# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Co-Cr
# implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1
# composition = CrNi2
# 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  5.088332752e+05 
0.94  4.251195586e+05 
0.96  3.482529085e+05 
0.98  2.775471144e+05 
1.00  2.150218090e+05 
1.02  1.668588308e+05 
1.04  1.300224567e+05 
1.06  1.017184985e+05 
1.08  7.987289565e+04 
1.10  6.293816740e+04 
1.12  4.975424036e+04 
1.14  3.944723899e+04 
1.16  3.135608424e+04 
1.18  2.497843963e+04 
1.20  1.993093648e+04 
1.22  1.591985828e+04 
1.24  1.271926022e+04 
1.26  1.015467755e+04 
1.28  8.105096279e+03 
1.30  6.483374401e+03 
1.32  5.196895187e+03 
1.34  4.173579868e+03 
1.36  3.357520807e+03 
1.38  2.705184679e+03 
1.40  2.182552530e+03 
1.42  1.762985885e+03 
1.44  1.425562383e+03 
1.46  1.153758474e+03 
1.48  9.344671248e+02 
1.50  7.572617366e+02 
1.52  6.138451465e+02 
1.54  4.976084757e+02 
1.56  4.032828592e+02 
1.58  3.266632213e+02 
1.60  2.643875979e+02 
1.62  2.137632278e+02 
1.64  1.726164343e+02 
1.66  1.391721963e+02 
1.68  1.119795585e+02 
1.70  8.986624990e+01 
1.72  7.188741899e+01 
1.74  5.728200175e+01 
1.76  4.543437638e+01 
1.78  3.584039846e+01 
1.80  2.808466714e+01 
1.82  2.180675487e+01 
1.84  1.671521158e+01 
1.86  1.258975968e+01 
1.88  9.248898247e+00 
1.90  6.544950357e+00 
1.92  4.361216078e+00 
1.94  2.605729659e+00 
1.96  1.199987876e+00 
1.98  7.738156801e-02 
2.00 -8.173262401e-01 
2.02 -1.530910308e+00 
2.04 -2.102934549e+00 
2.06 -2.565271278e+00 
2.08 -2.942064056e+00 
2.10 -3.244835547e+00 
2.12 -3.481115508e+00 
2.14 -3.664954035e+00 
2.16 -3.809312534e+00 
2.18 -3.922258076e+00 
2.20 -4.008458746e+00 
2.22 -4.071012429e+00 
2.24 -4.113221055e+00 
2.26 -4.138727272e+00 
2.28 -4.151196549e+00 
2.30 -4.153950448e+00 
2.32 -4.149609384e+00 
2.34 -4.140046424e+00 
2.36 -4.126512350e+00 
2.38 -4.109919699e+00 
2.40 -4.091716853e+00 
2.42 -4.074184475e+00 
2.44 -4.059304377e+00 
2.46 -4.048262323e+00 
2.48 -4.041202659e+00 
2.50 -4.036751142e+00 
2.52 -4.031461045e+00 
2.54 -4.021063847e+00 
2.56 -4.003571761e+00 
2.58 -3.979053411e+00 
2.60 -3.948765488e+00 
2.62 -3.914494075e+00 
2.64 -3.878030249e+00 
2.66 -3.840799399e+00 
2.68 -3.803674494e+00 
2.70 -3.766920145e+00 
2.72 -3.730241581e+00 
2.74 -3.692918263e+00 
2.76 -3.653963460e+00 
2.78 -3.612204283e+00 
2.80 -3.566554376e+00 
2.82 -3.516373851e+00 
2.84 -3.461355437e+00 
2.86 -3.401241793e+00 
2.88 -3.335959466e+00 
2.90 -3.265866761e+00 
2.92 -3.191715086e+00 
2.94 -3.114502682e+00 
2.96 -3.035334488e+00 
2.98 -2.955466825e+00 
3.00 -2.876315027e+00 
3.02 -2.799237919e+00 
3.04 -2.725270215e+00 
3.06 -2.654991616e+00 
3.08 -2.588504224e+00 
3.10 -2.525491253e+00 
3.12 -2.465378521e+00 
3.14 -2.407624524e+00 
3.16 -2.352024934e+00 
3.18 -2.298505543e+00 
3.20 -2.246941661e+00 
3.22 -2.197174314e+00 
3.24 -2.149021989e+00 
3.26 -2.102290968e+00 
3.28 -2.056785488e+00 
3.30 -2.012317182e+00 
3.32 -1.968713367e+00 
3.34 -1.925823831e+00 
3.36 -1.883525860e+00 
3.38 -1.841727339e+00 
3.40 -1.800367852e+00 
3.42 -1.759417809e+00 
3.44 -1.718875691e+00 
3.46 -1.678763631e+00 
3.48 -1.639121616e+00 
3.50 -1.600000695e+00 
3.52 -1.561455663e+00 
3.54 -1.523537808e+00 
3.56 -1.486288349e+00 
3.58 -1.449733351e+00 
3.60 -1.413880925e+00 
3.62 -1.378721676e+00 
3.64 -1.344233401e+00 
3.66 -1.310391176e+00 
3.68 -1.277184004e+00 
3.70 -1.244631293e+00 
3.72 -1.212766244e+00 
3.74 -1.181620307e+00 
3.76 -1.151221845e+00 
3.78 -1.121595453e+00 
3.80 -1.092761366e+00 
3.82 -1.064734923e+00 
3.84 -1.037526129e+00 
3.86 -1.011139299e+00 
3.88 -9.855728003e-01 
3.90 -9.608188805e-01 
3.92 -9.368636072e-01 
3.94 -9.136869010e-01 
3.96 -8.912626737e-01 
3.98 -8.695590853e-01 
4.00 -8.485388712e-01 
4.02 -8.281598336e-01 
4.04 -8.083753584e-01 
4.06 -7.891351150e-01 
4.08 -7.703858165e-01 
4.10 -7.520720652e-01 
4.12 -7.341373197e-01 
4.14 -7.165249499e-01 
4.16 -6.991793690e-01 
4.18 -6.820475508e-01 
4.20 -6.650821384e-01 
4.22 -6.482429510e-01 
4.24 -6.314967679e-01 
4.26 -6.148171078e-01 
4.28 -5.981841971e-01 
4.30 -5.815851374e-01 
4.32 -5.650142175e-01 
4.34 -5.484725228e-01 
4.36 -5.319689568e-01 
4.38 -5.155199873e-01 
4.40 -4.991492348e-01 
4.42 -4.828893428e-01 
4.44 -4.667787278e-01 
4.46 -4.508652865e-01 
4.48 -4.352021201e-01 
4.50 -4.198483989e-01 
4.52 -4.048725701e-01 
4.54 -3.903382607e-01 
4.56 -3.763201507e-01 
4.58 -3.628953140e-01 
4.60 -3.501191582e-01 
4.62 -3.380636574e-01 
4.64 -3.267972725e-01 
4.66 -3.163438974e-01 
4.68 -3.065914674e-01 
4.70 -2.976813768e-01 
4.72 -2.897285416e-01 
4.74 -2.827707219e-01 
4.76 -2.767682441e-01 
4.78 -2.717239400e-01 
4.80 -2.672074819e-01 
4.82 -2.626827786e-01 
4.84 -2.576625538e-01 
4.86 -2.519258584e-01 
4.88 -2.454186653e-01 
4.90 -2.381631386e-01 
4.92 -2.302349045e-01 
4.94 -2.217727826e-01 
4.96 -2.128543337e-01 
4.98 -2.035522560e-01 
5.00 -1.939651809e-01 
5.02 -1.842002451e-01 
5.04 -1.743664193e-01 
5.06 -1.645690446e-01 
5.08 -1.549055533e-01 
5.10 -1.454497713e-01 
5.12 -1.362928768e-01 
5.14 -1.275660282e-01 
5.16 -1.193577296e-01 
5.18 -1.117197147e-01 
5.20 -1.046748812e-01 
5.22 -9.822404337e-02 
5.24 -9.234900902e-02 
5.26 -8.701540661e-02 
5.28 -8.217675097e-02 
5.30 -7.777813353e-02 
5.32 -7.375948289e-02 
5.34 -7.005843094e-02 
5.36 -6.661281147e-02 
5.38 -6.336281186e-02 
5.40 -6.025279346e-02 
5.42 -5.723279288e-02 
5.44 -5.425971406e-02 
5.46 -5.129821982e-02 
5.48 -4.832133108e-02 
5.50 -4.531074280e-02 
5.52 -4.225686636e-02 
5.54 -3.915861034e-02 
5.56 -3.602291347e-02 
5.58 -3.286404667e-02 
5.60 -2.970270365e-02 
5.62 -2.656490346e-02 
5.64 -2.348073146e-02 
5.66 -2.048294943e-02 
5.68 -1.760550943e-02 
5.70 -1.488201002e-02 
5.72 -1.234413805e-02 
5.74 -1.002014331e-02 
5.76 -7.933398016e-03 
5.78 -6.101097408e-03 
5.80 -4.533162546e-03 
5.82 -3.231410743e-03 
5.84 -2.189063852e-03 
5.86 -1.390669204e-03 
5.88 -8.125126501e-04 
5.90 -4.236078204e-04 
5.92 -1.873503832e-04 
5.94 -6.393073715e-05 
5.96 -1.360324610e-05 
5.98 -9.147813407e-07 
6.00 -3.652322607e-13