# 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-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2Pb # 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 2024-04-11 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 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.651938352e+02 1.16 3.383214059e+02 1.18 3.135582707e+02 1.20 2.907164682e+02 1.22 2.696274700e+02 1.24 2.501411893e+02 1.26 2.321232519e+02 1.28 2.154521803e+02 1.30 2.000174007e+02 1.32 1.857180510e+02 1.34 1.724621479e+02 1.36 1.601657014e+02 1.38 1.487517933e+02 1.40 1.381501023e+02 1.42 1.282968243e+02 1.44 1.191344434e+02 1.46 1.106111118e+02 1.48 1.026798221e+02 1.50 9.529752876e+01 1.52 8.842502121e+01 1.54 8.203565482e+01 1.56 7.609915752e+01 1.58 7.058129258e+01 1.60 6.545051071e+01 1.62 6.067796340e+01 1.64 5.623742220e+01 1.66 5.210510817e+01 1.68 4.825937894e+01 1.70 4.468031591e+01 1.72 4.134931837e+01 1.74 3.824883437e+01 1.76 3.536227006e+01 1.78 3.267403390e+01 1.80 3.016964282e+01 1.82 2.783582989e+01 1.84 2.566057024e+01 1.86 2.363299340e+01 1.88 2.174321548e+01 1.90 1.998214097e+01 1.92 1.834129521e+01 1.94 1.681273160e+01 1.96 1.538899454e+01 1.98 1.406312194e+01 2.00 1.282863715e+01 2.02 1.167951020e+01 2.04 1.061009742e+01 2.06 9.615089982e+00 2.08 8.689489178e+00 2.10 7.828601250e+00 2.12 7.028040681e+00 2.14 6.283722487e+00 2.16 5.591849362e+00 2.18 4.948896988e+00 2.20 4.351601110e+00 2.22 3.796948223e+00 2.24 3.282164214e+00 2.26 2.804697906e+00 2.28 2.362198511e+00 2.30 1.952490099e+00 2.32 1.573540677e+00 2.34 1.223443218e+00 2.36 9.003896375e-01 2.38 6.026552530e-01 2.40 3.285875824e-01 2.42 7.660097289e-02 2.44 -1.548224982e-01 2.46 -3.671282007e-01 2.48 -5.616816615e-01 2.50 -7.397615178e-01 2.52 -9.025546145e-01 2.54 -1.051154625e+00 2.56 -1.186565050e+00 2.58 -1.309706633e+00 2.60 -1.421427880e+00 2.62 -1.522515407e+00 2.64 -1.613781144e+00 2.66 -1.696104427e+00 2.68 -1.769906380e+00 2.70 -1.835576880e+00 2.72 -1.893510011e+00 2.74 -1.944096558e+00 2.76 -1.987719589e+00 2.78 -2.024751763e+00 2.80 -2.055555758e+00 2.82 -2.080487337e+00 2.84 -2.099903756e+00 2.86 -2.114146907e+00 2.88 -2.123541636e+00 2.90 -2.128397233e+00 2.92 -2.129012723e+00 2.94 -2.125716994e+00 2.96 -2.118768199e+00 2.98 -2.108407799e+00 3.00 -2.094890914e+00 3.02 -2.078487986e+00 3.04 -2.059484323e+00 3.06 -2.038176677e+00 3.08 -2.014866717e+00 3.10 -1.989850783e+00 3.12 -1.963401511e+00 3.14 -1.935769859e+00 3.16 -1.907178289e+00 3.18 -1.877821747e+00 3.20 -1.847865569e+00 3.22 -1.817446529e+00 3.24 -1.786675056e+00 3.26 -1.755638175e+00 3.28 -1.724402974e+00 3.30 -1.693020500e+00 3.32 -1.661529875e+00 3.34 -1.629962324e+00 3.36 -1.598344749e+00 3.38 -1.566702557e+00 3.40 -1.535061332e+00 3.42 -1.503448999e+00 3.44 -1.471894356e+00 3.46 -1.440428072e+00 3.48 -1.409081760e+00 3.50 -1.377887267e+00 3.52 -1.346875984e+00 3.54 -1.316078287e+00 3.56 -1.285523192e+00 3.58 -1.255238225e+00 3.60 -1.225249500e+00 3.62 -1.195581958e+00 3.64 -1.166259691e+00 3.66 -1.137306244e+00 3.68 -1.108744800e+00 3.70 -1.080598142e+00 3.72 -1.052888335e+00 3.74 -1.025636117e+00 3.76 -9.988600837e-01 3.78 -9.725757737e-01 3.80 -9.467948508e-01 3.82 -9.215245258e-01 3.84 -8.967673376e-01 3.86 -8.725213239e-01 3.88 -8.487805309e-01 3.90 -8.255357531e-01 3.92 -8.027753693e-01 3.94 -7.804861566e-01 3.96 -7.586539806e-01 3.98 -7.372643377e-01 4.00 -7.163027327e-01 4.02 -6.957549272e-01 4.04 -6.756071044e-01 4.06 -6.558460032e-01 4.08 -6.364590691e-01 4.10 -6.174332224e-01 4.12 -5.987611557e-01 4.14 -5.804322428e-01 4.16 -5.624396256e-01 4.18 -5.447789406e-01 4.20 -5.274487975e-01 4.22 -5.104511852e-01 4.24 -4.937917252e-01 4.26 -4.774796979e-01 4.28 -4.615277736e-01 4.30 -4.459514105e-01 4.32 -4.307679243e-01 4.34 -4.159952840e-01 4.36 -4.016507361e-01 4.38 -3.877493999e-01 4.40 -3.743029863e-01 4.42 -3.613187814e-01 4.44 -3.487989953e-01 4.46 -3.367405215e-01 4.48 -3.251350930e-01 4.50 -3.139697717e-01 4.52 -3.032276768e-01 4.54 -2.928888458e-01 4.56 -2.829311306e-01 4.58 -2.733310508e-01 4.60 -2.640645512e-01 4.62 -2.551076377e-01 4.64 -2.464368849e-01 4.66 -2.380298279e-01 4.68 -2.298652560e-01 4.70 -2.219234334e-01 4.72 -2.141862703e-01 4.74 -2.066374661e-01 4.76 -1.992626403e-01 4.78 -1.920494606e-01 4.80 -1.849867528e-01 4.82 -1.780688715e-01 4.84 -1.712891820e-01 4.86 -1.646447702e-01 4.88 -1.581352677e-01 4.90 -1.517628185e-01 4.92 -1.455319528e-01 4.94 -1.394493500e-01 4.96 -1.335234846e-01 4.98 -1.277641559e-01 5.00 -1.221819225e-01 5.02 -1.167874668e-01 5.04 -1.115909403e-01 5.06 -1.066013383e-01 5.08 -1.018259494e-01 5.10 -9.726992434e-02 5.12 -9.293598668e-02 5.14 -8.882430890e-02 5.16 -8.493254541e-02 5.18 -8.125600332e-02 5.20 -7.778760149e-02 5.22 -7.451836694e-02 5.24 -7.143902073e-02 5.26 -6.853916447e-02 5.28 -6.580766380e-02 5.30 -6.323303788e-02 5.32 -6.080378258e-02 5.34 -5.850862502e-02 5.36 -5.633671314e-02 5.38 -5.427774718e-02 5.40 -5.232206157e-02 5.42 -5.046066678e-02 5.44 -4.868525974e-02 5.46 -4.698821112e-02 5.48 -4.536253618e-02 5.50 -4.380185512e-02 5.52 -4.230034733e-02 5.54 -4.085270308e-02 5.56 -3.945407548e-02 5.58 -3.810003450e-02 5.60 -3.678652447e-02 5.62 -3.550982613e-02 5.64 -3.426652321e-02 5.66 -3.305347508e-02 5.68 -3.186779478e-02 5.70 -3.070683281e-02 5.72 -2.956816657e-02 5.74 -2.844959540e-02 5.76 -2.734914092e-02 5.78 -2.626505237e-02 5.80 -2.519581642e-02 5.82 -2.414017078e-02 5.84 -2.309712064e-02 5.86 -2.206595674e-02 5.88 -2.104627379e-02 5.90 -2.003798725e-02 5.92 -1.904134682e-02 5.94 -1.805692099e-02 5.96 -1.708551364e-02 5.98 -1.612840263e-02 6.00 -1.518720281e-02