028553e+01 1.420757085e+01 5.290523137e+00 1.115431262e+01 1.454919766e+01 1.44 2.658575647e+01 3.079029371e+01 1.330197515e+01 4.535304217e+00 1.033857538e+01 1.379706171e+01 1.46 2.439552182e+01 2.793428856e+01 1.243756288e+01 3.835104999e+00 9.565421329e+00 1.307533863e+01 1.48 2.235065182e+01 2.529572181e+01 1.161291434e+01 3.186479839e+00 8.832935876e+00 1.238291563e+01 1.50 2.044225924e+01 2.285917092e+01 1.082662777e+01 2.586185292e+00 8.139276750e+00 1.171871762e+01 1.52 1.866197698e+01 2.061026497e+01 1.007732196e+01 2.031168731e+00 7.482671528e+00 1.108170594e+01 1.54 1.700192850e+01 1.853561494e+01 9.363638564e+00 1.518557540e+00 6.861415104e+00 1.047087721e+01 1.56 1.545469995e+01 1.662274868e+01 8.684244156e+00 1.045648922e+00 6.273867120e+00 9.885262108e+00 1.58 1.401331393e+01 1.486005014e+01 8.037831875e+00 6.099002949e-01 5.718449383e+00 9.323924264e+00 1.60 1.267120451e+01 1.323670227e+01 7.423122883e+00 2.089201677e-01 5.193643227e+00 8.785959149e+00 1.62 1.142219379e+01 1.174263389e+01 6.838867555e+00 -1.595404362e-01 4.697986894e+00 8.270493013e+00 1.64 1.026046971e+01 1.036846987e+01 6.283846448e+00 -4.975960863e-01 4.230072908e+00 7.776681861e+00 1.66 9.180565066e+00 9.105484480e+00 5.756871066e+00 -8.072346229e-01 3.788545476e+00 7.303710445e+00 1.68 8.177337690e+00 7.945557964e+00 5.256784445e+00 -1.090324378e+00 3.372097946e+00 6.850791304e+00 1.70 7.245951788e+00 6.881135780e+00 4.782461576e+00 -1.348621011e+00 2.979470340e+00 6.417163820e+00 1.72 6.381860240e+00 5.905190525e+00 4.332809668e+00 -1.583773966e+00 2.609446984e+00 6.002093309e+00 1.74 5.580787958e+00 5.011186436e+00 3.906768287e+00 -1.797332554e+00 2.260854287e+00 5.604870146e+00 1.76 4.838716123e+00 4.193046116e+00 3.503309371e+00 -1.990751715e+00 1.932558669e+00 5.224808902e+00 1.78 4.151867319e+00 3.445119462e+00 3.121437127e+00 -2.165397461e+00 1.623464684e+00 4.861247521e+00 1.80 3.516691533e+00 2.762154704e+00 2.760187854e+00 -2.322551998e+00 1.332513376e+00 4.513546518e+00 1.82 2.929852885e+00 2.139271237e+00 2.418629652e+00 -2.463418601e+00 1.058680864e+00 4.181088194e+00 1.84 2.388217152e+00 1.571934320e+00 2.095862078e+00 -2.589126199e+00 8.009771991e-01 3.863275888e+00 1.86 1.888839991e+00 1.055931441e+00 1.791015726e+00 -2.700733716e+00 5.584455213e-01 3.559533242e+00 1.88 1.428955803e+00 5.873501923e-01 1.503251744e+00 -2.799234188e+00 3.301615001e-01 3.269303486e+00 1.90 1.005967264e+00 1.625576708e-01 1.231761313e+00 -2.885558643e+00 1.152331067e-01 2.992048757e+00 1.92 6.174354339e-01 -2.218187770e-01 9.757650765e-01 -2.960579784e+00 -8.719929737e-02 2.727249423e+00 1.94 2.610704306e-01 -5.689095525e-01 7.345125264e-01 -3.025115464e+00 -2.779625468e-01 2.474403436e+00 1.96 -6.527734379e-02 -8.816195457e-01 5.072813754e-01 -3.079931975e+00 -4.578499234e-01 2.233025705e+00 1.98 -3.636254908e-01 -1.162643805e+00 2.933768912e-01 -3.125747156e+00 -6.276200945e-01 2.002647480e+00 2.00 -6.358674195e-01 -1.414482140e+00 9.213121674e-02 -3.163233334e+00 -7.879957397e-01 1.782815757e+00 2.02 -8.837796818e-01 -1.639452714e+00 -9.709732050e-02 -3.193020083e+00 -9.396618847e-01 1.573092708e+00 2.04 -1.109028908e+00 -1.839704758e+00 -2.749249145e-01 -3.215696845e+00 -1.083263983e+00 1.373055115e+00 2.06 -1.313178317e+00 -2.017230396e+00 -4.419429871e-01 -3.231815382e+00 -1.219405778e+00 1.182293827e+00 2.08 -1.497693850e+00 -2.173875661e+00 -5.987188952e-01 -3.241892089e+00 -1.348647000e+00 1.000413235e+00 2.10 -1.663949954e+00 -2.311350782e+00 -7.457966384e-01 -3.246410168e+00 -1.471500997e+00 8.270307533e-01 2.12 -1.813235010e+00 -2.431239734e+00 -8.836975553e-01 -3.245821660e+00 -1.588432366e+00 6.617763262e-01 2.14 -1.946756452e+00 -2.535009148e+00 -1.012921011e+00 -3.240549352e+00 -1.699854733e+00 5.042919422e-01 2.16 -2.065645582e+00 -2.624016610e+00 -1.133945074e+00 -3.230988569e+00 -1.806128828e+00 3.542311635e-01 2.18 -2.170962093e+00 -2.699518364e+00 -1.247227166e+00 -3.217508833e+00 -1.907561006e+00 2.112586722e-01 2.20 -2.263698331e+00 -2.762676493e+00 -1.353204705e+00 -3.200455427e+00 -2.004402439e+00 7.504982718e-02 2.22 -2.344783310e+00 -2.814565607e+00 -1.452295712e+00 -3.180150852e+00 -2.096849158e+00 -5.470976413e-02 2.24 -2.415086468e+00 -2.856179038e+00 -1.544899394e+00 -3.156896181e+00 -2.185043151e+00 -1.783246587e-01 2.26 -2.475421227e+00 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