# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--Cu-Zr
# implementation = 2016--Borovikov-V--Cu-Zr--LAMMPS--ipr1
# composition = CuZr2
# 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  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  3.090875097e+04 
1.12  2.849070593e+04 
1.14  2.624114277e+04 
1.16  2.414571735e+04 
1.18  2.219162817e+04 
1.20  2.036713349e+04 
1.22  1.866162051e+04 
1.24  1.706544193e+04 
1.26  1.556975284e+04 
1.28  1.416656468e+04 
1.30  1.284871897e+04 
1.32  1.160977714e+04 
1.34  1.044386526e+04 
1.36  9.345642998e+03 
1.38  8.310273226e+03 
1.40  7.333343201e+03 
1.42  6.410854317e+03 
1.44  5.539238745e+03 
1.46  4.715086064e+03 
1.48  3.935649029e+03 
1.50  3.255628903e+03 
1.52  2.697498266e+03 
1.54  2.238601313e+03 
1.56  1.860619476e+03 
1.58  1.548728654e+03 
1.60  1.290920131e+03 
1.62  1.077447774e+03 
1.64  9.003807109e+02 
1.66  7.532557479e+02 
1.68  6.307980005e+02 
1.70  5.286936937e+02 
1.72  4.434092841e+02 
1.74  3.720460718e+02 
1.76  3.122237357e+02 
1.78  2.619824277e+02 
1.80  2.197032165e+02 
1.82  1.840474406e+02 
1.84  1.539080009e+02 
1.86  1.283996883e+02 
1.88  1.070140190e+02 
1.90  8.911234720e+01 
1.92  7.410713271e+01 
1.94  6.151264176e+01 
1.96  5.092709253e+01 
1.98  4.201782909e+01 
2.00  3.451349404e+01 
2.02  2.822028857e+01 
2.04  2.294382741e+01 
2.06  1.851347150e+01 
2.08  1.478793840e+01 
2.10  1.165140748e+01 
2.12  9.009683293e+00 
2.14  6.785282186e+00 
2.16  4.913356239e+00 
2.18  3.338828506e+00 
2.20  2.015146483e+00 
2.22  9.026655267e-01 
2.24 -3.292211348e-02 
2.26 -8.215434500e-01 
2.28 -1.488787789e+00 
2.30 -2.056189342e+00 
2.32 -2.534977906e+00 
2.34 -2.935098384e+00 
2.36 -3.270859227e+00 
2.38 -3.554207759e+00 
2.40 -3.795057587e+00 
2.42 -4.001467358e+00 
2.44 -4.179822850e+00 
2.46 -4.335025554e+00 
2.48 -4.470695258e+00 
2.50 -4.589405135e+00 
2.52 -4.692954688e+00 
2.54 -4.782688575e+00 
2.56 -4.859779447e+00 
2.58 -4.925152190e+00 
2.60 -4.979612377e+00 
2.62 -5.024853371e+00 
2.64 -5.062955229e+00 
2.66 -5.094827349e+00 
2.68 -5.120601962e+00 
2.70 -5.140160756e+00 
2.72 -5.153252663e+00 
2.74 -5.159625896e+00 
2.76 -5.159231819e+00 
2.78 -5.152240811e+00 
2.80 -5.138985441e+00 
2.82 -5.119901926e+00 
2.84 -5.095454504e+00 
2.86 -5.066143683e+00 
2.88 -5.032470565e+00 
2.90 -4.994706122e+00 
2.92 -4.952952570e+00 
2.94 -4.907493121e+00 
2.96 -4.858815051e+00 
2.98 -4.807536476e+00 
3.00 -4.754321531e+00 
3.02 -4.699701377e+00 
3.04 -4.644172625e+00 
3.06 -4.588272639e+00 
3.08 -4.532427456e+00 
3.10 -4.476946774e+00 
3.12 -4.422088525e+00 
3.14 -4.368063172e+00 
3.16 -4.315024818e+00 
3.18 -4.263065589e+00 
3.20 -4.212213517e+00 
3.22 -4.162429443e+00 
3.24 -4.113608413e+00 
3.26 -4.065588352e+00 
3.28 -4.018160294e+00 
3.30 -3.971079315e+00 
3.32 -3.924076406e+00 
3.34 -3.876872086e+00 
3.36 -3.829189467e+00 
3.38 -3.780766492e+00 
3.40 -3.731367577e+00 
3.42 -3.680794472e+00 
3.44 -3.628896112e+00 
3.46 -3.575572829e+00 
3.48 -3.520769563e+00 
3.50 -3.464473974e+00 
3.52 -3.406715953e+00 
3.54 -3.347565034e+00 
3.56 -3.287125588e+00 
3.58 -3.225529731e+00 
3.60 -3.162927886e+00 
3.62 -3.099476994e+00 
3.64 -3.035326344e+00 
3.66 -2.970601068e+00 
3.68 -2.905383345e+00 
3.70 -2.839707614e+00 
3.72 -2.773621871e+00 
3.74 -2.707215563e+00 
3.76 -2.640607832e+00 
3.78 -2.573935322e+00 
3.80 -2.507341222e+00 
3.82 -2.440965830e+00 
3.84 -2.374939685e+00 
3.86 -2.309378929e+00 
3.88 -2.244382036e+00 
3.90 -2.180028674e+00 
3.92 -2.116381011e+00 
3.94 -2.053487708e+00 
3.96 -1.991390868e+00 
3.98 -1.930135909e+00 
4.00 -1.869766287e+00 
4.02 -1.810282756e+00 
4.04 -1.751663633e+00 
4.06 -1.693901888e+00 
4.08 -1.637005517e+00 
4.10 -1.580994507e+00 
4.12 -1.525898184e+00 
4.14 -1.471752938e+00 
4.16 -1.418600265e+00 
4.18 -1.366485103e+00 
4.20 -1.315454427e+00 
4.22 -1.265556069e+00 
4.24 -1.216837741e+00 
4.26 -1.169346215e+00 
4.28 -1.123126656e+00 
4.30 -1.078222067e+00 
4.32 -1.034672824e+00 
4.34 -9.925162847e-01 
4.36 -9.517864524e-01 
4.38 -9.125136664e-01 
4.40 -8.747243213e-01 
4.42 -8.384405239e-01 
4.44 -8.036790784e-01 
4.46 -7.704502984e-01 
4.48 -7.387573877e-01 
4.50 -7.085958729e-01 
4.52 -6.799529671e-01 
4.54 -6.528071101e-01 
4.56 -6.271274761e-01 
4.58 -6.028735754e-01 
4.60 -5.799950699e-01 
4.62 -5.584318174e-01 
4.64 -5.381141108e-01 
4.66 -5.189631031e-01 
4.68 -5.008917699e-01 
4.70 -4.838077316e-01 
4.72 -4.676141304e-01 
4.74 -4.522130185e-01 
4.76 -4.375077428e-01 
4.78 -4.234050383e-01 
4.80 -4.098189857e-01 
4.82 -3.966758833e-01 
4.84 -3.839125928e-01 
4.86 -3.714928537e-01 
4.88 -3.593907868e-01 
4.90 -3.475917043e-01 
4.92 -3.360919695e-01 
4.94 -3.248691629e-01 
4.96 -3.139133472e-01 
4.98 -3.032366433e-01 
5.00 -2.928303828e-01 
5.02 -2.824724900e-01 
5.04 -2.723328782e-01 
5.06 -2.626290537e-01 
5.08 -2.535105950e-01 
5.10 -2.451279028e-01 
5.12 -2.375682832e-01 
5.14 -2.302539694e-01 
5.16 -2.227172733e-01 
5.18 -2.145629597e-01 
5.20 -2.057443282e-01 
5.22 -1.963244154e-01 
5.24 -1.863944062e-01 
5.26 -1.760755719e-01 
5.28 -1.653902965e-01 
5.30 -1.543781251e-01 
5.32 -1.431171832e-01 
5.34 -1.317076508e-01 
5.36 -1.202578985e-01 
5.38 -1.088601422e-01 
5.40 -9.775350403e-02 
5.42 -8.714313154e-02 
5.44 -7.714923945e-02 
5.46 -6.783131098e-02 
5.48 -5.920682370e-02 
5.50 -5.126560151e-02 
5.52 -4.398068179e-02 
5.54 -3.731601993e-02 
5.56 -3.123145722e-02 
5.58 -2.568603981e-02 
5.60 -2.064014250e-02 
5.62 -1.605670933e-02 
5.64 -1.190186523e-02 
5.66 -8.145096565e-03 
5.68 -4.759150973e-03 
5.70 -1.719769039e-03 
5.72  9.946701079e-04 
5.74  3.403531466e-03 
5.76  5.524296012e-03 
5.78  7.372897005e-03 
5.80  8.964006739e-03 
5.82  1.031126748e-02 
5.84  1.142746574e-02 
5.86  1.232465275e-02 
5.88  1.301421587e-02 
5.90  1.350690733e-02 
5.92  1.381283662e-02 
5.94  1.394143304e-02 
5.96  1.390138431e-02 
5.98  1.370055666e-02 
6.00  1.334590075e-02