# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni
# implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1
# composition = Co2Fe
# 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  5.592262573e+04 
1.02  4.404050475e+04 
1.04  3.483898721e+04 
1.06  2.767873597e+04 
1.08  2.208093466e+04 
1.10  1.768502647e+04 
1.12  1.421808137e+04 
1.14  1.147245421e+04 
1.16  9.289397092e+03 
1.18  7.546974494e+03 
1.20  6.151102549e+03 
1.22  5.028870661e+03 
1.24  4.123537714e+03 
1.26  3.390766029e+03 
1.28  2.795773286e+03 
1.30  2.311168249e+03 
1.32  1.915301054e+03 
1.34  1.590998895e+03 
1.36  1.324592479e+03 
1.38  1.105164907e+03 
1.40  9.239693756e+02 
1.42  7.739754795e+02 
1.44  6.495150683e+02 
1.46  5.460051555e+02 
1.48  4.597296518e+02 
1.50  3.876672574e+02 
1.52  3.273546539e+02 
1.54  2.767782372e+02 
1.56  2.342876109e+02 
1.58  1.985266145e+02 
1.60  1.683785310e+02 
1.62  1.429215340e+02 
1.64  1.213925926e+02 
1.66  1.031589229e+02 
1.68  8.769468109e+01 
1.70  7.456199279e+01 
1.72  6.339559231e+01 
1.74  5.389025904e+01 
1.76  4.579039757e+01 
1.78  3.888144739e+01 
1.80  3.298306806e+01 
1.82  2.794349346e+01 
1.84  2.363467672e+01 
1.86  1.994845757e+01 
1.88  1.679339916e+01 
1.90  1.409210986e+01 
1.92  1.177902030e+01 
1.94  9.798410406e+00 
1.96  8.102757348e+00 
1.98  6.651415260e+00 
2.00  5.409692285e+00 
2.02  4.347976068e+00 
2.04  3.440966701e+00 
2.06  2.666941681e+00 
2.08  2.007280011e+00 
2.10  1.446012144e+00 
2.12  9.694194493e-01 
2.14  5.657123353e-01 
2.16  2.247585700e-01 
2.18 -6.214639652e-02 
2.20 -3.024737130e-01 
2.22 -5.026529490e-01 
2.24 -6.683051609e-01 
2.26 -8.042945151e-01 
2.28 -9.148078376e-01 
2.30 -1.003448780e+00 
2.32 -1.073311968e+00 
2.34 -1.127046571e+00 
2.36 -1.166965564e+00 
2.38 -1.195139624e+00 
2.40 -1.213369801e+00 
2.42 -1.223215083e+00 
2.44 -1.226021990e+00 
2.46 -1.222949834e+00 
2.48 -1.214992252e+00 
2.50 -1.202995551e+00 
2.52 -1.187674302e+00 
2.54 -1.169624566e+00 
2.56 -1.149335175e+00 
2.58 -1.127217852e+00 
2.60 -1.103645548e+00 
2.62 -1.078924326e+00 
2.64 -1.053306470e+00 
2.66 -1.027038872e+00 
2.68 -1.000346254e+00 
2.70 -9.734197209e-01 
2.72 -9.464109784e-01 
2.74 -9.194386322e-01 
2.76 -8.926016793e-01 
2.78 -8.659822795e-01 
2.80 -8.396477503e-01 
2.82 -8.136522437e-01 
2.84 -7.880381423e-01 
2.86 -7.628372182e-01 
2.88 -7.380762005e-01 
2.90 -7.137877726e-01 
2.92 -6.900021114e-01 
2.94 -6.667452945e-01 
2.96 -6.440398416e-01 
2.98 -6.219051478e-01 
3.00 -6.003578223e-01 
3.02 -5.794119444e-01 
3.04 -5.590792475e-01 
3.06 -5.393692393e-01 
3.08 -5.202892662e-01 
3.10 -5.018445299e-01 
3.12 -4.840380602e-01 
3.14 -4.668706517e-01 
3.16 -4.503407144e-01 
3.18 -4.344407049e-01 
3.20 -4.191554757e-01 
3.22 -4.044679119e-01 
3.24 -3.903592414e-01 
3.26 -3.768087606e-01 
3.28 -3.637935455e-01 
3.30 -3.512881484e-01 
3.32 -3.392661823e-01 
3.34 -3.277062423e-01 
3.36 -3.165868854e-01 
3.38 -3.058846123e-01 
3.40 -2.955736068e-01 
3.42 -2.856254691e-01 
3.44 -2.760089439e-01 
3.46 -2.666911552e-01 
3.48 -2.576544486e-01 
3.50 -2.488926541e-01 
3.52 -2.404004358e-01 
3.54 -2.321730345e-01 
3.56 -2.242061994e-01 
3.58 -2.164961181e-01 
3.60 -2.090393443e-01 
3.62 -2.018327247e-01 
3.64 -1.948733243e-01 
3.66 -1.881583507e-01 
3.68 -1.816850775e-01 
3.70 -1.754507670e-01 
3.72 -1.694525922e-01 
3.74 -1.636875581e-01 
3.76 -1.581524232e-01 
3.78 -1.528436198e-01 
3.80 -1.477571749e-01 
3.82 -1.428886299e-01 
3.84 -1.382329614e-01 
3.86 -1.337845006e-01 
3.88 -1.295368536e-01 
3.90 -1.254828210e-01 
3.92 -1.216143184e-01 
3.94 -1.179222956e-01 
3.96 -1.143966570e-01 
3.98 -1.110261817e-01 
4.00 -1.077984436e-01 
4.02 -1.046997312e-01 
4.04 -1.017149687e-01 
4.06 -9.882947440e-02 
4.08 -9.603698418e-02 
4.10 -9.333420716e-02 
4.12 -9.071797627e-02 
4.14 -8.818524241e-02 
4.16 -8.573307014e-02 
4.18 -8.335863344e-02 
4.20 -8.105921167e-02 
4.22 -7.883218559e-02 
4.24 -7.667503357e-02 
4.26 -7.458532789e-02 
4.28 -7.256073118e-02 
4.30 -7.059899300e-02 
4.32 -6.869794648e-02 
4.34 -6.685550519e-02 
4.36 -6.506965998e-02 
4.38 -6.333847609e-02 
4.40 -6.166009023e-02 
4.42 -6.003270785e-02 
4.44 -5.845460052e-02 
4.46 -5.692410332e-02 
4.48 -5.543942322e-02 
4.50 -5.399810393e-02 
4.52 -5.259765902e-02 
4.54 -5.123576687e-02 
4.56 -4.991026498e-02 
4.58 -4.861914420e-02 
4.60 -4.736054311e-02 
4.62 -4.613274237e-02 
4.64 -4.493415922e-02 
4.66 -4.376334193e-02 
4.68 -4.261896436e-02 
4.70 -4.149982056e-02 
4.72 -4.040481936e-02 
4.74 -3.933297912e-02 
4.76 -3.828342237e-02 
4.78 -3.725537061e-02 
4.80 -3.624813912e-02 
4.82 -3.526113174e-02 
4.84 -3.429383579e-02 
4.86 -3.334581693e-02 
4.88 -3.241671414e-02 
4.90 -3.150623464e-02 
4.92 -3.061414893e-02 
4.94 -2.974028580e-02 
4.96 -2.888452735e-02 
4.98 -2.804680414e-02 
5.00 -2.722709026e-02 
5.02 -2.642539843e-02 
5.04 -2.564177524e-02 
5.06 -2.487629624e-02 
5.08 -2.412906121e-02 
5.10 -2.340018934e-02 
5.12 -2.268981452e-02 
5.14 -2.199808054e-02 
5.16 -2.132511448e-02 
5.18 -2.067055210e-02 
5.20 -2.003358759e-02 
5.22 -1.941347307e-02 
5.24 -1.880953385e-02 
5.26 -1.822116131e-02 
5.28 -1.764780575e-02 
5.30 -1.708896921e-02 
5.32 -1.654419837e-02 
5.34 -1.601307737e-02 
5.36 -1.549522069e-02 
5.38 -1.499026595e-02 
5.40 -1.449786683e-02 
5.42 -1.401768587e-02 
5.44 -1.354938736e-02 
5.46 -1.309263017e-02 
5.48 -1.264706060e-02 
5.50 -1.221230524e-02 
5.52 -1.178796384e-02 
5.54 -1.137360214e-02 
5.56 -1.096874471e-02 
5.58 -1.057286785e-02 
5.60 -1.018539238e-02 
5.62 -9.805676573e-03 
5.64 -9.433008916e-03 
5.66 -9.066601031e-03 
5.68 -8.705580498e-03 
5.70 -8.348983715e-03 
5.72 -7.995751266e-03 
5.74 -7.645190231e-03 
5.76 -7.297575304e-03 
5.78 -6.953327693e-03 
5.80 -6.612884905e-03 
5.82 -6.276697843e-03 
5.84 -5.945227908e-03 
5.86 -5.618944101e-03 
5.88 -5.298320120e-03 
5.90 -4.983831464e-03 
5.92 -4.675952531e-03 
5.94 -4.375153718e-03 
5.96 -4.081898526e-03 
5.98 -3.796640654e-03 
6.00 -3.519821105e-03