# 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--ipr1
# composition = Al2Co
# 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  2.675333519e+04 
0.98  2.420282816e+04 
1.00  2.185345536e+04 
1.02  1.969720082e+04 
1.04  1.772049664e+04 
1.06  1.590358956e+04 
1.08  1.422290936e+04 
1.10  1.266234132e+04 
1.12  1.120899011e+04 
1.14  9.858011450e+03 
1.16  8.603764770e+03 
1.18  7.439897037e+03 
1.20  6.360004091e+03 
1.22  5.353072272e+03 
1.24  4.408755207e+03 
1.26  3.519346315e+03 
1.28  2.682915833e+03 
1.30  1.947738329e+03 
1.32  1.519012533e+03 
1.34  1.296380963e+03 
1.36  1.170572507e+03 
1.38  1.071038185e+03 
1.40  9.774560915e+02 
1.42  8.897896951e+02 
1.44  8.080271555e+02 
1.46  7.320801102e+02 
1.48  6.617903314e+02 
1.50  5.970211739e+02 
1.52  5.374747599e+02 
1.54  4.828270091e+02 
1.56  4.327571854e+02 
1.58  3.869611079e+02 
1.60  3.451526296e+02 
1.62  3.070658492e+02 
1.64  2.724330597e+02 
1.66  2.409859330e+02 
1.68  2.124622217e+02 
1.70  1.866146394e+02 
1.72  1.632172674e+02 
1.74  1.420722710e+02 
1.76  1.230080780e+02 
1.78  1.058766071e+02 
1.80  9.054254678e+01 
1.82  7.688125132e+01 
1.84  6.477188501e+01 
1.86  5.409329329e+01 
1.88  4.472749467e+01 
1.90  3.655984791e+01 
1.92  2.948149666e+01 
1.94  2.338922513e+01 
1.96  1.818551924e+01 
1.98  1.377882683e+01 
2.00  1.008322179e+01 
2.02  7.017882482e+00 
2.04  4.506972059e+00 
2.06  2.479919498e+00 
2.08  8.710574203e-01 
2.10 -3.810658544e-01 
2.12 -1.333845037e+00 
2.14 -2.041511635e+00 
2.16 -2.554201567e+00 
2.18 -2.917352838e+00 
2.20 -3.170246108e+00 
2.22 -3.345797789e+00 
2.24 -3.470470168e+00 
2.26 -3.563102500e+00 
2.28 -3.636432582e+00 
2.30 -3.697511254e+00 
2.32 -3.748664611e+00 
2.34 -3.790187600e+00 
2.36 -3.822556515e+00 
2.38 -3.846497117e+00 
2.40 -3.862789813e+00 
2.42 -3.871960670e+00 
2.44 -3.874286495e+00 
2.46 -3.869844338e+00 
2.48 -3.858810823e+00 
2.50 -3.841467948e+00 
2.52 -3.818121697e+00 
2.54 -3.789010229e+00 
2.56 -3.754412336e+00 
2.58 -3.714580286e+00 
2.60 -3.669826852e+00 
2.62 -3.620511533e+00 
2.64 -3.566946405e+00 
2.66 -3.509420334e+00 
2.68 -3.448223394e+00 
2.70 -3.383655551e+00 
2.72 -3.316046969e+00 
2.74 -3.245776485e+00 
2.76 -3.173259714e+00 
2.78 -3.099004433e+00 
2.80 -3.023549738e+00 
2.82 -2.947454343e+00 
2.84 -2.871301146e+00 
2.86 -2.795678971e+00 
2.88 -2.721155174e+00 
2.90 -2.648289122e+00 
2.92 -2.577587240e+00 
2.94 -2.509455318e+00 
2.96 -2.444198651e+00 
2.98 -2.382032511e+00 
3.00 -2.323092626e+00 
3.02 -2.267439002e+00 
3.04 -2.215055132e+00 
3.06 -2.165800201e+00 
3.08 -2.119314103e+00 
3.10 -2.075222681e+00 
3.12 -2.033186765e+00 
3.14 -1.992896422e+00 
3.16 -1.954069370e+00 
3.18 -1.916459342e+00 
3.20 -1.879836375e+00 
3.22 -1.843922626e+00 
3.24 -1.808364386e+00 
3.26 -1.772772276e+00 
3.28 -1.736725378e+00 
3.30 -1.699610361e+00 
3.32 -1.661244650e+00 
3.34 -1.620762873e+00 
3.36 -1.577859686e+00 
3.38 -1.533618538e+00 
3.40 -1.490996251e+00 
3.42 -1.452226071e+00 
3.44 -1.416981572e+00 
3.46 -1.384042112e+00 
3.48 -1.352385414e+00 
3.50 -1.322037911e+00 
3.52 -1.296376546e+00 
3.54 -1.278361653e+00 
3.56 -1.265474756e+00 
3.58 -1.255200833e+00 
3.60 -1.246372254e+00 
3.62 -1.238447702e+00 
3.64 -1.231152489e+00 
3.66 -1.224331672e+00 
3.68 -1.217883191e+00 
3.70 -1.211726878e+00 
3.72 -1.205802649e+00 
3.74 -1.200065187e+00 
3.76 -1.194472549e+00 
3.78 -1.188986253e+00 
3.80 -1.183571685e+00 
3.82 -1.178197988e+00 
3.84 -1.172837404e+00 
3.86 -1.167468913e+00 
3.88 -1.162064972e+00 
3.90 -1.156624899e+00 
3.92 -1.151139987e+00 
3.94 -1.145601167e+00 
3.96 -1.139998980e+00 
3.98 -1.134323554e+00 
4.00 -1.128564593e+00 
4.02 -1.122711369e+00 
4.04 -1.116752717e+00 
4.06 -1.110677099e+00 
4.08 -1.104477996e+00 
4.10 -1.098158067e+00 
4.12 -1.091720508e+00 
4.14 -1.085168077e+00 
4.16 -1.078503088e+00 
4.18 -1.071727410e+00 
4.20 -1.064842461e+00 
4.22 -1.057849202e+00 
4.24 -1.050748122e+00 
4.26 -1.043539235e+00 
4.28 -1.036221683e+00 
4.30 -1.028792665e+00 
4.32 -1.021248572e+00 
4.34 -1.013585530e+00 
4.36 -1.005804045e+00 
4.38 -9.979091980e-01 
4.40 -9.899059884e-01 
4.42 -9.817991026e-01 
4.44 -9.735929024e-01 
4.46 -9.652914122e-01 
4.48 -9.568983069e-01 
4.50 -9.484169037e-01 
4.52 -9.398487367e-01 
4.54 -9.311855579e-01 
4.56 -9.224149037e-01 
4.58 -9.135239117e-01 
4.60 -9.044993336e-01 
4.62 -8.953275358e-01 
4.64 -8.859945092e-01 
4.66 -8.764858778e-01 
4.68 -8.667869218e-01 
4.70 -8.568826043e-01 
4.72 -8.467576141e-01 
4.74 -8.363964183e-01 
4.76 -8.257833394e-01 
4.78 -8.149026554e-01 
4.80 -8.037387304e-01 
4.82 -7.922761869e-01 
4.84 -7.805001258e-01 
4.86 -7.683964098e-01 
4.88 -7.559520156e-01 
4.90 -7.431554602e-01 
4.92 -7.299973173e-01 
4.94 -7.164707969e-01 
4.96 -7.025723790e-01 
4.98 -6.883024458e-01 
5.00 -6.736658366e-01 
5.02 -6.586721421e-01 
5.04 -6.433355328e-01 
5.06 -6.276747090e-01 
5.08 -6.117121861e-01 
5.10 -5.954730656e-01 
5.12 -5.789834987e-01 
5.14 -5.622691029e-01 
5.16 -5.453536488e-01 
5.18 -5.282582933e-01 
5.20 -5.110015479e-01 
5.22 -4.935999570e-01 
5.24 -4.760693328e-01 
5.26 -4.584262578e-01 
5.28 -4.406895703e-01 
5.30 -4.228816007e-01 
5.32 -4.050290036e-01 
5.34 -3.871631451e-01 
5.36 -3.693200568e-01 
5.38 -3.515400550e-01 
5.40 -3.338670658e-01 
5.42 -3.163477348e-01 
5.44 -2.990303859e-01 
5.46 -2.819641047e-01 
5.48 -2.651991869e-01 
5.50 -2.487853583e-01 
5.52 -2.327702347e-01 
5.54 -2.171987145e-01 
5.56 -2.021123720e-01 
5.58 -1.875489285e-01 
5.60 -1.735418606e-01 
5.62 -1.601199639e-01 
5.64 -1.473070251e-01 
5.66 -1.351218041e-01 
5.68 -1.235777612e-01 
5.70 -1.126829106e-01 
5.72 -1.024403302e-01 
5.74 -9.284756528e-02 
5.76 -8.389819798e-02 
5.78 -7.558285541e-02 
5.80 -6.788976314e-02 
5.82 -6.079306761e-02 
5.84 -5.426252075e-02 
5.86 -4.827235844e-02 
5.88 -4.281552115e-02 
5.90 -3.788198586e-02 
5.92 -3.345303372e-02 
5.94 -2.949531770e-02 
5.96 -2.597899579e-02 
5.98 -2.287511904e-02 
6.00 -2.015334312e-02