# Potential energy (eV/atom) vs. nearest neighbor 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 # composition = CdTe3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 2.00 3.430663923e+01 5.983283052e+01 7.023000744e+01 2.02 3.198316623e+01 5.631711776e+01 6.624250679e+01 2.04 2.979527969e+01 5.299244649e+01 6.246914158e+01 2.06 2.773542622e+01 4.984828634e+01 5.889820508e+01 2.08 2.579651213e+01 4.687479919e+01 5.551862861e+01 2.10 2.397182282e+01 4.406273250e+01 5.231978522e+01 2.12 2.225492162e+01 4.140329440e+01 4.929126873e+01 2.14 2.063957849e+01 3.888803213e+01 4.642278312e+01 2.16 1.911960603e+01 3.650876184e+01 4.370390705e+01 2.18 1.768938138e+01 3.425761392e+01 4.112502188e+01 2.20 1.634375013e+01 3.212718092e+01 3.867755825e+01 2.22 1.507855087e+01 3.011070849e+01 3.635496947e+01 2.24 1.388944722e+01 2.820114901e+01 3.415068720e+01 2.26 1.277353887e+01 2.639274248e+01 3.206146618e+01 2.28 1.172623089e+01 2.467886708e+01 3.008151899e+01 2.30 1.074278294e+01 2.305385939e+01 2.820543909e+01 2.32 9.818507629e+00 2.151355886e+01 2.642816269e+01 2.34 8.949172434e+00 2.005357504e+01 2.474494360e+01 2.36 8.131457016e+00 1.867233184e+01 2.315131863e+01 2.38 7.362954135e+00 1.736591961e+01 2.164305835e+01 2.40 6.641904917e+00 1.613070750e+01 2.021609718e+01 2.42 5.967241289e+00 1.496328542e+01 1.886644247e+01 2.44 5.336559287e+00 1.386045053e+01 1.759007096e+01 2.46 4.747561601e+00 1.281917090e+01 1.638284238e+01 2.48 4.198075601e+00 1.183662393e+01 1.524048241e+01 2.50 3.685940859e+00 1.091011582e+01 1.415870063e+01 2.52 3.209221747e+00 1.003705766e+01 1.313347701e+01 2.54 2.765993077e+00 9.214962470e+00 1.216144865e+01 2.56 2.354428258e+00 8.441384287e+00 1.124080309e+01 2.58 1.972781046e+00 7.713834951e+00 1.036745413e+01 2.60 1.619382833e+00 7.029835927e+00 9.542540440e+00 2.62 1.292642152e+00 6.386819750e+00 8.763629634e+00 2.64 9.910448998e-01 5.781967817e+00 8.028552418e+00 2.66 7.131546885e-01 5.212891444e+00 7.335227340e+00 2.68 4.576134931e-01 4.677307828e+00 6.681657078e+00 2.70 2.231306299e-01 4.173371207e+00 6.065928434e+00 2.72 8.488169409e-03 3.699882768e+00 5.486214308e+00 2.74 -1.874866938e-01 3.254968789e+00 4.940778445e+00 2.76 -3.658798598e-01 2.838747186e+00 4.427980883e+00 2.78 -5.277630935e-01 2.449761806e+00 3.946280972e+00 2.80 -6.741568910e-01 2.086661041e+00 3.494235860e+00 2.82 -8.060324126e-01 1.748148687e+00 3.070485227e+00 2.84 -9.243132576e-01 1.432981992e+00 2.673708262e+00 2.86 -1.029877286e+00 1.139969500e+00 2.302706849e+00 2.88 -1.123558255e+00 8.679694005e-01 1.956291704e+00 2.90 -1.206147445e+00 6.158874952e-01 1.633275038e+00 2.92 -1.278395164e+00 3.826756953e-01 1.332508856e+00 2.94 -1.341012200e+00 1.673301337e-01 1.052877167e+00 2.96 -1.394671210e+00 -3.111027585e-02 7.932893685e-01 2.98 -1.440007963e+00 -2.135654234e-01 5.526757080e-01 3.00 -1.477622613e+00 -3.809155447e-01 3.299871384e-01 3.02 -1.508080736e+00 -5.340025110e-01 1.242015111e-01 3.04 -1.531914441e+00 -6.736312356e-01 -6.565077086e-02 3.06 -1.549623309e+00 -8.005710981e-01 -2.405470620e-01 3.08 -1.561675205e+00 -9.155570158e-01 -4.013246096e-01 3.10 -1.568507168e+00 -1.019290810e+00 -5.488069713e-01 3.12 -1.570526115e+00 -1.112442276e+00 -6.837456025e-01 3.14 -1.568109583e+00 -1.195650365e+00 -8.067298418e-01 3.16 -1.561606526e+00 -1.269524244e+00 -9.187326431e-01 3.18 -1.551338164e+00 -1.334644289e+00 -1.019948494e+00 3.20 -1.537599106e+00 -1.391563126e+00 -1.111051450e+00 3.22 -1.520658837e+00 -1.440806544e+00 -1.192625436e+00 3.24 -1.500763832e+00 -1.482874425e+00 -1.265229551e+00 3.26 -1.478140542e+00 -1.518241610e+00 -1.329398884e+00 3.28 -1.452999648e+00 -1.547358727e+00 -1.385645250e+00 3.30 -1.425541870e+00 -1.570653008e+00 -1.434457948e+00 3.32 -1.395965748e+00 -1.588529090e+00 -1.476304492e+00 3.34 -1.364477367e+00 -1.601369768e+00 -1.511631277e+00 3.36 -1.331301820e+00 -1.609536824e+00 -1.540864295e+00 3.38 -1.296695162e+00 -1.613371806e+00 -1.564409737e+00 3.40 -1.260954766e+00 -1.613196965e+00 -1.582654674e+00 3.42 -1.224424529e+00 -1.609316199e+00 -1.595967602e+00 3.44 -1.187490572e+00 -1.602016273e+00 -1.604699079e+00 3.46 -1.150563184e+00 -1.591568165e+00 -1.609182259e+00 3.48 -1.114042996e+00 -1.578228778e+00 -1.609733421e+00 3.50 -1.078274396e+00 -1.562242984e+00 -1.606652497e+00 3.52 -1.043496819e+00 -1.543846074e+00 -1.600223538e+00 3.54 -1.009812073e+00 -1.523266525e+00 -1.590715176e+00 3.56 -9.771865818e-01 -1.500728947e+00 -1.578381051e+00 3.58 -9.454929231e-01 -1.476456744e+00 -1.563460196e+00 3.60 -9.145699845e-01 -1.450673846e+00 -1.546177399e+00 3.62 -8.839557008e-01 -1.423604448e+00 -1.526743540e+00 3.64 -8.545621473e-01 -1.395469586e+00 -1.505355833e+00 3.66 -8.252748686e-01 -1.366479618e+00 -1.482198122e+00 3.68 -7.962719678e-01 -1.336822483e+00 -1.457441033e+00 3.70 -7.675691223e-01 -1.306649726e+00 -1.431242138e+00 3.72 -7.391773160e-01 -1.276064473e+00 -1.403746042e+00 3.74 -7.111030180e-01 -1.245117444e+00 -1.375084425e+00 3.76 -6.833483740e-01 -1.213815983e+00 -1.345376028e+00 3.78 -6.559114221e-01 -1.182145878e+00 -1.314726585e+00 3.80 -6.287863112e-01 -1.150098115e+00 -1.283228677e+00 3.82 -6.019635864e-01 -1.117687694e+00 -1.250961588e+00 3.84 -5.754305052e-01 -1.084818145e+00 -1.217991058e+00 3.86 -5.491714289e-01 -1.051933213e+00 -1.184369071e+00 3.88 -5.231683048e-01 -1.018685535e+00 -1.150133642e+00 3.90 -4.974012227e-01 -9.852480798e-01 -1.115308597e+00 3.92 -4.718491391e-01 -9.516113601e-01 -1.079903562e+00 3.94 -4.464907150e-01 -9.177544392e-01 -1.043914060e+00 3.96 -4.213053413e-01 -8.836452571e-01 -1.007321997e+00 3.98 -3.962743516e-01 -8.492413864e-01 -9.700965769e-01 4.00 -3.713824751e-01 -8.144914908e-01 -9.321959405e-01 4.02 -3.466195453e-01 -7.793377297e-01 -8.935697643e-01 4.04 -3.219825390e-01 -7.437194737e-01 -8.541631868e-01 4.06 -2.974779877e-01 -7.075786769e-01 -8.139224365e-01 4.08 -2.731248976e-01 -6.708673645e-01 -7.728026923e-01 4.10 -2.489582619e-01 -6.335576122e-01 -7.307786685e-01 4.12 -2.250332669e-01 -5.956542893e-01 -6.878584107e-01 4.14 -2.014301815e-01 -5.572107267e-01 -6.441007743e-01 4.16 -1.782596324e-01 -5.183469213e-01 -5.996366746e-01 4.18 -1.556674808e-01 -4.792692820e-01 -5.546938126e-01 4.20 -1.338377772e-01 -4.402855754e-01 -5.096234192e-01 4.22 -1.129915660e-01 -4.018377468e-01 -4.649254755e-01 4.24 -9.337904352e-02 -3.644665354e-01 -4.212648103e-01 4.26 -7.526342017e-02 -3.288112107e-01 -3.794638893e-01 4.28 -5.889702337e-02 -2.955825364e-01 -3.404509395e-01 4.30 -4.449293836e-02 -2.654278322e-01 -3.051416133e-01 4.32 -3.187206518e-02 -2.388392197e-01 -2.742497277e-01 4.34 -2.194277730e-02 -2.160413447e-01 -2.480639788e-01 4.36 -1.401308368e-02 -1.968824349e-01 -2.262881157e-01 4.38 -7.956337260e-03 -1.807909745e-01 -2.080818939e-01 4.40 -3.575499036e-03 -1.669125997e-01 -1.923497681e-01 4.42 -9.190114869e-04 -1.544054542e-01 -1.781083602e-01 4.44 6.364000704e-06 -1.425716074e-01 -1.645676704e-01 4.46 0.000000000e+00 -1.314561514e-01 -1.518469466e-01 4.48 0.000000000e+00 -1.205343860e-01 -1.393176218e-01 4.50 0.000000000e+00 -1.098662888e-01 -1.270667505e-01 4.52 0.000000000e+00 -9.947255310e-02 -1.151200268e-01 4.54 0.000000000e+00 -8.937975204e-02 -1.035099870e-01 4.56 0.000000000e+00 -7.962037918e-02 -9.227610463e-02 4.58 0.000000000e+00 -7.023253839e-02 -8.146448981e-02 4.60 0.000000000e+00 -6.125915991e-02 -7.112705373e-02 4.62 0.000000000e+00 -5.274662982e-02 -6.132000659e-02 4.64 0.000000000e+00 -4.474272817e-02 -5.210156270e-02 4.66 0.000000000e+00 -3.729383420e-02 -4.352876837e-02 4.68 0.000000000e+00 -3.044149241e-02 -3.565345470e-02 4.70 0.000000000e+00 -2.421879232e-02 -2.851752482e-02 4.72 0.000000000e+00 -1.864784542e-02 -2.214824630e-02 4.74 0.000000000e+00 -1.374155312e-02 -1.655546879e-02 4.76 0.000000000e+00 -9.515790208e-03 -1.173562862e-02 4.78 0.000000000e+00 -6.016258527e-03 -7.692004173e-03 4.80 0.000000000e+00 -3.335926862e-03 -4.474202869e-03 4.82 0.000000000e+00 -1.549307744e-03 -2.182841903e-03 4.84 0.000000000e+00 2.551286830e-05 3.828149780e-05 4.86 0.000000000e+00 1.264836415e-05 1.897350818e-05 4.88 0.000000000e+00 4.612652835e-06 6.919000373e-06 4.90 0.000000000e+00 7.593686627e-18 9.049809660e-18 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00