# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Al-Co
# implementation = 2015--Purja-Pun-G-P--Al-Co--LAMMPS--ipr2
# composition = AlCo2
# 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  4.134850475e+04 
1.00  3.713092597e+04 
1.02  3.324136795e+04 
1.04  2.964626224e+04 
1.06  2.631491804e+04 
1.08  2.322188145e+04 
1.10  2.035084811e+04 
1.12  1.769182276e+04 
1.14  1.523936976e+04 
1.16  1.298517563e+04 
1.18  1.091501089e+04 
1.20  9.010898345e+03 
1.22  7.249244336e+03 
1.24  5.605921717e+03 
1.26  4.064086446e+03 
1.28  2.655429989e+03 
1.30  1.806148658e+03 
1.32  1.410571856e+03 
1.34  1.244654695e+03 
1.36  1.144601764e+03 
1.38  1.050266353e+03 
1.40  9.607644365e+02 
1.42  8.764086878e+02 
1.44  7.973109389e+02 
1.46  7.234899065e+02 
1.48  6.549333430e+02 
1.50  5.915214195e+02 
1.52  5.330299408e+02 
1.54  4.791818054e+02 
1.56  4.296926921e+02 
1.58  3.842903431e+02 
1.60  3.427237613e+02 
1.62  3.047557038e+02 
1.64  2.701509055e+02 
1.66  2.386728605e+02 
1.68  2.100902262e+02 
1.70  1.841823237e+02 
1.72  1.607434390e+02 
1.74  1.395867689e+02 
1.76  1.205456273e+02 
1.78  1.034686384e+02 
1.80  8.821475694e+01 
1.82  7.465148645e+01 
1.84  6.265108761e+01 
1.86  5.208798549e+01 
1.88  4.284021546e+01 
1.90  3.479062463e+01 
1.92  2.782786928e+01 
1.94  2.184687588e+01 
1.96  1.674881939e+01 
1.98  1.244108267e+01 
2.00  8.837118448e+00 
2.02  5.855958594e+00 
2.04  3.421912271e+00 
2.06  1.464469891e+00 
2.08 -8.179785209e-02 
2.10 -1.277943295e+00 
2.12 -2.181860167e+00 
2.14 -2.847031431e+00 
2.16 -3.321934505e+00 
2.18 -3.648908170e+00 
2.20 -3.863769492e+00 
2.22 -3.997171302e+00 
2.24 -4.074584822e+00 
2.26 -4.116235299e+00 
2.28 -4.137254683e+00 
2.30 -4.147164683e+00 
2.32 -4.149943511e+00 
2.34 -4.146620740e+00 
2.36 -4.137714015e+00 
2.38 -4.123575840e+00 
2.40 -4.104473573e+00 
2.42 -4.080614609e+00 
2.44 -4.052145468e+00 
2.46 -4.019158841e+00 
2.48 -3.981771275e+00 
2.50 -3.940161048e+00 
2.52 -3.894526838e+00 
2.54 -3.845041967e+00 
2.56 -3.791863125e+00 
2.58 -3.735122704e+00 
2.60 -3.674961718e+00 
2.62 -3.611529962e+00 
2.64 -3.544982985e+00 
2.66 -3.475481193e+00 
2.68 -3.403200504e+00 
2.70 -3.328344041e+00 
2.72 -3.251158684e+00 
2.74 -3.171953069e+00 
2.76 -3.091115827e+00 
2.78 -3.009114569e+00 
2.80 -2.926489091e+00 
2.82 -2.843832297e+00 
2.84 -2.761768909e+00 
2.86 -2.680937922e+00 
2.88 -2.601957834e+00 
2.90 -2.525418158e+00 
2.92 -2.451838553e+00 
2.94 -2.381612721e+00 
2.96 -2.314928985e+00 
2.98 -2.251850136e+00 
3.00 -2.192351129e+00 
3.02 -2.136316633e+00 
3.04 -2.083547086e+00 
3.06 -2.033771153e+00 
3.08 -1.986661234e+00 
3.10 -1.941850774e+00 
3.12 -1.898941521e+00 
3.14 -1.857507781e+00 
3.16 -1.817100509e+00 
3.18 -1.777250828e+00 
3.20 -1.737469989e+00 
3.22 -1.697232331e+00 
3.24 -1.655990081e+00 
3.26 -1.613194127e+00 
3.28 -1.568316808e+00 
3.30 -1.520909358e+00 
3.32 -1.470834326e+00 
3.34 -1.418768229e+00 
3.36 -1.366614520e+00 
3.38 -1.316901425e+00 
3.40 -1.271282547e+00 
3.42 -1.229856317e+00 
3.44 -1.191840013e+00 
3.46 -1.156428792e+00 
3.48 -1.122955252e+00 
3.50 -1.090954550e+00 
3.52 -1.060441520e+00 
3.54 -1.032449808e+00 
3.56 -1.009085357e+00 
3.58 -9.916151770e-01 
3.60 -9.791513313e-01 
3.62 -9.700584642e-01 
3.64 -9.630810488e-01 
3.66 -9.574396045e-01 
3.68 -9.526669356e-01 
3.70 -9.484754964e-01 
3.72 -9.446823469e-01 
3.74 -9.411670249e-01 
3.76 -9.378469759e-01 
3.78 -9.346629817e-01 
3.80 -9.315704975e-01 
3.82 -9.285345348e-01 
3.84 -9.255266560e-01 
3.86 -9.225233982e-01 
3.88 -9.195090337e-01 
3.90 -9.164745728e-01 
3.92 -9.134137119e-01 
3.94 -9.103232705e-01 
3.96 -9.072016254e-01 
3.98 -9.040449803e-01 
4.00 -9.008457504e-01 
4.02 -8.976046781e-01 
4.04 -8.943198292e-01 
4.06 -8.909895405e-01 
4.08 -8.876123751e-01 
4.10 -8.841870647e-01 
4.12 -8.807124609e-01 
4.14 -8.771874901e-01 
4.16 -8.736111141e-01 
4.18 -8.699822953e-01 
4.20 -8.662999615e-01 
4.22 -8.625629775e-01 
4.24 -8.587701115e-01 
4.26 -8.549200073e-01 
4.28 -8.510106909e-01 
4.30 -8.470382010e-01 
4.32 -8.429979711e-01 
4.34 -8.388852621e-01 
4.36 -8.346951437e-01 
4.38 -8.304224729e-01 
4.40 -8.260618747e-01 
4.42 -8.216077250e-01 
4.44 -8.170541310e-01 
4.46 -8.123949124e-01 
4.48 -8.076235872e-01 
4.50 -8.027333547e-01 
4.52 -7.977170824e-01 
4.54 -7.925672926e-01 
4.56 -7.872761542e-01 
4.58 -7.818354736e-01 
4.60 -7.762366917e-01 
4.62 -7.704708813e-01 
4.64 -7.645287507e-01 
4.66 -7.584006508e-01 
4.68 -7.520765865e-01 
4.70 -7.455462349e-01 
4.72 -7.387989706e-01 
4.74 -7.318238929e-01 
4.76 -7.246098675e-01 
4.78 -7.171455727e-01 
4.80 -7.094195547e-01 
4.82 -7.014202934e-01 
4.84 -6.931362811e-01 
4.86 -6.845561083e-01 
4.88 -6.756685678e-01 
4.90 -6.664627630e-01 
4.92 -6.569282416e-01 
4.94 -6.470551313e-01 
4.96 -6.368342955e-01 
4.98 -6.262575038e-01 
5.00 -6.153176120e-01 
5.02 -6.040086749e-01 
5.04 -5.923259258e-01 
5.06 -5.802662910e-01 
5.08 -5.678286882e-01 
5.10 -5.550142985e-01 
5.12 -5.418267214e-01 
5.14 -5.282721843e-01 
5.16 -5.143600445e-01 
5.18 -5.001027893e-01 
5.20 -4.855155776e-01 
5.22 -4.706169997e-01 
5.24 -4.554298276e-01 
5.26 -4.399812798e-01 
5.28 -4.243015331e-01 
5.30 -4.084236858e-01 
5.32 -3.923819392e-01 
5.34 -3.762156006e-01 
5.36 -3.599667360e-01 
5.38 -3.436803773e-01 
5.40 -3.274072179e-01 
5.42 -3.111999124e-01 
5.44 -2.951088611e-01 
5.46 -2.791864254e-01 
5.48 -2.634857541e-01 
5.50 -2.480574554e-01 
5.52 -2.329431198e-01 
5.54 -2.181810325e-01 
5.56 -2.038125463e-01 
5.58 -1.898758792e-01 
5.60 -1.763977891e-01 
5.62 -1.634008724e-01 
5.64 -1.509309856e-01 
5.66 -1.390521337e-01 
5.68 -1.278060880e-01 
5.70 -1.172166099e-01 
5.72 -1.073388605e-01 
5.74 -9.819726249e-02 
5.76 -8.967737033e-02 
5.78 -8.162592866e-02 
5.80 -7.396808474e-02 
5.82 -6.661878440e-02 
5.84 -5.948378651e-02 
5.86 -5.252915103e-02 
5.88 -4.588573639e-02 
5.90 -3.969546127e-02 
5.92 -3.404497364e-02 
5.94 -2.888460890e-02 
5.96 -2.424846433e-02 
5.98 -2.016710511e-02 
6.00 -1.663311779e-02