# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgCu2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 3.380336829e+02 1.00 3.097460207e+02 1.02 2.840048383e+02 1.04 2.605470447e+02 1.06 2.391363716e+02 1.08 2.195676847e+02 1.10 2.016649443e+02 1.12 1.852759428e+02 1.14 1.702654231e+02 1.16 1.565095667e+02 1.18 1.438943898e+02 1.20 1.323158808e+02 1.22 1.216804363e+02 1.24 1.119041731e+02 1.26 1.029127164e+02 1.28 9.463986822e+01 1.30 8.702518057e+01 1.32 8.001286731e+01 1.34 7.355193363e+01 1.36 6.759625248e+01 1.38 6.210415821e+01 1.40 5.703790600e+01 1.42 5.236346574e+01 1.44 4.804993740e+01 1.46 4.406868960e+01 1.48 4.039298073e+01 1.50 3.699793479e+01 1.52 3.386078510e+01 1.54 3.096093361e+01 1.56 2.827954078e+01 1.58 2.579916067e+01 1.60 2.350387266e+01 1.62 2.137952092e+01 1.64 1.941468094e+01 1.66 1.759938990e+01 1.68 1.592337576e+01 1.70 1.437669256e+01 1.72 1.294949505e+01 1.74 1.163214333e+01 1.76 1.041545812e+01 1.78 9.291050156e+00 1.80 8.251447843e+00 1.82 7.290140998e+00 1.84 6.401415510e+00 1.86 5.580199713e+00 1.88 4.821851926e+00 1.90 4.122046681e+00 1.92 3.476689120e+00 1.94 2.881926898e+00 1.96 2.334158634e+00 1.98 1.830078892e+00 2.00 1.366678485e+00 2.02 9.412316518e-01 2.04 5.512622541e-01 2.06 1.944873277e-01 2.08 -1.312423601e-01 2.10 -4.279764554e-01 2.12 -6.977034767e-01 2.14 -9.423492422e-01 2.16 -1.163792141e+00 2.18 -1.363856229e+00 2.20 -1.544290780e+00 2.22 -1.706777581e+00 2.24 -1.852893142e+00 2.26 -1.984115093e+00 2.28 -2.101792787e+00 2.30 -2.207617733e+00 2.32 -2.302786690e+00 2.34 -2.387628552e+00 2.36 -2.462531830e+00 2.38 -2.527904860e+00 2.40 -2.584137291e+00 2.42 -2.631586736e+00 2.44 -2.670577864e+00 2.46 -2.701459350e+00 2.48 -2.724728903e+00 2.50 -2.740756161e+00 2.52 -2.749776751e+00 2.54 -2.752078198e+00 2.56 -2.747990547e+00 2.58 -2.737891240e+00 2.60 -2.722210298e+00 2.62 -2.701418313e+00 2.64 -2.676031706e+00 2.66 -2.646606927e+00 2.68 -2.613725021e+00 2.70 -2.577973771e+00 2.72 -2.539931348e+00 2.74 -2.500143621e+00 2.76 -2.459096389e+00 2.78 -2.417190466e+00 2.80 -2.374725662e+00 2.82 -2.331902064e+00 2.84 -2.288826101e+00 2.86 -2.245538030e+00 2.88 -2.202035379e+00 2.90 -2.158297823e+00 2.92 -2.114307438e+00 2.94 -2.070061493e+00 2.96 -2.025581305e+00 2.98 -1.980913508e+00 3.00 -1.936132391e+00 3.02 -1.891335520e+00 3.04 -1.846637659e+00 3.06 -1.802166330e+00 3.08 -1.758051235e+00 3.10 -1.714415459e+00 3.12 -1.671368215e+00 3.14 -1.628997861e+00 3.16 -1.587368424e+00 3.18 -1.546518543e+00 3.20 -1.506463911e+00 3.22 -1.467201830e+00 3.24 -1.428713843e+00 3.26 -1.390973778e+00 3.28 -1.353949924e+00 3.30 -1.317608083e+00 3.32 -1.281917555e+00 3.34 -1.246849775e+00 3.36 -1.212381436e+00 3.38 -1.178491775e+00 3.40 -1.145173657e+00 3.42 -1.112414658e+00 3.44 -1.080208315e+00 3.46 -1.048550708e+00 3.48 -1.017438466e+00 3.50 -9.868672933e-01 3.52 -9.568314280e-01 3.54 -9.273228196e-01 3.56 -8.983312084e-01 3.58 -8.698422685e-01 3.60 -8.418409324e-01 3.62 -8.143093048e-01 3.64 -7.872292720e-01 3.66 -7.605840612e-01 3.68 -7.343593614e-01 3.70 -7.085463636e-01 3.72 -6.831434988e-01 3.74 -6.581574703e-01 3.76 -6.336074353e-01 3.78 -6.095217006e-01 3.80 -5.859422630e-01 3.82 -5.629177915e-01 3.84 -5.405048896e-01 3.86 -5.187607960e-01 3.88 -4.977412677e-01 3.90 -4.774930346e-01 3.92 -4.580515698e-01 3.94 -4.394378105e-01 3.96 -4.216542925e-01 3.98 -4.046941954e-01 4.00 -3.885300083e-01 4.02 -3.731242513e-01 4.04 -3.584311354e-01 4.06 -3.443990373e-01 4.08 -3.309720235e-01 4.10 -3.180944073e-01 4.12 -3.057111339e-01 4.14 -2.937690099e-01 4.16 -2.822182102e-01 4.18 -2.710130677e-01 4.20 -2.601126544e-01 4.22 -2.494802817e-01 4.24 -2.390853660e-01 4.26 -2.289028014e-01 4.28 -2.189133191e-01 4.30 -2.091043646e-01 4.32 -1.994703213e-01 4.34 -1.900122531e-01 4.36 -1.807378482e-01 4.38 -1.716611563e-01 4.40 -1.628017101e-01 4.42 -1.541824103e-01 4.44 -1.458293052e-01 4.46 -1.377687446e-01 4.48 -1.300253025e-01 4.50 -1.226205209e-01 4.52 -1.155711312e-01 4.54 -1.088878200e-01 4.56 -1.025742640e-01 4.58 -9.662786125e-02 4.60 -9.103948124e-02 4.62 -8.579469703e-02 4.64 -8.087398606e-02 4.66 -7.625511581e-02 4.68 -7.191363262e-02 4.70 -6.782389586e-02 4.72 -6.396028941e-02 4.74 -6.029781475e-02 4.76 -5.681349292e-02 4.78 -5.348614627e-02 4.80 -5.029716571e-02 4.82 -4.723049164e-02 4.84 -4.427276882e-02 4.86 -4.141372474e-02 4.88 -3.864600381e-02 4.90 -3.596502026e-02 4.92 -3.336885970e-02 4.94 -3.085811757e-02 4.96 -2.843536657e-02 4.98 -2.610469460e-02 5.00 -2.387139456e-02 5.02 -2.174131876e-02 5.04 -1.972021798e-02 5.06 -1.781343243e-02 5.08 -1.602538754e-02 5.10 -1.435899995e-02 5.12 -1.281566125e-02 5.14 -1.139540047e-02 5.16 -1.009666655e-02 5.18 -8.916232266e-03 5.20 -7.849512282e-03 5.22 -6.890895980e-03 5.24 -6.033732193e-03 5.26 -5.270947894e-03 5.28 -4.595048251e-03 5.30 -3.998535226e-03 5.32 -3.473890828e-03 5.34 -3.013932324e-03 5.36 -2.611800755e-03 5.38 -2.261098477e-03 5.40 -1.955898260e-03 5.42 -1.690776397e-03 5.44 -1.460855270e-03 5.46 -1.261706856e-03 5.48 -1.089416794e-03 5.50 -9.404939503e-04 5.52 -8.118706619e-04 5.54 -7.008419954e-04 5.56 -6.050414313e-04 5.58 -5.224152635e-04 5.60 -4.511171360e-04 5.62 -3.896791432e-04 5.64 -3.367044414e-04 5.66 -2.910245412e-04 5.68 -2.516313687e-04 5.70 -2.176524306e-04 5.72 -1.883393736e-04 5.74 -1.630415570e-04 5.76 -1.412045491e-04 5.78 -1.223479107e-04 5.80 -1.060584037e-04 5.82 -9.198186822e-05 5.84 -7.981202051e-05 5.86 -6.928657569e-05 5.88 -6.017879244e-05 5.90 -5.229446182e-05 5.92 -4.546595998e-05 5.94 -3.954881715e-05 5.96 -3.441932136e-05 5.98 -2.997022462e-05 6.00 -2.610945541e-05