# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Purja-Pun-G-P-Darling-K-A-Kecskes-L-J-Mishin-Y--Cu-Ta
# implementation = 2015--Purja-Pun-G-P--Cu-Ta--LAMMPS--ipr2
# composition = CuTa2
# 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 -4.222688484e+05 
0.96 -4.769775938e+05 
0.98 -5.186935426e+05 
1.00 -5.506786992e+05 
1.02 -4.505154074e+05 
1.04 -3.222658038e+05 
1.06 -2.255730157e+05 
1.08 -1.540409080e+05 
1.10 -1.022380159e+05 
1.12 -6.533212156e+04 
1.14 -3.945627248e+04 
1.16 -2.177522839e+04 
1.18 -1.014349909e+04 
1.20 -2.836829885e+03 
1.22  1.492207857e+03 
1.24  3.837885202e+03 
1.26  4.885320343e+03 
1.28  5.094555972e+03 
1.30  4.790609304e+03 
1.32  4.222751083e+03 
1.34  3.585449736e+03 
1.36  3.013393069e+03 
1.38  2.539502425e+03 
1.40  2.146400350e+03 
1.42  1.819301014e+03 
1.44  1.546340378e+03 
1.46  1.317902930e+03 
1.48  1.126188808e+03 
1.50  9.648847040e+02 
1.52  8.288617089e+02 
1.54  7.139048185e+02 
1.56  6.165232879e+02 
1.58  5.338121475e+02 
1.60  4.633549517e+02 
1.62  4.031644128e+02 
1.64  3.516198819e+02 
1.66  3.073834764e+02 
1.68  2.693229211e+02 
1.70  2.364981003e+02 
1.72  2.081357295e+02 
1.74  1.835743657e+02 
1.76  1.622384635e+02 
1.78  1.436314965e+02 
1.80  1.273253492e+02 
1.82  1.129542407e+02 
1.84  1.002223326e+02 
1.86  8.890344005e+01 
1.88  7.882233571e+01 
1.90  6.982815495e+01 
1.92  6.178790749e+01 
1.94  5.459445172e+01 
1.96  4.816135928e+01 
1.98  4.240647092e+01 
2.00  3.724897160e+01 
2.02  3.260920130e+01 
2.04  2.840838216e+01 
2.06  2.457605406e+01 
2.08  2.105884550e+01 
2.10  1.782100627e+01 
2.12  1.483318799e+01 
2.14  1.206923241e+01 
2.16  9.532275762e+00 
2.18  7.274672866e+00 
2.20  5.337040101e+00 
2.22  3.697796823e+00 
2.24  2.301390453e+00 
2.26  1.082204817e+00 
2.28 -1.732082604e-02 
2.30 -1.035830484e+00 
2.32 -1.975098483e+00 
2.34 -2.790090976e+00 
2.36 -3.457086583e+00 
2.38 -3.994766535e+00 
2.40 -4.429026769e+00 
2.42 -4.778036170e+00 
2.44 -5.053881470e+00 
2.46 -5.267315445e+00 
2.48 -5.431229043e+00 
2.50 -5.557290450e+00 
2.52 -5.655070803e+00 
2.54 -5.732250451e+00 
2.56 -5.794485758e+00 
2.58 -5.844599283e+00 
2.60 -5.883951293e+00 
2.62 -5.913462330e+00 
2.64 -5.933706786e+00 
2.66 -5.944999373e+00 
2.68 -5.947434528e+00 
2.70 -5.940990208e+00 
2.72 -5.926015549e+00 
2.74 -5.902943093e+00 
2.76 -5.872047924e+00 
2.78 -5.833434012e+00 
2.80 -5.787021437e+00 
2.82 -5.732571939e+00 
2.84 -5.669694061e+00 
2.86 -5.597963093e+00 
2.88 -5.517205357e+00 
2.90 -5.427810877e+00 
2.92 -5.331173905e+00 
2.94 -5.230059917e+00 
2.96 -5.128527359e+00 
2.98 -5.030902131e+00 
3.00 -4.940014964e+00 
3.02 -4.856172854e+00 
3.04 -4.777835628e+00 
3.06 -4.703075587e+00 
3.08 -4.630517088e+00 
3.10 -4.559563388e+00 
3.12 -4.490065741e+00 
3.14 -4.421865533e+00 
3.16 -4.354731750e+00 
3.18 -4.288358449e+00 
3.20 -4.222354147e+00 
3.22 -4.156221204e+00 
3.24 -4.089325782e+00 
3.26 -4.020867007e+00 
3.28 -3.949876467e+00 
3.30 -3.875322114e+00 
3.32 -3.796409957e+00 
3.34 -3.713708306e+00 
3.36 -3.629341231e+00 
3.38 -3.545402930e+00 
3.40 -3.463388098e+00 
3.42 -3.384141265e+00 
3.44 -3.307211407e+00 
3.46 -3.231865727e+00 
3.48 -3.157435965e+00 
3.50 -3.083419122e+00 
3.52 -3.009542280e+00 
3.54 -2.935759023e+00 
3.56 -2.862174843e+00 
3.58 -2.789049367e+00 
3.60 -2.717239512e+00 
3.62 -2.647542065e+00 
3.64 -2.580247151e+00 
3.66 -2.515316534e+00 
3.68 -2.452615213e+00 
3.70 -2.392022379e+00 
3.72 -2.333464554e+00 
3.74 -2.276755472e+00 
3.76 -2.221681681e+00 
3.78 -2.168075025e+00 
3.80 -2.115793525e+00 
3.82 -2.064744449e+00 
3.84 -2.014926519e+00 
3.86 -1.966345668e+00 
3.88 -1.919001596e+00 
3.90 -1.872886662e+00 
3.92 -1.827985005e+00 
3.94 -1.784272096e+00 
3.96 -1.741714669e+00 
3.98 -1.700270583e+00 
4.00 -1.659888789e+00 
4.02 -1.620510331e+00 
4.04 -1.582068758e+00 
4.06 -1.544489637e+00 
4.08 -1.507692621e+00 
4.10 -1.471591121e+00 
4.12 -1.436091638e+00 
4.14 -1.401096919e+00 
4.16 -1.366502165e+00 
4.18 -1.332198836e+00 
4.20 -1.298072722e+00 
4.22 -1.264004579e+00 
4.24 -1.229873060e+00 
4.26 -1.195553821e+00 
4.28 -1.160926833e+00 
4.30 -1.125884175e+00 
4.32 -1.090334218e+00 
4.34 -1.054230486e+00 
4.36 -1.017559500e+00 
4.38 -9.804076145e-01 
4.40 -9.429155879e-01 
4.42 -9.053231703e-01 
4.44 -8.679332403e-01 
4.46 -8.310471899e-01 
4.48 -7.949587843e-01 
4.50 -7.599150618e-01 
4.52 -7.260571206e-01 
4.54 -6.934955417e-01 
4.56 -6.622554922e-01 
4.58 -6.323353008e-01 
4.60 -6.037091298e-01 
4.62 -5.763344208e-01 
4.64 -5.501685363e-01 
4.66 -5.251631569e-01 
4.68 -5.012751889e-01 
4.70 -4.784626097e-01 
4.72 -4.566878883e-01 
4.74 -4.359106126e-01 
4.76 -4.160889074e-01 
4.78 -3.971930303e-01 
4.80 -3.792201802e-01 
4.82 -3.621667006e-01 
4.84 -3.459472998e-01 
4.86 -3.304698044e-01 
4.88 -3.157125556e-01 
4.90 -3.019031365e-01 
4.92 -2.891559472e-01 
4.94 -2.774006495e-01 
4.96 -2.660385439e-01 
4.98 -2.548705145e-01 
5.00 -2.437779417e-01 
5.02 -2.329012104e-01 
5.04 -2.226535191e-01 
5.06 -2.132541699e-01 
5.08 -2.046277916e-01 
5.10 -1.967410727e-01 
5.12 -1.895650329e-01 
5.14 -1.830159198e-01 
5.16 -1.769892445e-01 
5.18 -1.713790364e-01 
5.20 -1.660875557e-01 
5.22 -1.610293229e-01 
5.24 -1.561320117e-01 
5.26 -1.513356955e-01 
5.28 -1.465912683e-01 
5.30 -1.418583859e-01 
5.32 -1.371031476e-01 
5.34 -1.322956948e-01 
5.36 -1.274091147e-01 
5.38 -1.224177333e-01 
5.40 -1.172960925e-01 
5.42 -1.120189843e-01 
5.44 -1.065617521e-01 
5.46 -1.009005360e-01 
5.48 -9.501334662e-02 
5.50 -8.888186191e-02 
5.52 -8.249435188e-02 
5.54 -7.584951018e-02 
5.56 -6.896340909e-02 
5.58 -6.187687478e-02 
5.60 -5.466385145e-02 
5.62 -4.743673128e-02 
5.64 -4.035220768e-02 
5.66 -3.359237958e-02 
5.68 -2.734317492e-02 
5.70 -2.175546981e-02 
5.72 -1.693048682e-02 
5.74 -1.290963218e-02 
5.76 -9.669736241e-03 
5.78 -7.141503238e-03 
5.80 -5.223684025e-03 
5.82 -3.798854545e-03 
5.84 -2.751732545e-03 
5.86 -1.984234426e-03 
5.88 -1.417459791e-03 
5.90 -9.939160269e-04 
5.92 -6.774879562e-04 
5.94 -4.465744663e-04 
5.96 -2.832727644e-04 
5.98 -1.718311877e-04 
6.00 -9.885493036e-05