# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu
# implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1
# composition = CuFe2
# 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 2024-11-27

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 -6.738100016e+02 
0.94 -6.281734329e+02 
0.96 -5.868501773e+02 
0.98 -5.484481934e+02 
1.00 -5.121724695e+02 
1.02 -4.781974763e+02 
1.04 -4.466988381e+02 
1.06 -4.179318435e+02 
1.08 -3.910602914e+02 
1.10 -3.658449214e+02 
1.12 -3.421346595e+02 
1.14 -3.203766569e+02 
1.16 -3.014999389e+02 
1.18 -2.846869139e+02 
1.20 -2.692314043e+02 
1.22 -2.546377375e+02 
1.24 -2.402462956e+02 
1.26 -2.263072150e+02 
1.28 -2.130980945e+02 
1.30 -2.010016979e+02 
1.32 -1.896196862e+02 
1.34 -1.784887395e+02 
1.36 -1.675530487e+02 
1.38 -1.566719536e+02 
1.40 -1.460502963e+02 
1.42 -1.357723091e+02 
1.44 -1.258201427e+02 
1.46 -1.160463007e+02 
1.48 -1.064127811e+02 
1.50 -9.695911514e+01 
1.52 -8.781390145e+01 
1.54 -7.910852874e+01 
1.56 -7.094083637e+01 
1.58 -6.323167111e+01 
1.60 -5.609938753e+01 
1.62 -4.925204271e+01 
1.64 -4.269193076e+01 
1.66 -3.650485765e+01 
1.68 -3.078005830e+01 
1.70 -2.552496107e+01 
1.72 -2.069191514e+01 
1.74 -1.616777821e+01 
1.76 -1.228879182e+01 
1.78 -8.838937577e+00 
1.80 -6.145386268e+00 
1.82 -4.137716627e+00 
1.84 -2.631444441e+00 
1.86 -1.539220546e+00 
1.88 -8.170151075e-01 
1.90 -4.077993851e-01 
1.92 -2.350460577e-01 
1.94 -2.235853957e-01 
1.96 -3.122499681e-01 
1.98 -4.544415363e-01 
2.00 -6.347599410e-01 
2.02 -8.590618126e-01 
2.04 -1.118563716e+00 
2.06 -1.400972527e+00 
2.08 -1.684208880e+00 
2.10 -1.949559023e+00 
2.12 -2.185621177e+00 
2.14 -2.411220068e+00 
2.16 -2.598839219e+00 
2.18 -2.760186788e+00 
2.20 -2.895970869e+00 
2.22 -3.006837858e+00 
2.24 -3.095079242e+00 
2.26 -3.163497046e+00 
2.28 -3.214413648e+00 
2.30 -3.249333844e+00 
2.32 -3.268996020e+00 
2.34 -3.285058549e+00 
2.36 -3.284154017e+00 
2.38 -3.272590953e+00 
2.40 -3.265433341e+00 
2.42 -3.246143513e+00 
2.44 -3.223446366e+00 
2.46 -3.198988510e+00 
2.48 -3.174286835e+00 
2.50 -3.150749382e+00 
2.52 -3.129428123e+00 
2.54 -3.110910752e+00 
2.56 -3.095647911e+00 
2.58 -3.083914353e+00 
2.60 -3.079022966e+00 
2.62 -3.077013308e+00 
2.64 -3.078822092e+00 
2.66 -3.082508393e+00 
2.68 -3.084330656e+00 
2.70 -3.081829021e+00 
2.72 -3.074286610e+00 
2.74 -3.062321801e+00 
2.76 -3.047175472e+00 
2.78 -3.029853670e+00 
2.80 -3.009979726e+00 
2.82 -2.986129506e+00 
2.84 -2.956105644e+00 
2.86 -2.916717793e+00 
2.88 -2.863489428e+00 
2.90 -2.790705287e+00 
2.92 -2.691937600e+00 
2.94 -2.561480715e+00 
2.96 -2.395208450e+00 
2.98 -2.190389621e+00 
3.00 -1.942704200e+00 
3.02 -1.646672952e+00 
3.04 -1.303840481e+00 
3.06 -9.159187479e-01 
3.08 -4.934534139e-01 
3.10 -4.712703349e-02 
3.12  4.118725277e-01 
3.14  8.146477114e-01 
3.16  1.228345778e+00 
3.18  1.609037759e+00 
3.20  1.945941451e+00 
3.22  2.229620681e+00 
3.24  2.452565394e+00 
3.26  2.610727263e+00 
3.28  2.704900812e+00 
3.30  2.741571298e+00 
3.32  2.732561200e+00 
3.34  2.693149278e+00 
3.36  2.639038674e+00 
3.38  2.583318762e+00 
3.40  2.534711280e+00 
3.42  2.497482371e+00 
3.44  2.472378534e+00 
3.46  2.458139277e+00 
3.48  2.452855158e+00 
3.50  2.454840376e+00 
3.52  2.463016316e+00 
3.54  2.476935901e+00 
3.56  2.496586219e+00 
3.58  2.522089827e+00 
3.60  2.553491517e+00 
3.62  2.590727252e+00 
3.64  2.633635913e+00 
3.66  2.681980101e+00 
3.68  2.704239589e+00 
3.70  2.745942333e+00 
3.72  2.787442510e+00 
3.74  2.828004250e+00 
3.76  2.866958105e+00 
3.78  2.903703951e+00 
3.80  2.937708920e+00 
3.82  2.968500796e+00 
3.84  2.995657818e+00 
3.86  3.018827550e+00 
3.88  3.037966891e+00 
3.90  3.053164272e+00 
3.92  3.064478067e+00 
3.94  3.071977947e+00 
3.96  3.075778472e+00 
3.98  3.075964070e+00 
4.00  3.072581377e+00 
4.02  3.065641062e+00 
4.04  3.055118349e+00 
4.06  3.040953743e+00 
4.08  3.023053600e+00 
4.10  3.001289914e+00 
4.12  2.975500144e+00 
4.14  2.945467846e+00 
4.16  2.910910753e+00 
4.18  2.871506750e+00 
4.20  2.826895825e+00 
4.22  2.776680076e+00 
4.24  2.720420115e+00 
4.26  2.657633138e+00 
4.28  2.587791654e+00 
4.30  2.510320995e+00 
4.32  2.424600401e+00 
4.34  2.329962929e+00 
4.36  2.225699875e+00 
4.38  2.111066743e+00 
4.40  1.985296703e+00 
4.42  1.847618140e+00 
4.44  1.697285045e+00 
4.46  1.533618222e+00 
4.48  1.356060994e+00 
4.50  1.164255400e+00 
4.52  9.581546712e-01 
4.54  7.382898808e-01 
4.56  5.057175214e-01 
4.58  2.621216974e-01 
4.60  9.918275595e-03 
4.62 -2.317186633e-01 
4.64 -3.715148560e-01 
4.66 -3.214475681e-01 
4.68 -2.995043522e-02 
4.70  5.145804078e-01 
4.72  1.287197072e+00 
4.74  2.235916078e+00 
4.76  3.294710551e+00 
4.78  4.396484269e+00 
4.80  5.483024847e+00 
4.82  6.510377743e+00 
4.84  7.449672016e+00 
4.86  8.284777714e+00 
4.88  9.008331825e+00 
4.90  9.617625312e+00 
4.92  1.011126556e+01 
4.94  1.048696982e+01 
4.96  1.074056624e+01 
4.98  1.086599519e+01 
5.00  1.085621143e+01 
5.02  1.070461836e+01 
5.04  1.040685175e+01 
5.06  9.962639276e+00 
5.08  9.376927134e+00 
5.10  8.660461913e+00 
5.12  7.830096968e+00 
5.14  6.908786272e+00 
5.16  5.925126585e+00 
5.18  4.912420057e+00 
5.20  4.156526911e+00 
5.22  3.244359303e+00 
5.24  2.403740829e+00 
5.26  1.660985209e+00 
5.28  1.034586043e+00 
5.30  5.339977139e-01 
5.32  1.593075460e-01 
5.34 -9.806497886e-02 
5.36 -2.536614727e-01 
5.38 -3.275037631e-01 
5.40 -3.412659619e-01 
5.42 -3.156211310e-01 
5.44 -2.682247136e-01 
5.46 -2.126065269e-01 
5.48 -1.579782134e-01 
5.50 -1.097431550e-01 
5.52 -7.037500898e-02 
5.54 -4.035618480e-02 
5.56 -1.897259315e-02 
5.58 -4.915871818e-03 
5.60  3.336359100e-03 
5.62  7.290013302e-03 
5.64  8.306987410e-03 
5.66  7.535791160e-03 
5.68  5.882646063e-03 
5.70  4.009149047e-03 
5.72  2.344998655e-03 
5.74  1.116261934e-03 
5.76  3.802560330e-04 
5.78  6.288101863e-05 
5.80  2.376435258e-07 
5.82 -2.022042408e-05 
5.84 -2.255512392e-04 
5.86 -8.427055908e-04 
5.88 -2.098976351e-03 
5.90 -4.220693667e-03 
5.92 -7.434091944e-03 
5.94 -1.196278610e-02 
5.96 -1.802742721e-02 
5.98 -2.584285960e-02 
6.00 -1.689463095e-02