# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn
# implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1
# composition = Cu2Ni
# 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 2024-01-04

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  5.828436324e+02 
0.90  5.288842455e+02 
0.92  4.809940848e+02 
0.94  4.383479270e+02 
0.96  4.002089642e+02 
0.98  3.659015595e+02 
1.00  3.348194004e+02 
1.02  3.065025570e+02 
1.04  2.806558994e+02 
1.06  2.570230487e+02 
1.08  2.353800012e+02 
1.10  2.155285640e+02 
1.12  1.972925125e+02 
1.14  1.805306572e+02 
1.16  1.651066294e+02 
1.18  1.509006216e+02 
1.20  1.378114331e+02 
1.22  1.257535461e+02 
1.24  1.146409566e+02 
1.26  1.043982241e+02 
1.28  9.495673873e+01 
1.30  8.625315343e+01 
1.32  7.823134755e+01 
1.34  7.084608632e+01 
1.36  6.405290679e+01 
1.38  5.780995944e+01 
1.40  5.200015479e+01 
1.42  4.651945874e+01 
1.44  4.148013560e+01 
1.46  3.685701761e+01 
1.48  3.262303331e+01 
1.50  2.875502409e+01 
1.52  2.523225714e+01 
1.54  2.203413049e+01 
1.56  1.913958866e+01 
1.58  1.652853811e+01 
1.60  1.418194829e+01 
1.62  1.208041827e+01 
1.64  1.020557246e+01 
1.66  8.540351025e+00 
1.68  7.068231417e+00 
1.70  5.773322831e+00 
1.72  4.641796127e+00 
1.74  3.659152489e+00 
1.76  2.810564364e+00 
1.78  2.081235338e+00 
1.80  1.455748063e+00 
1.82  9.201561241e-01 
1.84  4.610733365e-01 
1.86  6.513940787e-02 
1.88 -2.812382137e-01 
1.90 -5.919599844e-01 
1.92 -8.791143750e-01 
1.94 -1.146302835e+00 
1.96 -1.394437741e+00 
1.98 -1.624051989e+00 
2.00 -1.835551025e+00 
2.02 -2.029729312e+00 
2.04 -2.207166686e+00 
2.06 -2.368585492e+00 
2.08 -2.514910466e+00 
2.10 -2.647053210e+00 
2.12 -2.765983403e+00 
2.14 -2.872564893e+00 
2.16 -2.967463275e+00 
2.18 -3.051204198e+00 
2.20 -3.124201455e+00 
2.22 -3.186741461e+00 
2.24 -3.239043166e+00 
2.26 -3.281294260e+00 
2.28 -3.313658500e+00 
2.30 -3.336289096e+00 
2.32 -3.349749992e+00 
2.34 -3.356004532e+00 
2.36 -3.355820743e+00 
2.38 -3.349720340e+00 
2.40 -3.338188488e+00 
2.42 -3.321615907e+00 
2.44 -3.300384116e+00 
2.46 -3.274925404e+00 
2.48 -3.245707908e+00 
2.50 -3.213217887e+00 
2.52 -3.177892692e+00 
2.54 -3.140105105e+00 
2.56 -3.100227846e+00 
2.58 -3.058558770e+00 
2.60 -3.015369014e+00 
2.62 -2.970932458e+00 
2.64 -2.925538952e+00 
2.66 -2.879430129e+00 
2.68 -2.832700450e+00 
2.70 -2.785417178e+00 
2.72 -2.737635730e+00 
2.74 -2.689450764e+00 
2.76 -2.640969097e+00 
2.78 -2.592276533e+00 
2.80 -2.543450799e+00 
2.82 -2.494570451e+00 
2.84 -2.445718287e+00 
2.86 -2.396983190e+00 
2.88 -2.348461162e+00 
2.90 -2.300260077e+00 
2.92 -2.252607622e+00 
2.94 -2.205610727e+00 
2.96 -2.158938315e+00 
2.98 -2.112525641e+00 
3.00 -2.066402128e+00 
3.02 -2.020598510e+00 
3.04 -1.975148519e+00 
3.06 -1.930086330e+00 
3.08 -1.885442650e+00 
3.10 -1.841239930e+00 
3.12 -1.797487891e+00 
3.14 -1.754181046e+00 
3.16 -1.711299944e+00 
3.18 -1.668816582e+00 
3.20 -1.626702739e+00 
3.22 -1.584938467e+00 
3.24 -1.543518074e+00 
3.26 -1.502452040e+00 
3.28 -1.461765255e+00 
3.30 -1.421489069e+00 
3.32 -1.381654840e+00 
3.34 -1.342294897e+00 
3.36 -1.303439341e+00 
3.38 -1.265113130e+00 
3.40 -1.227334991e+00 
3.42 -1.190120924e+00 
3.44 -1.153485941e+00 
3.46 -1.117444055e+00 
3.48 -1.082008094e+00 
3.50 -1.047189747e+00 
3.52 -1.012999425e+00 
3.54 -9.794462757e-01 
3.56 -9.465381308e-01 
3.58 -9.142814937e-01 
3.60 -8.826815696e-01 
3.62 -8.517434578e-01 
3.64 -8.214723106e-01 
3.66 -7.918720579e-01 
3.68 -7.629453485e-01 
3.70 -7.346935879e-01 
3.72 -7.071169852e-01 
3.74 -6.802145790e-01 
3.76 -6.539843110e-01 
3.78 -6.284230927e-01 
3.80 -6.035268406e-01 
3.82 -5.792904778e-01 
3.84 -5.557080475e-01 
3.86 -5.327727851e-01 
3.88 -5.104771901e-01 
3.90 -4.888130539e-01 
3.92 -4.677715476e-01 
3.94 -4.473433425e-01 
3.96 -4.275186187e-01 
3.98 -4.082871729e-01 
4.00 -3.896384690e-01 
4.02 -3.715617114e-01 
4.04 -3.540459834e-01 
4.06 -3.370802655e-01 
4.08 -3.206536283e-01 
4.10 -3.047552795e-01 
4.12 -2.893747089e-01 
4.14 -2.745019315e-01 
4.16 -2.601273831e-01 
4.18 -2.462424859e-01 
4.20 -2.328394054e-01 
4.22 -2.199114309e-01 
4.24 -2.074534414e-01 
4.26 -1.954628900e-01 
4.28 -1.839398176e-01 
4.30 -1.728857826e-01 
4.32 -1.623029717e-01 
4.34 -1.521937747e-01 
4.36 -1.425607053e-01 
4.38 -1.334052227e-01 
4.40 -1.247250697e-01 
4.42 -1.165170030e-01 
4.44 -1.087749542e-01 
4.46 -1.014885919e-01 
4.48 -9.464306994e-02 
4.50 -8.821743865e-02 
4.52 -8.218880873e-02 
4.54 -7.653136263e-02 
4.56 -7.122687259e-02 
4.58 -6.625945172e-02 
4.60 -6.161722336e-02 
4.62 -5.728771802e-02 
4.64 -5.326003000e-02 
4.66 -4.952683880e-02 
4.68 -4.608397817e-02 
4.70 -4.292992462e-02 
4.72 -4.006529032e-02 
4.74 -3.749359101e-02 
4.76 -3.522121877e-02 
4.78 -3.325498604e-02 
4.80 -3.156655882e-02 
4.82 -2.997562827e-02 
4.84 -2.845607902e-02 
4.86 -2.700815180e-02 
4.88 -2.563200767e-02 
4.90 -2.432597730e-02 
4.92 -2.308264758e-02 
4.94 -2.189235056e-02 
4.96 -2.075922451e-02 
4.98 -1.968776211e-02 
5.00 -1.868241259e-02 
5.02 -1.774750503e-02 
5.04 -1.688706644e-02 
5.06 -1.610454346e-02 
5.08 -1.540245271e-02 
5.10 -1.478200063e-02 
5.12 -1.424272593e-02 
5.14 -1.378222106e-02 
5.16 -1.339598188e-02 
5.18 -1.307741611e-02 
5.20 -1.281867230e-02 
5.22 -1.261375235e-02 
5.24 -1.245660852e-02 
5.26 -1.234047928e-02 
5.28 -1.225834957e-02 
5.30 -1.220336112e-02 
5.32 -1.216914143e-02 
5.34 -1.215003756e-02 
5.36 -1.214125504e-02 
5.38 -1.213891328e-02 
5.40 -1.214003487e-02 
5.42 -1.214248783e-02 
5.44 -1.214489902e-02 
5.46 -1.214655338e-02 
5.48 -1.214729048e-02 
5.50 -1.214740566e-02 
5.52 -1.214740552e-02 
5.54 -1.214740552e-02 
5.56 -1.214740552e-02 
5.58 -1.214740552e-02 
5.60 -1.214740552e-02 
5.62 -1.214740552e-02 
5.64 -1.214740552e-02 
5.66 -1.214740552e-02 
5.68 -1.214740552e-02 
5.70 -1.214740552e-02 
5.72 -1.214740552e-02 
5.74 -1.214740552e-02 
5.76 -1.214740552e-02 
5.78 -1.214740552e-02 
5.80 -1.214740552e-02 
5.82 -1.214740552e-02 
5.84 -1.214740552e-02 
5.86 -1.214740552e-02 
5.88 -1.214740552e-02 
5.90 -1.214740552e-02 
5.92 -1.214740552e-02 
5.94 -1.214740552e-02 
5.96 -1.214740552e-02 
5.98 -1.214740552e-02 
6.00 -1.214740552e-02