# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Clement-A-Auger-T--Cu-Zn # implementation = 2022--Clement-A--Cu-Zn--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 2023-04-18 r Cu Cu Cu Zn Zn Zn 0.02 4.627767253e+03 4.186848828e+03 7.488750107e+01 0.04 4.281764260e+03 3.875420026e+03 7.158573784e+01 0.06 3.961554707e+03 3.587133482e+03 6.842656148e+01 0.08 3.665213056e+03 3.320266473e+03 6.540369669e+01 0.10 3.390958075e+03 3.073224955e+03 6.251117002e+01 0.12 3.137142014e+03 2.844533947e+03 5.974329217e+01 0.14 2.902240567e+03 2.632828610e+03 5.709464147e+01 0.16 2.684843578e+03 2.436845985e+03 5.456004869e+01 0.18 2.483646436e+03 2.255417351e+03 5.213458281e+01 0.20 2.297442113e+03 2.087461145e+03 4.981353797e+01 0.22 2.125113814e+03 1.931976428e+03 4.759242131e+01 0.24 1.965628172e+03 1.788036831e+03 4.546698952e+01 0.26 1.818028976e+03 1.654784968e+03 4.342476697e+01 0.28 1.681431362e+03 1.531427268e+03 4.146740128e+01 0.30 1.555016457e+03 1.417229201e+03 3.959640979e+01 0.32 1.438026423e+03 1.311510858e+03 3.780804945e+01 0.34 1.329759887e+03 1.213642873e+03 3.609873572e+01 0.36 1.229567707e+03 1.123042649e+03 3.446503899e+01 0.38 1.136849068e+03 1.039170870e+03 3.290367790e+01 0.40 1.051047869e+03 9.615282731e+02 3.141151300e+01 0.42 9.716493850e+02 8.896526634e+02 2.998554056e+01 0.44 8.981771753e+02 8.231161575e+02 2.862288668e+01 0.46 8.301902334e+02 7.615226285e+02 2.732080167e+01 0.48 7.672803437e+02 7.045053442e+02 2.607665459e+01 0.50 7.090696399e+02 6.517247823e+02 2.488792813e+01 0.52 6.552083457e+02 6.028666084e+02 2.375221364e+01 0.54 6.053726840e+02 5.576398048e+02 2.266718353e+01 0.56 5.592629438e+02 5.157749393e+02 2.163057786e+01 0.58 5.166018314e+02 4.770232814e+02 2.064023539e+01 0.60 4.771328577e+02 4.411553428e+02 1.969409303e+01 0.62 4.406183476e+02 4.079572236e+02 1.879018119e+01 0.64 4.068382815e+02 3.772308339e+02 1.792661944e+01 0.66 3.755889923e+02 3.487927686e+02 1.710161232e+01 0.68 3.466819510e+02 3.224732193e+02 1.631344538e+01 0.70 3.199426420e+02 2.981149652e+02 1.556048140e+01 0.72 2.952095223e+02 2.755724409e+02 1.484115684e+01 0.74 2.723330580e+02 2.547108715e+02 1.415397840e+01 0.76 2.511748327e+02 2.354054735e+02 1.349751979e+01 0.78 2.316067215e+02 2.175407137e+02 1.287041863e+01 0.80 2.135101271e+02 2.010096241e+02 1.227137353e+01 0.82 1.967752720e+02 1.857131665e+02 1.169914127e+01 0.84 1.813005436e+02 1.715596454e+02 1.115253416e+01 0.86 1.669918877e+02 1.584641636e+02 1.063041750e+01 0.88 1.537622476e+02 1.463481182e+02 1.013170713e+01 0.90 1.415310439e+02 1.351387344e+02 9.655367191e+00 0.92 1.302236933e+02 1.247686337e+02 9.200407871e+00 0.94 1.197711640e+02 1.151754337e+02 8.765883357e+00 0.96 1.101095623e+02 1.063013782e+02 8.350889827e+00 0.98 1.011797516e+02 9.809299379e+01 7.954563555e+00 1.00 9.292699879e+01 9.050077330e+01 7.576079101e+00 1.02 8.530064677e+01 8.347888121e+01 7.214647586e+00 1.04 7.825381193e+01 7.698488186e+01 6.869515051e+00 1.06 7.174310355e+01 7.097948739e+01 6.539960881e+00 1.08 6.572836420e+01 6.542632448e+01 6.225296314e+00 1.10 6.017242938e+01 6.029171838e+01 5.924863013e+00 1.12 5.504090510e+01 5.554449287e+01 5.638031703e+00 1.14 5.030196180e+01 5.115578512e+01 5.364200873e+00 1.16 4.592614371e+01 4.709887420e+01 5.102795535e+00 1.18 4.188619233e+01 4.334902233e+01 4.853266045e+00 1.20 3.815688295e+01 3.988332793e+01 4.615086967e+00 1.22 3.471487339e+01 3.668058947e+01 4.387756005e+00 1.24 3.153856396e+01 3.372117946e+01 4.170792967e+00 1.26 2.860496796e+01 3.098692781e+01 3.963738787e+00 1.28 2.589862277e+01 2.846101373e+01 3.766154586e+00 1.30 2.340390053e+01 2.612786578e+01 3.577620779e+00 1.32 2.110464995e+01 2.397306917e+01 3.397736220e+00 1.34 1.898593788e+01 2.198328007e+01 3.226117388e+00 1.36 1.703395798e+01 2.014614616e+01 3.062397604e+00 1.38 1.523594613e+01 1.845023316e+01 2.906226291e+00 1.40 1.358011101e+01 1.688495670e+01 2.757268261e+00 1.42 1.205612426e+01 1.544051935e+01 2.615203039e+00 1.44 1.065525558e+01 1.410785224e+01 2.479724213e+00 1.46 9.369290888e+00 1.287856101e+01 2.350538814e+00 1.48 8.190428507e+00 1.174487580e+01 2.227366727e+00 1.50 7.111275582e+00 1.069960496e+01 2.109940126e+00 1.52 6.124841374e+00 9.736092091e+00 1.998002930e+00 1.54 5.224528131e+00 8.848176396e+00 1.891310293e+00 1.56 4.404120052e+00 8.030155884e+00 1.789628106e+00 1.58 3.657770798e+00 7.276753338e+00 1.692732528e+00 1.60 2.979989925e+00 6.583084790e+00 1.600409540e+00 1.62 2.365628561e+00 5.944630342e+00 1.512454506e+00 1.64 1.809864605e+00 5.357207142e+00 1.428671770e+00 1.66 1.308187654e+00 4.816944369e+00 1.348874260e+00 1.68 8.563838574e-01 4.320260069e+00 1.272883112e+00 1.70 4.505208481e-01 3.863839708e+00 1.200527310e+00 1.72 8.693286233e-02 3.444616315e+00 1.131643348e+00 1.74 -2.377938404e-01 3.059752099e+00 1.066074897e+00 1.76 -5.268351867e-01 2.706621427e+00 1.003672492e+00 1.78 -7.831430655e-01 2.382795060e+00 9.442932355e-01 1.80 -1.009458627e+00 2.086054774e+00 8.878005066e-01 1.82 -1.208325072e+00 1.804850837e+00 8.340636907e-01 1.84 -1.382099907e+00 1.549119214e+00 7.829579156e-01 1.86 -1.532966656e+00 1.318325801e+00 7.343638016e-01 1.88 -1.662946022e+00 1.110351794e+00 6.881672218e-01 1.90 -1.773906494e+00 9.232508942e-01 6.442590735e-01 1.92 -1.867574411e+00 7.552353703e-01 6.025350587e-01 1.94 -1.945543488e+00 6.046632590e-01 5.628954750e-01 1.96 -2.009283821e+00 4.700229164e-01 5.252450156e-01 1.98 -2.060150374e+00 3.498425123e-01 4.894925771e-01 2.00 -2.099390982e+00 2.427054524e-01 4.555510772e-01 2.02 -2.128153873e+00 1.473315656e-01 4.233372788e-01 2.04 -2.147494734e+00 6.256702599e-02 3.927716232e-01 2.06 -2.158383345e+00 -1.262852742e-02 3.637780691e-01 2.08 -2.161709788e+00 -7.919351089e-02 3.362839400e-01 2.10 -2.158290268e+00 -1.379747036e-01 3.102197775e-01 2.12 -2.148872550e+00 -1.897364751e-01 2.855192008e-01 2.14 -2.134141041e+00 -2.351690478e-01 2.621187731e-01 2.16 -2.114721536e+00 -2.748959016e-01 2.399578728e-01 2.18 -2.091185640e+00 -3.094804086e-01 2.189785714e-01 2.20 -2.064054897e+00 -3.394317852e-01 1.991255155e-01 2.22 -2.033804623e+00 -3.652104299e-01 1.803458151e-01 2.24 -2.000867483e+00 -3.872327168e-01 1.625889361e-01 2.26 -1.965636816e+00 -4.058752983e-01 1.458065970e-01 2.28 -1.928469717e+00 -4.214789720e-01 1.299526716e-01 2.30 -1.889689910e+00 -4.343521564e-01 1.149830942e-01 2.32 -1.849590406e+00 -4.447740166e-01 1.008557698e-01 2.34 -1.808435972e+00 -4.529972771e-01 8.753048855e-02 2.36 -1.766465421e+00 -4.592507536e-01 7.496884268e-02 2.38 -1.723893728e+00 -4.637416334e-01 6.313414829e-02 2.40 -1.680913996e+00 -4.666575308e-01 5.199136980e-02 2.42 -1.637699271e+00 -4.681683397e-01 4.150704785e-02 2.44 -1.594404225e+00 -4.684279049e-01 3.164923033e-02 2.46 -1.551166703e+00 -4.675755307e-01 2.238740637e-02 2.48 -1.508109162e+00 -4.657373427e-01 1.369244318e-02 2.50 -1.465339996e+00 -4.630275183e-01 5.536525621e-03 2.52 -1.422954756e+00 -4.595493990e-01 -2.106901692e-03 2.54 -1.381037283e+00 -4.553964956e-01 -9.263189703e-03 2.56 -1.339660742e+00 -4.506533990e-01 -1.595653793e-02 2.58 -1.298888585e+00 -4.453966028e-01 -2.221004517e-02 2.60 -1.258775429e+00 -4.396952501e-01 -2.804575808e-02 2.62 -1.219367873e+00 -4.336118086e-01 -3.348471768e-02 2.64 -1.180705243e+00 -4.272026839e-01 -3.854700384e-02 2.66 -1.142820280e+00 -4.205187743e-01 -4.325177794e-02 2.68 -1.105739768e+00 -4.136059757e-01 -4.761732376e-02 2.70 -1.069485120e+00 -4.065056383e-01 -5.166108657e-02 2.72 -1.034072903e+00 -3.992549827e-01 -5.539971069e-02 2.74 -9.995153325e-01 -3.918874772e-01 -5.884907543e-02 2.76 -9.658207151e-01 -3.844331809e-01 -6.202432963e-02 2.78 -9.329938608e-01 -3.769190555e-01 -6.493992475e-02 2.80 -9.010364572e-01 -3.693692491e-01 -6.760964663e-02 2.82 -8.699474123e-01 -3.618053547e-01 -7.004664606e-02 2.84 -8.397231685e-01 -3.542466447e-01 -7.226346812e-02 2.86 -8.103579887e-01 -3.467102854e-01 -7.427208037e-02 2.88 -7.818442170e-01 -3.392115317e-01 -7.608390002e-02 2.90 -7.541725175e-01 -3.317639051e-01 -7.770982016e-02 2.92 -7.273320902e-01 -3.243793554e-01 -7.916023493e-02 2.94 -7.013108688e-01 -3.170684084e-01 -8.044506393e-02 2.96 -6.760956995e-01 -3.098403010e-01 -8.157377576e-02 2.98 -6.516725035e-01 -3.027031034e-01 -8.255541085e-02 3.00 -6.280264242e-01 -2.956638321e-01 -8.339860350e-02 3.02 -6.051419602e-01 -2.887285514e-01 -8.411160336e-02 3.04 -5.830030858e-01 -2.819024672e-01 -8.470229630e-02 3.06 -5.615933586e-01 -2.751900121e-01 -8.517822465e-02 3.08 -5.408960173e-01 -2.685949228e-01 -8.554660702e-02 3.10 -5.208940683e-01 -2.621203106e-01 -8.581435761e-02 3.12 -5.015703634e-01 -2.557687260e-01 -8.598810510e-02 3.14 -4.829076682e-01 -2.495422167e-01 -8.607421110e-02 3.16 -4.648887232e-01 -2.434423802e-01 -8.607878826e-02 3.18 -4.474962961e-01 -2.374704109e-01 -8.600771793e-02 3.20 -4.307132275e-01 -2.316271429e-01 -8.586666748e-02 3.22 -4.145224698e-01 -2.259130866e-01 -8.566110713e-02 3.24 -3.989071190e-01 -2.203284619e-01 -8.539632630e-02 3.26 -3.838504404e-01 -2.148732257e-01 -8.507744939e-02 3.28 -3.693358881e-01 -2.095470954e-01 -8.470945085e-02 3.30 -3.553471188e-01 -2.043495670e-01 -8.429716926e-02 3.32 -3.418679998e-01 -1.992799294e-01 -8.384532032e-02 3.34 -3.288826115e-01 -1.943372740e-01 -8.335850835e-02 3.36 -3.163752458e-01 -1.895204995e-01 -8.284123582e-02 3.38 -3.043303999e-01 -1.848283138e-01 -8.229791046e-02 3.40 -2.927327681e-01 -1.802592317e-01 -8.173284933e-02 3.42 -2.815672315e-01 -1.758115716e-01 -8.115027887e-02 3.44 -2.708188492e-01 -1.714834506e-01 -8.055433029e-02 3.46 -2.604728526e-01 -1.672727811e-01 -7.994902889e-02 3.48 -2.505146460e-01 -1.631772704e-01 -7.933827645e-02 3.50 -2.409298165e-01 -1.591944254e-01 -7.872582508e-02 3.52 -2.317041552e-01 -1.553215644e-01 -7.811524158e-02 3.54 -2.228236931e-01 -1.515558375e-01 -7.750986088e-02 3.56 -2.142747510e-01 -1.478942554e-01 -7.691272780e-02 3.58 -2.060440022e-01 -1.443337246e-01 -7.632652684e-02 3.60 -1.981185447e-01 -1.408710869e-01 -7.575350040e-02 3.62 -1.904859766e-01 -1.375031583e-01 -7.519535716e-02 3.64 -1.831344669e-01 -1.342267608e-01 -7.465317381e-02 3.66 -1.760528142e-01 -1.310387428e-01 -7.412729536e-02 3.68 -1.692304851e-01 -1.279359839e-01 -7.361724113e-02 3.70 -1.626576275e-01 -1.249153828e-01 -7.312162579e-02 3.72 -1.563250569e-01 -1.219738317e-01 -7.263810661e-02 3.74 -1.502242170e-01 -1.191081821e-01 -7.216336853e-02 3.76 -1.443471187e-01 -1.163152114e-01 -7.169315863e-02 3.78 -1.386862666e-01 -1.135916003e-01 -7.122237903e-02 3.80 -1.332345774e-01 -1.109339287e-01 -7.074524267e-02 3.82 -1.279853014e-01 -1.083386978e-01 -7.025549060e-02 3.84 -1.229319493e-01 -1.058023779e-01 -6.974666139e-02 3.86 -1.180682310e-01 -1.033214804e-01 -6.921239596e-02 3.88 -1.133880068e-01 -1.008926463e-01 -6.864675434e-02 3.90 -1.088852518e-01 -9.851273944e-02 -6.804451752e-02 3.92 -1.045540317e-01 -9.617893477e-02 -6.740144726e-02 3.94 -1.003884888e-01 -9.388878849e-02 -6.671448106e-02 3.96 -9.638283582e-02 -9.164028283e-02 -6.598184661e-02 3.98 -9.253135262e-02 -8.943184797e-02 -6.520309006e-02 4.00 -8.882838917e-02 -8.726234624e-02 -6.437902172e-02 4.02 -8.526836878e-02 -8.513103269e-02 -6.351159178e-02 4.04 -8.184579173e-02 -8.303749591e-02 -6.260371383e-02 4.06 -7.855523823e-02 -8.098158605e-02 -6.165905715e-02 4.08 -7.539137015e-02 -7.896333729e-02 -6.068182767e-02 4.10 -7.234893121e-02 -7.698289148e-02 -5.967655371e-02 4.12 -6.942274546e-02 -7.504042761e-02 -5.864789434e-02 4.14 -6.660771408e-02 -7.313610078e-02 -5.760047414e-02 4.16 -6.389881058e-02 -7.126999229e-02 -5.653874791e-02 4.18 -6.129107468e-02 -6.944207111e-02 -5.546689899e-02 4.20 -5.877960506e-02 -6.765216586e-02 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