# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe-Cr-H
# implementation = 2022--Starikov-S--Fe-Cr-H--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  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  9.721948994e+02 
0.98  9.358728313e+02 
1.00  9.004111705e+02 
1.02  8.659294051e+02 
1.04  8.325842735e+02 
1.06  8.004080718e+02 
1.08  7.696687336e+02 
1.10  7.407090806e+02 
1.12  7.136898586e+02 
1.14  6.888001759e+02 
1.16  6.661889826e+02 
1.18  6.460197435e+02 
1.20  6.282188015e+02 
1.22  6.125673756e+02 
1.24  5.989721571e+02 
1.26  5.873145026e+02 
1.28  5.774420038e+02 
1.30  5.692181844e+02 
1.32  5.624176466e+02 
1.34  5.568164088e+02 
1.36  5.522505951e+02 
1.38  5.486617083e+02 
1.40  5.459386778e+02 
1.42  5.438192850e+02 
1.44  5.420415403e+02 
1.46  5.404583672e+02 
1.48  5.190201252e+02 
1.50  4.992533319e+02 
1.52  4.340673830e+02 
1.54  3.830975703e+02 
1.56  3.419662109e+02 
1.58  3.064710984e+02 
1.60  2.735501489e+02 
1.62  2.408687618e+02 
1.64  2.084473045e+02 
1.66  1.770031741e+02 
1.68  1.478196971e+02 
1.70  1.223372586e+02 
1.72  1.006053090e+02 
1.74  8.186167493e+01 
1.76  6.574773059e+01 
1.78  5.229744099e+01 
1.80  4.144473392e+01 
1.82  3.303538773e+01 
1.84  2.630034268e+01 
1.86  2.079011414e+01 
1.88  1.620316378e+01 
1.90  1.222453170e+01 
1.92  8.673356290e+00 
1.94  5.546493518e+00 
1.96  2.952220688e+00 
1.98  9.646200654e-01 
2.00 -3.976316500e-01 
2.02 -1.233728116e+00 
2.04 -1.739791492e+00 
2.06 -2.028237169e+00 
2.08 -2.329120423e+00 
2.10 -2.540083613e+00 
2.12 -2.659893614e+00 
2.14 -2.738214336e+00 
2.16 -2.822101402e+00 
2.18 -2.936167675e+00 
2.20 -3.049952866e+00 
2.22 -3.136304993e+00 
2.24 -3.196817815e+00 
2.26 -3.250473218e+00 
2.28 -3.294569280e+00 
2.30 -3.317532620e+00 
2.32 -3.331123690e+00 
2.34 -3.349004929e+00 
2.36 -3.373854059e+00 
2.38 -3.402369261e+00 
2.40 -3.428556491e+00 
2.42 -3.448888753e+00 
2.44 -3.460094453e+00 
2.46 -3.457720712e+00 
2.48 -3.443061101e+00 
2.50 -3.424590302e+00 
2.52 -3.405581772e+00 
2.54 -3.387225658e+00 
2.56 -3.369188564e+00 
2.58 -3.350079836e+00 
2.60 -3.327178649e+00 
2.62 -3.297130644e+00 
2.64 -3.255941234e+00 
2.66 -3.199511443e+00 
2.68 -3.124283778e+00 
2.70 -3.031647616e+00 
2.72 -2.926881009e+00 
2.74 -2.821276705e+00 
2.76 -2.718661797e+00 
2.78 -2.640034135e+00 
2.80 -2.587335804e+00 
2.82 -2.557065213e+00 
2.84 -2.540180199e+00 
2.86 -2.521265640e+00 
2.88 -2.503742119e+00 
2.90 -2.482919188e+00 
2.92 -2.456501832e+00 
2.94 -2.423450911e+00 
2.96 -2.382429077e+00 
2.98 -2.331973017e+00 
3.00 -2.270774726e+00 
3.02 -2.199994652e+00 
3.04 -2.124252241e+00 
3.06 -2.035830736e+00 
3.08 -1.934638693e+00 
3.10 -1.827915202e+00 
3.12 -1.720003662e+00 
3.14 -1.613045345e+00 
3.16 -1.508351011e+00 
3.18 -1.407326477e+00 
3.20 -1.311433973e+00 
3.22 -1.222131321e+00 
3.24 -1.128478805e+00 
3.26 -1.038184718e+00 
3.28 -9.574686939e-01 
3.30 -8.851962732e-01 
3.32 -8.202333310e-01 
3.34 -7.614911684e-01 
3.36 -7.079297504e-01 
3.38 -6.585662161e-01 
3.40 -6.124438883e-01 
3.42 -5.680280644e-01 
3.44 -5.238304191e-01 
3.46 -4.793828053e-01 
3.48 -4.343563108e-01 
3.50 -3.886472352e-01 
3.52 -3.426907571e-01 
3.54 -2.970304307e-01 
3.56 -2.522559191e-01 
3.58 -2.090097602e-01 
3.60 -1.679853386e-01 
3.62 -1.299117000e-01 
3.64 -9.548097102e-02 
3.66 -6.534876824e-02 
3.68 -4.019427378e-02 
3.70 -2.064750583e-02 
3.72 -7.223143000e-03 
3.74 -2.704059871e-04 
3.76 -6.899059259e-05 
3.78 -6.675894699e-03 
3.80 -1.986909970e-02 
3.82 -3.681181912e-02 
3.84 -5.605089091e-02 
3.86 -7.710758876e-02 
3.88 -9.949881191e-02 
3.90 -1.227483407e-01 
3.92 -1.463752335e-01 
3.94 -1.699014973e-01 
3.96 -1.928685160e-01 
3.98 -2.148341130e-01 
4.00 -2.354474991e-01 
4.02 -2.544070521e-01 
4.04 -2.715228063e-01 
4.06 -2.867524271e-01 
4.08 -3.000670681e-01 
4.10 -3.114464125e-01 
4.12 -3.208784779e-01 
4.14 -3.283591595e-01 
4.16 -3.338919363e-01 
4.18 -3.374896766e-01 
4.20 -3.391906342e-01 
4.22 -3.390442110e-01 
4.24 -3.371002550e-01 
4.26 -3.333851224e-01 
4.28 -3.277648444e-01 
4.30 -3.200663315e-01 
4.32 -3.105418269e-01 
4.34 -2.996988739e-01 
4.36 -2.879620288e-01 
4.38 -2.757072076e-01 
4.40 -2.633136439e-01 
4.42 -2.511639812e-01 
4.44 -2.396239133e-01 
4.46 -2.290559740e-01 
4.48 -2.198333712e-01 
4.50 -2.123397666e-01 
4.52 -2.069673481e-01 
4.54 -2.041347533e-01 
4.56 -2.043842953e-01 
4.58 -2.080892075e-01 
4.60 -2.151075421e-01 
4.62 -2.252152537e-01 
4.64 -2.381819672e-01 
4.66 -2.536928451e-01 
4.68 -2.712101817e-01 
4.70 -2.901621391e-01 
4.72 -3.099788954e-01 
4.74 -3.300936483e-01 
4.76 -3.499434316e-01 
4.78 -3.689689562e-01 
4.80 -3.866142246e-01 
4.82 -4.023081068e-01 
4.84 -4.154137675e-01 
4.86 -4.255787095e-01 
4.88 -4.326447740e-01 
4.90 -4.364535285e-01 
4.92 -4.368347610e-01 
4.94 -4.336097121e-01 
4.96 -4.266144404e-01 
4.98 -4.160172738e-01 
5.00 -4.023006789e-01 
5.02 -3.859617206e-01 
5.04 -3.675004180e-01 
5.06 -3.474197707e-01 
5.08 -3.262259876e-01 
5.10 -3.044526501e-01 
5.12 -2.826434478e-01 
5.14 -2.611301200e-01 
5.16 -2.402215227e-01 
5.18 -2.202377669e-01 
5.20 -2.014986836e-01 
5.22 -1.843232456e-01 
5.24 -1.690298939e-01 
5.26 -1.559364901e-01 
5.28 -1.452841837e-01 
5.30 -1.369436984e-01 
5.32 -1.306729641e-01 
5.34 -1.262292746e-01 
5.36 -1.233696250e-01 
5.38 -1.219938150e-01 
5.40 -1.223049796e-01 
5.42 -1.240221273e-01 
5.44 -1.268270053e-01 
5.46 -1.304013495e-01 
5.48 -1.344268204e-01 
5.50 -1.385849955e-01 
5.52 -1.425573633e-01 
5.54 -1.460252283e-01 
5.56 -1.486697425e-01 
5.58 -1.501735216e-01 
5.60 -1.503098960e-01 
5.62 -1.489881930e-01 
5.64 -1.461289219e-01 
5.66 -1.417080319e-01 
5.68 -1.358841704e-01 
5.70 -1.288537191e-01 
5.72 -1.208133068e-01 
5.74 -1.119598203e-01 
5.76 -1.024903346e-01 
5.78 -9.260208747e-02 
5.80 -8.249247216e-02 
5.82 -7.235870785e-02 
5.84 -6.239805727e-02 
5.86 -5.280742332e-02 
5.88 -4.378317149e-02 
5.90 -3.551981543e-02 
5.92 -2.819990051e-02 
5.94 -2.193852816e-02 
5.96 -1.667732884e-02 
5.98 -1.232778533e-02 
6.00 -8.801919921e-03