# 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 = Te3Zn # 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 2.371739268e+01 4.283576203e+01 5.151974055e+01 2.02 2.196857838e+01 4.014838668e+01 4.845837482e+01 2.04 2.032629820e+01 3.761110445e+01 4.556341581e+01 2.06 1.878476755e+01 3.521580216e+01 4.282604443e+01 2.08 1.733851808e+01 3.295486157e+01 4.023787286e+01 2.10 1.598229454e+01 3.082105947e+01 3.779074860e+01 2.12 1.471093986e+01 2.880744738e+01 3.547652515e+01 2.14 1.351931656e+01 2.690723892e+01 3.328689128e+01 2.16 1.240234885e+01 2.511376342e+01 3.121342861e+01 2.18 1.135526105e+01 2.342055880e+01 2.924809246e+01 2.20 1.037395364e+01 2.182156313e+01 2.738405793e+01 2.22 9.455317913e+00 2.031143979e+01 2.561659033e+01 2.24 8.595960246e+00 1.888439479e+01 2.394083613e+01 2.26 7.793827789e+00 1.753596097e+01 2.235538144e+01 2.28 7.044975564e+00 1.626055819e+01 2.085581144e+01 2.30 6.345188108e+00 1.505357939e+01 1.943796704e+01 2.32 5.690294029e+00 1.391215890e+01 1.809794268e+01 2.34 5.076585813e+00 1.283306039e+01 1.683206328e+01 2.36 4.501349045e+00 1.181594334e+01 1.563685190e+01 2.38 3.962857139e+00 1.085773705e+01 1.450898200e+01 2.40 3.460058019e+00 9.955485373e+00 1.344520987e+01 2.42 2.992603991e+00 9.106442324e+00 1.244228704e+01 2.44 2.558598047e+00 8.308043786e+00 1.149686361e+01 2.46 2.156268725e+00 7.557911431e+00 1.060541581e+01 2.48 1.783882117e+00 6.853795890e+00 9.764252233e+00 2.50 1.439774165e+00 6.193558699e+00 8.969663434e+00 2.52 1.122354266e+00 5.575145170e+00 8.218236903e+00 2.54 8.301024866e-01 4.996545978e+00 7.507217814e+00 2.56 5.615670383e-01 4.455747626e+00 6.835577991e+00 2.58 3.153618080e-01 3.950678018e+00 6.199832849e+00 2.60 9.016394368e-02 3.479161689e+00 5.601843428e+00 2.62 -1.152883569e-01 3.038910631e+00 5.039700346e+00 2.64 -3.021981254e-01 2.627578705e+00 4.511692974e+00 2.66 -4.717116103e-01 2.242899188e+00 4.016191971e+00 2.68 -6.249204301e-01 1.882888359e+00 3.551649417e+00 2.70 -7.628634473e-01 1.546043714e+00 3.116592491e+00 2.72 -8.865286997e-01 1.231560583e+00 2.709606455e+00 2.74 -9.968551915e-01 9.379204212e-01 2.329335398e+00 2.76 -1.094734684e+00 6.657362063e-01 1.974393097e+00 2.78 -1.181013380e+00 4.138568633e-01 1.643555082e+00 2.80 -1.256493531e+00 1.812084453e-01 1.335572515e+00 2.82 -1.321935066e+00 -3.323800549e-02 1.049303809e+00 2.84 -1.378057042e+00 -2.304677722e-01 7.836578470e-01 2.86 -1.425539136e+00 -4.114242333e-01 5.375902999e-01 2.88 -1.465023029e+00 -5.770101500e-01 3.100996190e-01 2.90 -1.497113711e+00 -7.280892153e-01 1.002217400e-01 2.92 -1.522380727e+00 -8.654872748e-01 -9.297580805e-02 2.94 -1.541359379e+00 -9.899937789e-01 -2.704002837e-01 2.96 -1.554551801e+00 -1.102362984e+00 -4.329389453e-01 2.98 -1.562427987e+00 -1.203315167e+00 -5.814615644e-01 3.00 -1.565426742e+00 -1.293537913e+00 -7.168181464e-01 3.02 -1.563956481e+00 -1.373687132e+00 -8.398308617e-01 3.04 -1.558396016e+00 -1.444388276e+00 -9.512827447e-01 3.06 -1.549095221e+00 -1.506237404e+00 -1.051908255e+00 3.08 -1.536375534e+00 -1.559802157e+00 -1.142390923e+00 3.10 -1.520530514e+00 -1.605622839e+00 -1.223367917e+00 3.12 -1.501826248e+00 -1.644213316e+00 -1.295432970e+00 3.14 -1.480501761e+00 -1.676062051e+00 -1.359039527e+00 3.16 -1.456769524e+00 -1.701632920e+00 -1.415019554e+00 3.18 -1.430816058e+00 -1.721366128e+00 -1.463475523e+00 3.20 -1.402802916e+00 -1.735679042e+00 -1.504951074e+00 3.22 -1.372868183e+00 -1.744967001e+00 -1.539895655e+00 3.24 -1.341128868e+00 -1.749604077e+00 -1.568737783e+00 3.26 -1.307684611e+00 -1.749943860e+00 -1.591885721e+00 3.28 -1.272623286e+00 -1.746320151e+00 -1.609728131e+00 3.30 -1.236029111e+00 -1.739047636e+00 -1.622634666e+00 3.32 -1.197994042e+00 -1.728422607e+00 -1.630956632e+00 3.34 -1.158632916e+00 -1.714723565e+00 -1.635027567e+00 3.36 -1.118102502e+00 -1.698211922e+00 -1.635163831e+00 3.38 -1.076623445e+00 -1.679132621e+00 -1.631665155e+00 3.40 -1.034502515e+00 -1.657714885e+00 -1.624815215e+00 3.42 -9.921497700e-01 -1.634172968e+00 -1.614882115e+00 3.44 -9.500822452e-01 -1.608707122e+00 -1.602118951e+00 3.46 -9.089029160e-01 -1.581504716e+00 -1.586764282e+00 3.48 -8.692441581e-01 -1.552741707e+00 -1.569042597e+00 3.50 -8.316732082e-01 -1.522584508e+00 -1.549164785e+00 3.52 -7.965775790e-01 -1.491192356e+00 -1.527328575e+00 3.54 -7.640763886e-01 -1.458720194e+00 -1.503718943e+00 3.56 -7.340143911e-01 -1.425321900e+00 -1.478508521e+00 3.58 -7.060587368e-01 -1.391153441e+00 -1.451857978e+00 3.60 -6.798462363e-01 -1.356375086e+00 -1.423916352e+00 3.62 -6.547634660e-01 -1.321151405e+00 -1.394821422e+00 3.64 -6.317042771e-01 -1.285647306e+00 -1.364699963e+00 3.66 -6.094713217e-01 -1.250018843e+00 -1.333668091e+00 3.68 -5.882202264e-01 -1.214398441e+00 -1.301831496e+00 3.70 -5.679150340e-01 -1.178876935e+00 -1.269285676e+00 3.72 -5.484848978e-01 -1.143488083e+00 -1.236116147e+00 3.74 -5.298285691e-01 -1.108200499e+00 -1.202398616e+00 3.76 -5.118233028e-01 -1.072945616e+00 -1.168199156e+00 3.78 -4.943368877e-01 -1.037619863e+00 -1.133574277e+00 3.80 -4.772404660e-01 -1.002141650e+00 -1.098571022e+00 3.82 -4.604194069e-01 -9.664993102e-01 -1.063226986e+00 3.84 -4.437799085e-01 -9.305871352e-01 -1.027570302e+00 3.86 -4.272241330e-01 -8.948149215e-01 -9.916195544e-01 3.88 -4.107725033e-01 -8.588883379e-01 -9.553836736e-01 3.90 -3.943210706e-01 -8.230193566e-01 -9.188616991e-01 3.92 -3.778418396e-01 -7.871851344e-01 -8.820426033e-01 3.94 -3.613100599e-01 -7.513562393e-01 -8.449050169e-01 3.96 -3.446913164e-01 -7.154965169e-01 -8.074170460e-01 3.98 -3.279433322e-01 -6.795630364e-01 -7.695362237e-01 4.00 -3.110213259e-01 -6.435062708e-01 -7.312098061e-01 4.02 -2.938796921e-01 -6.072706965e-01 -6.923756614e-01 4.04 -2.764745126e-01 -5.707962134e-01 -6.529642011e-01 4.06 -2.587670930e-01 -5.340208095e-01 -6.129018429e-01 4.08 -2.407288074e-01 -4.968852390e-01 -5.721168606e-01 4.10 -2.223474092e-01 -4.593405185e-01 -5.305484905e-01 4.12 -2.036348884e-01 -4.213592754e-01 -4.881604162e-01 4.14 -1.846366614e-01 -3.829519475e-01 -4.449597680e-01 4.16 -1.654414119e-01 -3.441885756e-01 -4.010226249e-01 4.18 -1.461901744e-01 -3.052260563e-01 -3.565263754e-01 4.20 -1.270823797e-01 -2.663388600e-01 -3.117877707e-01 4.22 -1.083758449e-01 -2.279477009e-01 -2.673021520e-01 4.24 -9.037759713e-02 -1.906350917e-01 -2.237726821e-01 4.26 -7.342368335e-02 -1.551307860e-01 -1.821082487e-01 4.28 -5.784888673e-02 -1.222496525e-01 -1.433603950e-01 4.30 -4.395065165e-02 -9.277885961e-02 -1.085796948e-01 4.32 -3.195349428e-02 -6.724352619e-02 -7.851681451e-02 4.34 -2.197917469e-02 -4.625356680e-02 -5.391581789e-02 4.36 -1.402509002e-02 -2.961635506e-02 -3.458963854e-02 4.38 -7.957150227e-03 -1.704245895e-02 -2.016370367e-02 4.40 -3.575499036e-03 -8.014716200e-03 -9.927734316e-03 4.42 -9.190114869e-04 -2.277243977e-03 -3.140198938e-03 4.44 6.364000704e-06 1.722750814e-05 2.603005869e-05 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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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