# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2009--Stukowski-A-Sadigh-B-Erhart-P-Caro-A--Fe-Cr
# implementation = 2009--Stukowski-A--Fe-Cr--LAMMPS--ipr1
# composition = Cr2Fe
# 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  3.973968683e+02 
0.90  3.608689676e+02 
0.92  3.281196873e+02 
0.94  2.986812356e+02 
0.96  2.722248709e+02 
0.98  2.484990439e+02 
1.00  2.272286117e+02 
1.02  2.080410547e+02 
1.04  1.906275295e+02 
1.06  1.747758717e+02 
1.08  1.602809263e+02 
1.10  1.470296634e+02 
1.12  1.349218901e+02 
1.14  1.238544297e+02 
1.16  1.137159079e+02 
1.18  1.043789007e+02 
1.20  9.573145779e+01 
1.22  8.769821157e+01 
1.24  8.022522286e+01 
1.26  7.328123456e+01 
1.28  6.685555178e+01 
1.30  6.091249918e+01 
1.32  5.542058086e+01 
1.34  5.034906519e+01 
1.36  4.567156948e+01 
1.38  4.135977299e+01 
1.40  3.738722106e+01 
1.42  3.372922919e+01 
1.44  3.036442643e+01 
1.46  2.727273613e+01 
1.48  2.443263927e+01 
1.50  2.182208810e+01 
1.52  1.942159825e+01 
1.54  1.721434874e+01 
1.56  1.518629874e+01 
1.58  1.332347324e+01 
1.60  1.161149900e+01 
1.62  1.004018940e+01 
1.64  8.601939742e+00 
1.66  7.289122835e+00 
1.68  6.093896460e+00 
1.70  5.008467276e+00 
1.72  4.025494347e+00 
1.74  3.138397541e+00 
1.76  2.343129706e+00 
1.78  1.635448513e+00 
1.80  1.008640946e+00 
1.82  4.557385953e-01 
1.84 -3.010082219e-02 
1.86 -4.558201456e-01 
1.88 -8.276538662e-01 
1.90 -1.149283145e+00 
1.92 -1.436663589e+00 
1.94 -1.694911262e+00 
1.96 -1.908599920e+00 
1.98 -2.087238429e+00 
2.00 -2.230423971e+00 
2.02 -2.347864509e+00 
2.04 -2.447727085e+00 
2.06 -2.532503517e+00 
2.08 -2.604397679e+00 
2.10 -2.665655451e+00 
2.12 -2.718584562e+00 
2.14 -2.764603484e+00 
2.16 -2.804461668e+00 
2.18 -2.838855025e+00 
2.20 -2.868381158e+00 
2.22 -2.893622747e+00 
2.24 -2.915778041e+00 
2.26 -2.936024018e+00 
2.28 -2.955282115e+00 
2.30 -2.974414494e+00 
2.32 -2.993956838e+00 
2.34 -3.013606747e+00 
2.36 -3.032495721e+00 
2.38 -3.049251222e+00 
2.40 -3.061941990e+00 
2.42 -3.068598349e+00 
2.44 -3.069092171e+00 
2.46 -3.063566577e+00 
2.48 -3.051841645e+00 
2.50 -3.033834687e+00 
2.52 -3.010001583e+00 
2.54 -2.981172189e+00 
2.56 -2.948286733e+00 
2.58 -2.912298009e+00 
2.60 -2.874147548e+00 
2.62 -2.834713597e+00 
2.64 -2.794584117e+00 
2.66 -2.753833530e+00 
2.68 -2.712307474e+00 
2.70 -2.669851272e+00 
2.72 -2.626330905e+00 
2.74 -2.581679657e+00 
2.76 -2.535852030e+00 
2.78 -2.488801573e+00 
2.80 -2.440490675e+00 
2.82 -2.390874731e+00 
2.84 -2.339879101e+00 
2.86 -2.287422570e+00 
2.88 -2.233438881e+00 
2.90 -2.178041129e+00 
2.92 -2.121459803e+00 
2.94 -2.063931624e+00 
2.96 -2.005694891e+00 
2.98 -1.946986743e+00 
3.00 -1.888047587e+00 
3.02 -1.829139021e+00 
3.04 -1.770604981e+00 
3.06 -1.712676536e+00 
3.08 -1.655438489e+00 
3.10 -1.598967633e+00 
3.12 -1.543343246e+00 
3.14 -1.488643328e+00 
3.16 -1.434947296e+00 
3.18 -1.382335126e+00 
3.20 -1.330887593e+00 
3.22 -1.280685952e+00 
3.24 -1.231811046e+00 
3.26 -1.184345503e+00 
3.28 -1.138374648e+00 
3.30 -1.093985490e+00 
3.32 -1.051240304e+00 
3.34 -1.010096939e+00 
3.36 -9.704864473e-01 
3.38 -9.323399437e-01 
3.40 -8.955864792e-01 
3.42 -8.601558298e-01 
3.44 -8.259761973e-01 
3.46 -7.929749643e-01 
3.48 -7.610780858e-01 
3.50 -7.302106637e-01 
3.52 -7.002963367e-01 
3.54 -6.712577174e-01 
3.56 -6.430148902e-01 
3.58 -6.154891018e-01 
3.60 -5.886107518e-01 
3.62 -5.623112098e-01 
3.64 -5.365167665e-01 
3.66 -5.111584233e-01 
3.68 -4.861868033e-01 
3.70 -4.615558064e-01 
3.72 -4.372312268e-01 
3.74 -4.132219194e-01 
3.76 -3.895491767e-01 
3.78 -3.662346353e-01 
3.80 -3.433040634e-01 
3.82 -3.207757611e-01 
3.84 -2.986676211e-01 
3.86 -2.770673458e-01 
3.88 -2.559017647e-01 
3.90 -2.351469380e-01 
3.92 -2.149166918e-01 
3.94 -1.953685462e-01 
3.96 -1.766663870e-01 
3.98 -1.589616553e-01 
4.00 -1.422822368e-01 
4.02 -1.271633908e-01 
4.04 -1.140380991e-01 
4.06 -9.894922690e-02 
4.08 -8.304073205e-02 
4.10 -7.001585852e-02 
4.12 -6.067115502e-02 
4.14 -5.443613684e-02 
4.16 -5.046572974e-02 
4.18 -4.797060697e-02 
4.20 -1.975695836e-02 
4.22 -4.514028482e-02 
4.24 -4.367546225e-02 
4.26 -4.230285588e-02 
4.28 -4.101904311e-02 
4.30 -3.982060134e-02 
4.32 -3.870410798e-02 
4.34 -3.766614043e-02 
4.36 -3.670327608e-02 
4.38 -3.581209234e-02 
4.40 -3.498916661e-02 
4.42 -3.423107629e-02 
4.44 -3.353439878e-02 
4.46 -3.289571149e-02 
4.48 -3.231159182e-02 
4.50 -3.177861716e-02 
4.52 -3.129336492e-02 
4.54 -3.085241250e-02 
4.56 -3.045233730e-02 
4.58 -3.008971672e-02 
4.60 -2.976112817e-02 
4.62 -2.946314905e-02 
4.64 -2.919235675e-02 
4.66 -2.894532868e-02 
4.68 -2.871864224e-02 
4.70 -2.850887482e-02 
4.72 -2.831309941e-02 
4.74 -2.813037071e-02 
4.76 -2.796023884e-02 
4.78 -2.780225391e-02 
4.80 -2.765596605e-02 
4.82 -2.752092536e-02 
4.84 -2.739668195e-02 
4.86 -2.728278593e-02 
4.88 -2.717878742e-02 
4.90 -2.708423654e-02 
4.92 -2.699868338e-02 
4.94 -2.692167807e-02 
4.96 -2.685277071e-02 
4.98 -2.679151142e-02 
5.00 -2.673745031e-02 
5.02 -2.669013749e-02 
5.04 -2.664912308e-02 
5.06 -2.661395718e-02 
5.08 -2.658418991e-02 
5.10 -2.655937138e-02 
5.12 -2.653905170e-02 
5.14 -2.652278098e-02 
5.16 -2.651010934e-02 
5.18 -2.650058689e-02 
5.20 -2.649376374e-02 
5.22 -2.648919001e-02 
5.24 -2.648641579e-02 
5.26 -2.648499122e-02 
5.28 -2.648446639e-02 
5.30 -2.648439142e-02 
5.32 -2.648439142e-02 
5.34 -2.648439142e-02 
5.36 -2.648439142e-02 
5.38 -2.648439142e-02 
5.40 -2.648439142e-02 
5.42 -2.648439142e-02 
5.44 -2.648439142e-02 
5.46 -2.648439142e-02 
5.48 -2.648439142e-02 
5.50 -2.648439142e-02 
5.52 -2.648439142e-02 
5.54 -2.648439142e-02 
5.56 -2.648439142e-02 
5.58 -2.648439142e-02 
5.60 -2.648439142e-02 
5.62 -2.648439142e-02 
5.64 -2.648439142e-02 
5.66 -2.648439142e-02 
5.68 -2.648439142e-02 
5.70 -2.648439142e-02 
5.72 -2.648439142e-02 
5.74 -2.648439142e-02 
5.76 -2.648439142e-02 
5.78 -2.648439142e-02 
5.80 -2.648439142e-02 
5.82 -2.648439142e-02 
5.84 -2.648439142e-02 
5.86 -2.648439142e-02 
5.88 -2.648439142e-02 
5.90 -2.648439142e-02 
5.92 -2.648439142e-02 
5.94 -2.648439142e-02 
5.96 -2.648439142e-02 
5.98 -2.648439142e-02 
6.00 -2.648439142e-02