# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Al-Cr
# implementation = 2024--Mendelev-M-I--Ni-Al-Cr--LAMMPS--ipr1
# composition = AlCr2
# 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 2024-11-27

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  7.537243120e+07 
1.00  5.355097319e+07 
1.02  3.820982855e+07 
1.04  2.737255409e+07 
1.06  1.968219742e+07 
1.08  1.420168268e+07 
1.10  1.028031370e+07 
1.12  7.463938555e+06 
1.14  5.434005042e+06 
1.16  3.966034131e+06 
1.18  2.901118450e+06 
1.20  2.126296409e+06 
1.22  1.560949743e+06 
1.24  1.147319725e+06 
1.26  8.438836393e+05 
1.28  6.206937603e+05 
1.30  4.560819288e+05 
1.32  3.343997376e+05 
1.34  2.449483522e+05 
1.36  1.793105665e+05 
1.38  1.311354702e+05 
1.40  9.577978615e+04 
1.42  6.984262392e+04 
1.44  5.082868172e+04 
1.46  3.690442574e+04 
1.48  2.672139341e+04 
1.50  1.928726543e+04 
1.52  1.387148705e+04 
1.54  9.936088607e+03 
1.56  7.084897638e+03 
1.58  5.026242198e+03 
1.60  3.545621730e+03 
1.62  2.485483126e+03 
1.64  1.730249762e+03 
1.66  1.195309359e+03 
1.68  8.188755257e+02 
1.70  5.559513038e+02 
1.72  3.738528049e+02 
1.74  2.489235559e+02 
1.76  1.641243727e+02 
1.78  1.072483145e+02 
1.80  6.960224612e+01 
1.82  4.501166317e+01 
1.84  2.914512827e+01 
1.86  1.902481417e+01 
1.88  1.261682207e+01 
1.90  8.552943181e+00 
1.92  5.928844248e+00 
1.94  4.160007166e+00 
1.96  2.880363504e+00 
1.98  1.872615964e+00 
2.00  1.020746595e+00 
2.02  2.715685758e-01 
2.04 -4.005996773e-01 
2.06 -1.010169635e+00 
2.08 -1.567751122e+00 
2.10 -2.083512200e+00 
2.12 -2.566678450e+00 
2.14 -3.022750099e+00 
2.16 -3.452778825e+00 
2.18 -3.855714279e+00 
2.20 -4.229320745e+00 
2.22 -4.570949015e+00 
2.24 -4.878338163e+00 
2.26 -5.150301012e+00 
2.28 -5.387111080e+00 
2.30 -5.590415228e+00 
2.32 -5.762542033e+00 
2.34 -5.904809373e+00 
2.36 -6.016899993e+00 
2.38 -6.098574008e+00 
2.40 -6.150247992e+00 
2.42 -6.173119031e+00 
2.44 -6.169721176e+00 
2.46 -6.144146413e+00 
2.48 -6.101096657e+00 
2.50 -6.045696148e+00 
2.52 -5.983442660e+00 
2.54 -5.920058582e+00 
2.56 -5.861177384e+00 
2.58 -5.811520907e+00 
2.60 -5.773653172e+00 
2.62 -5.746492373e+00 
2.64 -5.725544670e+00 
2.66 -5.707203998e+00 
2.68 -5.689873986e+00 
2.70 -5.673290056e+00 
2.72 -5.657648873e+00 
2.74 -5.642462126e+00 
2.76 -5.626346473e+00 
2.78 -5.607155523e+00 
2.80 -5.582136674e+00 
2.82 -5.548167794e+00 
2.84 -5.502670280e+00 
2.86 -5.444399878e+00 
2.88 -5.373345214e+00 
2.90 -5.290610771e+00 
2.92 -5.198331600e+00 
2.94 -5.099162800e+00 
2.96 -4.995640489e+00 
2.98 -4.889751025e+00 
3.00 -4.782770695e+00 
3.02 -4.675302560e+00 
3.04 -4.567511971e+00 
3.06 -4.459469574e+00 
3.08 -4.351276447e+00 
3.10 -4.243125555e+00 
3.12 -4.135327177e+00 
3.14 -4.028316229e+00 
3.16 -3.922663897e+00 
3.18 -3.819035003e+00 
3.20 -3.718117187e+00 
3.22 -3.620550317e+00 
3.24 -3.526863471e+00 
3.26 -3.437426736e+00 
3.28 -3.352425414e+00 
3.30 -3.271864290e+00 
3.32 -3.195598250e+00 
3.34 -3.123346794e+00 
3.36 -3.054698768e+00 
3.38 -2.989126190e+00 
3.40 -2.926005717e+00 
3.42 -2.864646855e+00 
3.44 -2.804325757e+00 
3.46 -2.744323064e+00 
3.48 -2.683963930e+00 
3.50 -2.622658031e+00 
3.52 -2.559936989e+00 
3.54 -2.495486320e+00 
3.56 -2.429168675e+00 
3.58 -2.361034764e+00 
3.60 -2.291318059e+00 
3.62 -2.220408989e+00 
3.64 -2.148804012e+00 
3.66 -2.077024602e+00 
3.68 -2.005500968e+00 
3.70 -1.934465682e+00 
3.72 -1.864062135e+00 
3.74 -1.794439800e+00 
3.76 -1.725756643e+00 
3.78 -1.658177559e+00 
3.80 -1.591872688e+00 
3.82 -1.527015590e+00 
3.84 -1.463781246e+00 
3.86 -1.402343853e+00 
3.88 -1.342874382e+00 
3.90 -1.285537842e+00 
3.92 -1.230490234e+00 
3.94 -1.177875102e+00 
3.96 -1.127819687e+00 
3.98 -1.080430555e+00 
4.00 -1.035789065e+00 
4.02 -9.939503188e-01 
4.04 -9.549435167e-01 
4.06 -9.187691340e-01 
4.08 -8.853954812e-01 
4.10 -8.547549583e-01 
4.12 -8.267399696e-01 
4.14 -8.011984590e-01 
4.16 -7.779290226e-01 
4.18 -7.566780671e-01 
4.20 -7.371556960e-01 
4.22 -7.190574162e-01 
4.24 -7.020766524e-01 
4.26 -6.859145392e-01 
4.28 -6.702877750e-01 
4.30 -6.549347529e-01 
4.32 -6.396200937e-01 
4.34 -6.241377746e-01 
4.36 -6.083133391e-01 
4.38 -5.920048349e-01 
4.40 -5.751028334e-01 
4.42 -5.575303919e-01 
4.44 -5.392411858e-01 
4.46 -5.202188805e-01 
4.48 -5.004741599e-01 
4.50 -4.800437717e-01 
4.52 -4.589866597e-01 
4.54 -4.373835229e-01 
4.56 -4.153316831e-01 
4.58 -3.929456668e-01 
4.60 -3.703518360e-01 
4.62 -3.476874480e-01 
4.64 -3.251000287e-01 
4.66 -3.027397354e-01 
4.68 -2.807630064e-01 
4.70 -2.593300597e-01 
4.72 -2.385949753e-01 
4.74 -2.187119950e-01 
4.76 -1.998338923e-01 
4.78 -1.821052530e-01 
4.80 -1.656462529e-01 
4.82 -1.505790214e-01 
4.84 -1.370113053e-01 
4.86 -1.250299528e-01 
4.88 -1.146268271e-01 
4.90 -1.057580377e-01 
4.92 -9.851329911e-02 
4.94 -9.290955620e-02 
4.96 -8.888345294e-02 
4.98 -8.628842927e-02 
5.00 -8.493017311e-02 
5.02 -8.446207861e-02 
5.04 -8.428534029e-02 
5.06 -8.394757482e-02 
5.08 -8.311357199e-02 
5.10 -8.153722925e-02 
5.12 -7.920064840e-02 
5.14 -7.615170940e-02 
5.16 -7.247527218e-02 
5.18 -6.827925635e-02 
5.20 -6.368766995e-02 
5.22 -5.871405515e-02 
5.24 -5.337193136e-02 
5.26 -4.770573063e-02 
5.28 -4.178170915e-02 
5.30 -3.567982691e-02 
5.32 -2.948716874e-02 
5.34 -2.329051494e-02 
5.36 -1.716089767e-02 
5.38 -1.124417382e-02 
5.40 -5.672101451e-03 
5.42 -5.399301145e-04 
5.44  4.087236264e-03 
5.46  8.169112233e-03 
5.48  1.168576295e-02 
5.50  1.463384721e-02 
5.52  1.702344721e-02 
5.54  1.887538185e-02 
5.56  2.021891842e-02 
5.58  2.108981298e-02 
5.60  2.152862283e-02 
5.62  2.157924563e-02 
5.64  2.128764913e-02 
5.66  2.070076324e-02 
5.68  1.986551246e-02 
5.70  1.882797231e-02 
5.72  1.763263716e-02 
5.74  1.632179059e-02 
5.76  1.493497168e-02 
5.78  1.350853275e-02 
5.80  1.207528524e-02 
5.82  1.066423137e-02 
5.84  9.300379563e-03 
5.86  8.004641926e-03 
5.88  6.793811541e-03 
5.90  5.680617279e-03 
5.92  4.673852929e-03 
5.94  3.778576786e-03 
5.96  2.996376881e-03 
5.98  2.325695994e-03 
6.00  1.762209503e-03