# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te-Zn # implementation = 2012--Ward-D-K--Cd-Te-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 2022-05-24 r Cd Cd Cd Te Cd Zn Te Te Te Zn Zn Zn 0.02 3.715578499e+05 6.224473641e+04 1.157053041e+05 4.978637074e+04 1.015550211e+04 7.653668032e+03 0.04 3.715578499e+05 6.224473641e+04 1.157053041e+05 4.978637074e+04 1.015550211e+04 7.653668032e+03 0.06 3.715578499e+05 6.224473641e+04 1.157053041e+05 4.978637074e+04 1.015550211e+04 7.653668032e+03 0.08 3.715578499e+05 6.224473641e+04 1.157053041e+05 4.978637074e+04 1.015550211e+04 7.653668032e+03 0.10 3.697715306e+05 6.182886516e+04 1.150381995e+05 4.972423039e+04 1.009660443e+04 7.608855190e+03 0.12 2.047571953e+05 3.873685282e+04 6.369393734e+04 3.167609167e+04 6.850417429e+03 4.925969811e+03 0.14 1.236828609e+05 2.592594387e+04 3.843482128e+04 2.159468134e+04 4.905970206e+03 3.390615407e+03 0.16 7.989773937e+04 1.829991231e+04 2.480392335e+04 1.548447323e+04 3.670628190e+03 2.451262380e+03 0.18 5.432625615e+04 1.345225020e+04 1.684898834e+04 1.153936345e+04 2.839601854e+03 1.839789793e+03 0.20 3.846100010e+04 1.021022649e+04 1.191697636e+04 8.864480246e+03 2.255269965e+03 1.422198460e+03 0.22 2.813218301e+04 7.952516610e+03 8.708243689e+03 6.978764345e+03 1.829648961e+03 1.125905725e+03 0.24 2.113850941e+04 6.327526173e+03 6.537038380e+03 5.606446028e+03 1.510577635e+03 9.090211339e+02 0.26 1.624599988e+04 5.125404445e+03 5.019134759e+03 4.580998937e+03 1.265586385e+03 7.460941356e+02 0.28 1.272777498e+04 4.215261019e+03 3.928307506e+03 3.797446800e+03 1.073631427e+03 6.209917544e+02 0.30 1.013745447e+04 3.512375184e+03 3.125692449e+03 3.187177521e+03 9.206034440e+02 5.231157133e+02 0.32 8.191006547e+03 2.960150430e+03 2.522968362e+03 2.703942024e+03 7.967646293e+02 4.452883915e+02 0.34 6.702078893e+03 2.519733062e+03 2.062212329e+03 2.315724257e+03 6.952241381e+02 3.825192989e+02 0.36 5.545096291e+03 2.163807927e+03 1.704408538e+03 1.999840369e+03 6.109982376e+02 3.312581419e+02 0.38 4.633426550e+03 1.872765581e+03 1.422651543e+03 1.739886653e+03 5.404126374e+02 2.889277056e+02 0.40 3.906045102e+03 1.632264774e+03 1.197996389e+03 1.523783888e+03 4.807119281e+02 2.536233620e+02 0.42 3.319158291e+03 1.431641734e+03 1.016852808e+03 1.342492156e+03 4.297981112e+02 2.239148578e+02 0.44 2.840808315e+03 1.262848199e+03 8.693073593e+02 1.189146937e+03 3.860517698e+02 1.987126270e+02 0.46 2.447319584e+03 1.119727582e+03 7.480185949e+02 1.058466695e+03 3.482073634e+02 1.771757908e+02 0.48 2.120910164e+03 9.975124503e+02 6.474747435e+02 9.463390132e+02 3.152647436e+02 1.586477066e+02 0.50 1.848056688e+03 8.924696915e+02 5.634856253e+02 8.495267900e+02 2.864253754e+02 1.426100599e+02 0.52 1.618355984e+03 8.016461343e+02 4.928290863e+02 7.654563761e+02 2.610456918e+02 1.286496735e+02 0.54 1.423720579e+03 7.226835572e+02 4.330011556e+02 6.920627782e+02 2.386025320e+02 1.164341886e+02 0.56 1.257801887e+03 6.536824671e+02 3.820369897e+02 6.276750576e+02 2.186672273e+02 1.056940166e+02 0.58 1.115571396e+03 5.931005608e+02 3.383808936e+02 5.709305226e+02 2.008859356e+02 9.620878721e+01 0.60 9.930128675e+02 5.396762139e+02 3.007908146e+02 5.207097652e+02 1.849645876e+02 8.779706485e+01 0.62 8.868935926e+02 4.923702403e+02 2.682673952e+02 4.760869992e+02 1.706572275e+02 8.030847580e+01 0.64 7.945926465e+02 4.503211311e+02 2.400007178e+02 4.362917296e+02 1.577569226e+02 7.361760620e+01 0.66 7.139707103e+02 4.128103579e+02 2.153299414e+02 4.006789164e+02 1.460886055e+02 6.761925258e+01 0.68 6.432704655e+02 3.792352393e+02 1.937124391e+02 3.687055563e+02 1.355033919e+02 6.222468125e+01 0.70 5.810397818e+02 3.490875776e+02 1.746999925e+02 3.399121673e+02 1.258740516e+02 5.735866596e+01 0.72 5.260719810e+02 3.219366985e+02 1.579202941e+02 3.139080432e+02 1.170913581e+02 5.295712397e+01 0.74 4.773590455e+02 2.974159029e+02 1.430624520e+02 2.903594222e+02 1.090611325e+02 4.896521642e+01 0.76 4.340547165e+02 2.752115733e+02 1.298655676e+02 2.689799568e+02 1.017018418e+02 4.533581390e+01 0.78 3.954451786e+02 2.550543592e+02 1.181096634e+02 2.495229585e+02 9.494262467e+01 4.202824767e+01 0.80 3.609256440e+02 2.367120056e+02 1.076084358e+02 2.317750842e+02 8.872167225e+01 3.900728940e+01 0.82 3.299815326e+02 2.199834899e+02 9.820343301e+01 2.155511433e+02 8.298488343e+01 3.624231151e+01 0.84 3.021732508e+02 2.046941922e+02 8.975935125e+01 2.006898189e+02 7.768474649e+01 3.370659443e+01 0.86 2.771238318e+02 1.906919117e+02 8.216020840e+01 1.870501259e+02 7.277940640e+01 3.137675107e+01 0.88 2.545088332e+02 1.778435560e+02 7.530622629e+01 1.745084502e+02 6.823188215e+01 2.923224688e+01 0.90 2.340480539e+02 1.660323809e+02 6.911126697e+01 1.629560871e+02 6.400940417e+01 2.725499784e+01 0.92 2.154986956e+02 1.551556815e+02 6.350072291e+01 1.522971609e+02 6.008285726e+01 2.542903271e+01 0.94 1.986497079e+02 1.451228450e+02 5.840976902e+01 1.424468809e+02 5.642630494e+01 2.374020746e+01 0.96 1.833170786e+02 1.358537113e+02 5.378190989e+01 1.333300618e+02 5.301658553e+01 2.217596395e+01 0.98 1.693399088e+02 1.272771863e+02 4.956776677e+01 1.248798649e+02 4.983296543e+01 2.072512356e+01 1.00 1.565771178e+02 1.193300558e+02 4.572406164e+01 1.170367294e+02 4.685684259e+01 1.937771230e+01 1.02 1.449046719e+02 1.119559834e+02 4.221276231e+01 1.097474556e+02 4.407149048e+01 1.812481015e+01 1.04 1.342132468e+02 1.051046426e+02 3.900036129e+01 1.029644201e+02 4.146183730e+01 1.695842228e+01 1.06 1.244062478e+02 9.873097831e+01 3.605726540e+01 9.664489831e+01 3.901427468e+01 1.587136787e+01 1.08 1.153981259e+02 9.279457200e+01 3.335727639e+01 9.075048485e+01 3.671649131e+01 1.485718361e+01 1.10 1.071129391e+02 8.725908746e+01 3.087714904e+01 8.524658540e+01 3.455732870e+01 1.391004097e+01 1.12 9.948313287e+01 8.209179520e+01 2.859621318e+01 8.010197755e+01 3.252665454e+01 1.302467350e+01 1.14 9.244848147e+01 7.726315960e+01 2.649604954e+01 7.528843529e+01 3.061525195e+01 1.219631433e+01 1.16 8.595518584e+01 7.274647907e+01 2.456021158e+01 7.078039202e+01 2.881472290e+01 1.142064065e+01 1.18 7.995509264e+01 6.851756944e+01 2.277398488e+01 6.655464951e+01 2.711740216e+01 1.069372559e+01 1.20 7.440502233e+01 6.455449131e+01 2.112418036e+01 6.259012753e+01 2.551628283e+01 1.001199647e+01 1.22 6.926618199e+01 6.083730782e+01 1.959895394e+01 5.886763604e+01 2.400494924e+01 9.372197097e+00 1.24 6.450365890e+01 5.734787341e+01 1.818765073e+01 5.536967985e+01 2.257751839e+01 8.771355524e+00 1.26 6.008597881e+01 5.406964715e+01 1.688066937e+01 5.208028504e+01 2.122858788e+01 8.206754615e+00 1.28 5.598471974e+01 5.098752843e+01 1.566934297e+01 4.898484474e+01 1.995318917e+01 7.675907010e+00 1.30 5.217417490e+01 4.808771138e+01 1.454583620e+01 4.606998384e+01 1.874674650e+01 7.176532133e+00 1.32 4.863105695e+01 4.535755590e+01 1.350305381e+01 4.332343786e+01 1.760504021e+01 6.706536028e+00 1.34 4.533423821e+01 4.278547394e+01 1.253456141e+01 4.073394577e+01 1.652417336e+01 6.263993699e+00 1.36 4.226452263e+01 4.036082689e+01 1.163451515e+01 3.829115443e+01 1.550054279e+01 5.847132752e+00 1.38 3.940444369e+01 3.807383576e+01 1.079759991e+01 3.598553324e+01 1.453081227e+01 5.454319710e+00 1.40 3.673808723e+01 3.591550033e+01 1.001897475e+01 3.380829832e+01 1.361188880e+01 5.084046575e+00 1.42 3.425093306e+01 3.387752654e+01 9.294224850e+00 3.175134368e+01 1.274090177e+01 4.734919835e+00 1.44 3.192971644e+01 3.195226231e+01 8.619318187e+00 2.980718066e+01 1.191518312e+01 4.405650176e+00 1.46 2.976230305e+01 3.013263939e+01 7.990568375e+00 2.796888264e+01 1.113225023e+01 4.095043106e+00 1.48 2.773757978e+01 2.841212148e+01 7.404600066e+00 2.623003609e+01 1.038979043e+01 3.801990746e+00 1.50 2.584535585e+01 2.678465713e+01 6.858319514e+00 2.458469564e+01 9.685646618e+00 3.525464403e+00 1.52 2.407627546e+01 2.524463803e+01 6.348887507e+00 2.302734413e+01 9.017804514e+00 3.264507755e+00 1.54 2.242173930e+01 2.378686075e+01 5.873695264e+00 2.155285662e+01 8.384380969e+00 3.018230747e+00 1.56 2.087383493e+01 2.240649253e+01 5.430343416e+00 2.015646734e+01 7.783613525e+00 2.785804177e+00 1.58 1.942527326e+01 2.109904042e+01 5.016622423e+00 1.883374042e+01 7.213850811e+00 2.566454584e+00 1.60 1.806933310e+01 1.986032287e+01 4.630495566e+00 1.758054238e+01 6.673543704e+00 2.359459783e+00 1.62 1.679980964e+01 1.868644461e+01 4.270083382e+00 1.639301857e+01 6.161237223e+00 2.164144760e+00 1.64 1.561096954e+01 1.757377337e+01 3.933649822e+00 1.526757028e+01 5.675563845e+00 1.979877850e+00 1.66 1.449750955e+01 1.651891907e+01 3.619589654e+00 1.420083487e+01 5.215236367e+00 1.806067439e+00 1.68 1.345451937e+01 1.551871437e+01 3.326417202e+00 1.318966751e+01 4.779041858e+00 1.642158807e+00 1.70 1.247744879e+01 1.457019773e+01 3.052756101e+00 1.223112416e+01 4.365836564e+00 1.487631312e+00 1.72 1.156207642e+01 1.367059748e+01 2.797330154e+00 1.132244651e+01 3.974540504e+00 1.341995781e+00 1.74 1.070448345e+01 1.281731685e+01 2.558954890e+00 1.046104772e+01 3.604132719e+00 1.204792184e+00 1.76 9.901027914e+00 1.200792180e+01 2.336530042e+00 9.644500147e+00 3.253647663e+00 1.075587497e+00 1.78 9.148322625e+00 1.124012768e+01 2.129032686e+00 8.870523077e+00 2.922170397e+00 9.539736904e-01 1.80 8.443214565e+00 1.051178921e+01 1.935511047e+00 8.136972357e+00 2.608833809e+00 8.395659071e-01 1.82 7.782766374e+00 9.820889988e+00 1.755078752e+00 7.441830502e+00 2.312815031e+00 7.320008647e-01 1.84 7.164239170e+00 9.165532864e+00 1.586909745e+00 6.783197430e+00 2.033332183e+00 6.309353193e-01 1.86 6.585077564e+00 8.543931979e+00 1.430233583e+00 6.159282599e+00 1.769642150e+00 5.360446112e-01 1.88 6.042895001e+00 7.954404700e+00 1.284331148e+00 5.568397046e+00 1.521037539e+00 4.470214477e-01 1.90 5.535461387e+00 7.395364294e+00 1.148530742e+00 5.008946434e+00 1.286844579e+00 3.635747105e-01 1.92 5.060691171e+00 6.865313535e+00 1.022204515e+00 4.479424627e+00 1.066420896e+00 2.854283648e-01 1.94 4.616632455e+00 6.362838332e+00 9.047652346e-01 3.978407783e+00 8.591535415e-01 2.123204631e-01 1.96 4.201457431e+00 5.886602564e+00 7.956632506e-01 3.504548687e+00 6.644571651e-01 1.440022485e-01 1.98 3.813453130e+00 5.435342324e+00 6.943838062e-01 3.056571917e+00 4.817723412e-01 8.023725663e-02 2.00 3.451013281e+00 5.007861659e+00 6.004445136e-01 2.633268732e+00 3.105639509e-01 2.080061793e-02 2.02 3.112630726e+00 4.603027671e+00 5.133930504e-01 2.233493410e+00 1.503198279e-01 -3.452174040e-02 2.04 2.796890316e+00 4.219766990e+00 4.328050585e-01 1.856158485e+00 5.493762323e-04 -8.593367868e-02 2.06 2.502462654e+00 3.857061281e+00 3.582821751e-01 1.500231521e+00 -1.392176362e-01 -1.336295327e-01 2.08 2.228098103e+00 3.513944605e+00 2.894503028e-01 1.164731596e+00 -2.694321712e-01 -1.777946013e-01 2.10 1.972621376e+00 3.189499431e+00 2.259579000e-01 8.487260366e-01 -3.905270110e-01 -2.186057504e-01 2.12 1.734926503e+00 2.882854035e+00 1.674744982e-01 5.513273375e-01 -5.029176889e-01 -2.562317810e-01 2.14 1.513972207e+00 2.593179654e+00 1.136893120e-01 2.716908262e-01 -6.070033691e-01 -2.908339928e-01 2.16 1.308777657e+00 2.319687836e+00 6.430992973e-02 9.011552976e-03 -7.031677467e-01 -3.225665061e-01 2.18 1.118418528e+00 2.061628079e+00 1.906111683e-02 -2.374774629e-01 -7.917796800e-01 -3.515766699e-01 2.20 9.420232898e-01 1.818285612e+00 -2.231624035e-02 -4.685078918e-01 -8.731939708e-01 -3.780054176e-01 2.22 7.787698885e-01 1.588979374e+00 -6.006623378e-02 -6.847781997e-01 -9.477520359e-01 -4.019875812e-01 2.24 6.278825867e-01 1.373059953e+00 -9.441880172e-02 -8.869549221e-01 -1.015782461e+00 -4.236522074e-01 2.26 4.886290693e-01 1.169907983e+00 -1.255906324e-01 -1.075675128e+00 -1.077601544e+00 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