# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2007--Mendelev-M-I-Sordelet-D-J-Kramer-M-J--Cu-Zr
# implementation = 2007--Mendelev-M-I--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  3.294666694e+04 
1.12  2.998501461e+04 
1.14  2.722940168e+04 
1.16  2.466228560e+04 
1.18  2.226794945e+04 
1.20  2.003198776e+04 
1.22  1.794129216e+04 
1.24  1.598400547e+04 
1.26  1.414945336e+04 
1.28  1.242804282e+04 
1.30  1.081113659e+04 
1.32  9.290947294e+03 
1.34  7.860352062e+03 
1.36  6.512855492e+03 
1.38  5.332756270e+03 
1.40  4.375093003e+03 
1.42  3.596309626e+03 
1.44  2.961821116e+03 
1.46  2.443895355e+03 
1.48  2.020352925e+03 
1.50  1.673393372e+03 
1.52  1.388663388e+03 
1.54  1.154562229e+03 
1.56  9.617005751e+02 
1.58  8.024775937e+02 
1.60  6.707401370e+02 
1.62  5.615112963e+02 
1.64  4.707705808e+02 
1.66  3.952495906e+02 
1.68  3.322798026e+02 
1.70  2.796776578e+02 
1.72  2.356516134e+02 
1.74  1.987236879e+02 
1.76  1.676731349e+02 
1.78  1.414909236e+02 
1.80  1.193427495e+02 
1.82  1.005289030e+02 
1.84  8.447973129e+01 
1.86  7.074720668e+01 
1.88  5.898238678e+01 
1.90  4.907235575e+01 
1.92  4.075532745e+01 
1.94  3.376405895e+01 
1.96  2.787787792e+01 
1.98  2.291459044e+01 
2.00  1.872780850e+01 
2.02  1.522692768e+01 
2.04  1.230197886e+01 
2.06  9.851153691e+00 
2.08  7.788695479e+00 
2.10  6.042630243e+00 
2.12  4.553358572e+00 
2.14  3.273372762e+00 
2.16  2.165609776e+00 
2.18  1.202315551e+00 
2.20  3.656532527e-01 
2.22 -3.553005457e-01 
2.24 -9.714722371e-01 
2.26 -1.495432515e+00 
2.28 -1.939928320e+00 
2.30 -2.317235344e+00 
2.32 -2.638740635e+00 
2.34 -2.914476101e+00 
2.36 -3.153216635e+00 
2.38 -3.363000277e+00 
2.40 -3.550927589e+00 
2.42 -3.722878644e+00 
2.44 -3.883311564e+00 
2.46 -4.035158402e+00 
2.48 -4.179842201e+00 
2.50 -4.317454261e+00 
2.52 -4.447118424e+00 
2.54 -4.567575020e+00 
2.56 -4.677977253e+00 
2.58 -4.778650744e+00 
2.60 -4.870265998e+00 
2.62 -4.952189294e+00 
2.64 -5.023109430e+00 
2.66 -5.081799282e+00 
2.68 -5.127332198e+00 
2.70 -5.159277627e+00 
2.72 -5.177946353e+00 
2.74 -5.184410078e+00 
2.76 -5.180397804e+00 
2.78 -5.168124555e+00 
2.80 -5.150033479e+00 
2.82 -5.128505180e+00 
2.84 -5.105491684e+00 
2.86 -5.082050688e+00 
2.88 -5.057781991e+00 
2.90 -5.030809977e+00 
2.92 -4.999770828e+00 
2.94 -4.963614099e+00 
2.96 -4.921068453e+00 
2.98 -4.871431096e+00 
3.00 -4.814386669e+00 
3.02 -4.750176946e+00 
3.04 -4.679787382e+00 
3.06 -4.604800520e+00 
3.08 -4.526921628e+00 
3.10 -4.447691828e+00 
3.12 -4.368414139e+00 
3.14 -4.290143241e+00 
3.16 -4.213688043e+00 
3.18 -4.139648110e+00 
3.20 -4.068438848e+00 
3.22 -4.000293068e+00 
3.24 -3.935268531e+00 
3.26 -3.873261846e+00 
3.28 -3.814025514e+00 
3.30 -3.757188949e+00 
3.32 -3.702286039e+00 
3.34 -3.648785779e+00 
3.36 -3.596122611e+00 
3.38 -3.543725514e+00 
3.40 -3.491045595e+00 
3.42 -3.437581457e+00 
3.44 -3.382901884e+00 
3.46 -3.326660568e+00 
3.48 -3.268597091e+00 
3.50 -3.208540810e+00 
3.52 -3.146413865e+00 
3.54 -3.082229836e+00 
3.56 -3.016087910e+00 
3.58 -2.948162855e+00 
3.60 -2.878690940e+00 
3.62 -2.807952288e+00 
3.64 -2.736250040e+00 
3.66 -2.663886978e+00 
3.68 -2.591140299e+00 
3.70 -2.518250137e+00 
3.72 -2.445467870e+00 
3.74 -2.373070378e+00 
3.76 -2.301337204e+00 
3.78 -2.230528470e+00 
3.80 -2.160865726e+00 
3.82 -2.092516626e+00 
3.84 -2.025585333e+00 
3.86 -1.960109042e+00 
3.88 -1.896060620e+00 
3.90 -1.833359055e+00 
3.92 -1.771889027e+00 
3.94 -1.711530760e+00 
3.96 -1.652201597e+00 
3.98 -1.593909928e+00 
4.00 -1.536776003e+00 
4.02 -1.480952615e+00 
4.04 -1.426572284e+00 
4.06 -1.373726802e+00 
4.08 -1.322471879e+00 
4.10 -1.272833528e+00 
4.12 -1.224813887e+00 
4.14 -1.178396428e+00 
4.16 -1.133550620e+00 
4.18 -1.090236050e+00 
4.20 -1.048406060e+00 
4.22 -1.008010870e+00 
4.24 -9.690002650e-01 
4.26 -9.313258394e-01 
4.28 -8.949428418e-01 
4.30 -8.598116049e-01 
4.32 -8.258986288e-01 
4.34 -7.931773204e-01 
4.36 -7.616283991e-01 
4.38 -7.312399506e-01 
4.40 -7.020072739e-01 
4.42 -6.739323180e-01 
4.44 -6.470220395e-01 
4.46 -6.212863231e-01 
4.48 -5.967364536e-01 
4.50 -5.733831875e-01 
4.52 -5.512350340e-01 
4.54 -5.302961096e-01 
4.56 -5.105641091e-01 
4.58 -4.920284794e-01 
4.60 -4.746686344e-01 
4.62 -4.584522652e-01 
4.64 -4.433343615e-01 
4.66 -4.292583657e-01 
4.68 -4.161521721e-01 
4.70 -4.039370972e-01 
4.72 -3.925197881e-01 
4.74 -3.818070190e-01 
4.76 -3.716983710e-01 
4.78 -3.620909355e-01 
4.80 -3.528958977e-01 
4.82 -3.440288974e-01 
4.84 -3.354038196e-01 
4.86 -3.269813811e-01 
4.88 -3.187442278e-01 
4.90 -3.106379814e-01 
4.92 -3.024745672e-01 
4.94 -2.943885911e-01 
4.96 -2.865120600e-01 
4.98 -2.789342680e-01 
5.00 -2.717221247e-01 
5.02 -2.650407861e-01 
5.04 -2.585697690e-01 
5.06 -2.519166753e-01 
5.08 -2.447753288e-01 
5.10 -2.369205146e-01 
5.12 -2.284238441e-01 
5.14 -2.193881029e-01 
5.16 -2.099266221e-01 
5.18 -2.001871808e-01 
5.20 -1.901484639e-01 
5.22 -1.797834519e-01 
5.24 -1.691265691e-01 
5.26 -1.582609476e-01 
5.28 -1.473032389e-01 
5.30 -1.363804705e-01 
5.32 -1.256484150e-01 
5.34 -1.154036192e-01 
5.36 -1.058804486e-01 
5.38 -9.724185006e-02 
5.40 -8.959225463e-02 
5.42 -8.298622707e-02 
5.44 -7.743350081e-02 
5.46 -7.290088231e-02 
5.48 -6.931142142e-02 
5.50 -6.654123557e-02 
5.52 -6.441798323e-02 
5.54 -6.275648292e-02 
5.56 -6.139684589e-02 
5.58 -6.020615864e-02 
5.60 -5.907625576e-02 
5.62 -5.792139440e-02 
5.64 -5.667591173e-02 
5.66 -5.529192832e-02 
5.68 -5.373711776e-02 
5.70 -5.199262232e-02 
5.72 -5.005107790e-02 
5.74 -4.791481892e-02 
5.76 -4.559420751e-02 
5.78 -4.310613818e-02 
5.80 -4.047269139e-02 
5.82 -3.771992146e-02 
5.84 -3.487680789e-02 
5.86 -3.197431708e-02 
5.88 -2.904458923e-02 
5.90 -2.612024942e-02 
5.92 -2.323381160e-02 
5.94 -2.041718551e-02 
5.96 -1.770126267e-02 
5.98 -1.511560292e-02 
6.00 -1.268815875e-02