# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al
# implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1
# composition = CrFe2
# 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 2025-07-01

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  2.713034828e+02 
0.98  2.484244527e+02 
1.00  2.278499357e+02 
1.02  2.091142492e+02 
1.04  1.917051923e+02 
1.06  1.760658303e+02 
1.08  1.617645308e+02 
1.10  1.486616385e+02 
1.12  1.364922449e+02 
1.14  1.252516350e+02 
1.16  1.150503285e+02 
1.18  1.056629351e+02 
1.20  9.725604503e+01 
1.22  8.931140853e+01 
1.24  8.191250632e+01 
1.26  7.522121577e+01 
1.28  6.902300027e+01 
1.30  6.336430831e+01 
1.32  5.802115443e+01 
1.34  5.327616788e+01 
1.36  4.871955841e+01 
1.38  4.454090766e+01 
1.40  4.066662080e+01 
1.42  3.709381280e+01 
1.44  3.395417685e+01 
1.46  3.107919203e+01 
1.48  2.823773335e+01 
1.50  2.561678575e+01 
1.52  2.326374348e+01 
1.54  2.113582798e+01 
1.56  1.906055193e+01 
1.58  1.717673532e+01 
1.60  1.540879598e+01 
1.62  1.377878820e+01 
1.64  1.227621903e+01 
1.66  1.095370037e+01 
1.68  9.725642467e+00 
1.70  8.539783470e+00 
1.72  7.448179314e+00 
1.74  6.529947247e+00 
1.76  5.598179577e+00 
1.78  4.741885312e+00 
1.80  3.955456722e+00 
1.82  3.317176285e+00 
1.84  2.647991419e+00 
1.86  2.143656906e+00 
1.88  1.572854571e+00 
1.90  1.051033154e+00 
1.92  5.745598476e-01 
1.94  1.841852973e-01 
1.96 -2.151564792e-01 
1.98 -5.782027982e-01 
2.00 -9.076553302e-01 
2.02 -1.206018671e+00 
2.04 -1.475615376e+00 
2.06 -1.718599765e+00 
2.08 -1.936970594e+00 
2.10 -2.083605882e+00 
2.12 -2.235345763e+00 
2.14 -2.396135893e+00 
2.16 -2.538527715e+00 
2.18 -2.663933966e+00 
2.20 -2.773666546e+00 
2.22 -2.868943838e+00 
2.24 -2.862628911e+00 
2.26 -2.938797216e+00 
2.28 -3.003194060e+00 
2.30 -3.056760914e+00 
2.32 -3.100372270e+00 
2.34 -3.134840384e+00 
2.36 -3.160919661e+00 
2.38 -3.179310723e+00 
2.40 -3.190664180e+00 
2.42 -3.195584123e+00 
2.44 -3.127450967e+00 
2.46 -3.125600303e+00 
2.48 -3.118586588e+00 
2.50 -3.106877280e+00 
2.52 -3.035695526e+00 
2.54 -3.019534766e+00 
2.56 -2.999644675e+00 
2.58 -2.976387189e+00 
2.60 -2.950097855e+00 
2.62 -2.921087643e+00 
2.64 -2.889644620e+00 
2.66 -2.856035515e+00 
2.68 -2.820507177e+00 
2.70 -2.783287935e+00 
2.72 -2.744588860e+00 
2.74 -2.682300813e+00 
2.76 -2.642559733e+00 
2.78 -2.601798771e+00 
2.80 -2.560175860e+00 
2.82 -2.517836551e+00 
2.84 -2.474914859e+00 
2.86 -2.431534057e+00 
2.88 -2.387807417e+00 
2.90 -2.343838898e+00 
2.92 -2.299723791e+00 
2.94 -2.255549321e+00 
2.96 -2.211395210e+00 
2.98 -2.167334198e+00 
3.00 -2.123432537e+00 
3.02 -2.079750445e+00 
3.04 -2.036342531e+00 
3.06 -1.993258200e+00 
3.08 -1.950542019e+00 
3.10 -1.908234065e+00 
3.12 -1.866370253e+00 
3.14 -1.824982634e+00 
3.16 -1.762291773e+00 
3.18 -1.723067354e+00 
3.20 -1.684336691e+00 
3.22 -1.646122004e+00 
3.24 -1.608442736e+00 
3.26 -1.571315766e+00 
3.28 -1.534755598e+00 
3.30 -1.441813725e+00 
3.32 -1.409326001e+00 
3.34 -1.377288626e+00 
3.36 -1.345715734e+00 
3.38 -1.314619506e+00 
3.40 -1.284010318e+00 
3.42 -1.253896874e+00 
3.44 -1.224286337e+00 
3.46 -1.195184444e+00 
3.48 -1.166595620e+00 
3.50 -1.138523081e+00 
3.52 -1.110968930e+00 
3.54 -1.083934250e+00 
3.56 -1.057419186e+00 
3.58 -1.031423025e+00 
3.60 -1.005944270e+00 
3.62 -9.809807091e-01 
3.64 -9.565294771e-01 
3.66 -9.325871183e-01 
3.68 -9.091496402e-01 
3.70 -8.862125657e-01 
3.72 -8.637709815e-01 
3.74 -8.418195827e-01 
3.76 -8.203527145e-01 
3.78 -7.993644110e-01 
3.80 -7.788484309e-01 
3.82 -7.587982912e-01 
3.84 -7.392072980e-01 
3.86 -6.739671182e-01 
3.88 -6.572608621e-01 
3.90 -6.409073391e-01 
3.92 -6.249029138e-01 
3.94 -6.092437107e-01 
3.96 -5.939256402e-01 
3.98 -5.789444220e-01 
4.00 -5.642956073e-01 
4.02 -5.499745994e-01 
4.04 -5.359766729e-01 
4.06 -5.222969910e-01 
4.08 -5.089306227e-01 
4.10 -4.958725575e-01 
4.12 -4.831177197e-01 
4.14 -4.706609816e-01 
4.16 -4.584971757e-01 
4.18 -4.466211055e-01 
4.20 -4.350275562e-01 
4.22 -4.237113042e-01 
4.24 -4.126671255e-01 
4.26 -4.018898041e-01 
4.28 -3.913741392e-01 
4.30 -3.811149520e-01 
4.32 -3.711070918e-01 
4.34 -3.613454416e-01 
4.36 -3.518249234e-01 
4.38 -3.425405025e-01 
4.40 -3.334871922e-01 
4.42 -3.246600569e-01 
4.44 -3.160542161e-01 
4.46 -3.076648469e-01 
4.48 -2.994871872e-01 
4.50 -2.915165377e-01 
4.52 -2.837482643e-01 
4.54 -2.761777994e-01 
4.56 -2.688006442e-01 
4.58 -2.616123694e-01 
4.60 -2.546086167e-01 
4.62 -2.477850994e-01 
4.64 -2.411376035e-01 
4.66 -2.346619880e-01 
4.68 -2.283541855e-01 
4.70 -2.222102021e-01 
4.72 -2.162261181e-01 
4.74 -2.103980873e-01 
4.76 -2.047223377e-01 
4.78 -1.991951704e-01 
4.80 -1.938129600e-01 
4.82 -1.885721539e-01 
4.84 -1.834692718e-01 
4.86 -1.785009053e-01 
4.88 -1.736637171e-01 
4.90 -1.689544403e-01 
4.92 -1.643698782e-01 
4.94 -1.599069026e-01 
4.96 -1.555624539e-01 
4.98 -1.513335395e-01 
5.00 -1.472172336e-01 
5.02 -1.432106757e-01 
5.04 -1.393110699e-01 
5.06 -1.355156839e-01 
5.08 -1.318218482e-01 
5.10 -1.282269546e-01 
5.12 -1.247284558e-01 
5.14 -1.213238641e-01 
5.16 -1.180107500e-01 
5.18 -1.147867420e-01 
5.20 -1.116495246e-01 
5.22 -1.085968381e-01 
5.24 -1.056264768e-01 
5.26 -1.027362888e-01 
5.28 -9.992417410e-02 
5.30 -9.718808412e-02 
5.32 -9.452602049e-02 
5.34 -9.193603406e-02 
5.36 -8.941622384e-02 
5.38 -8.696473604e-02 
5.40 -8.457976306e-02 
5.42 -8.225954248e-02 
5.44 -8.000235612e-02 
5.46 -6.111400060e-02 
5.48 -5.948221986e-02 
5.50 -5.789341085e-02 
5.52 -5.634647433e-02 
5.54 -5.484033736e-02 
5.56 -5.337395283e-02 
5.58 -5.194629892e-02 
5.60 -5.055637856e-02 
5.62 -4.920321897e-02 
5.64 -4.788587105e-02 
5.66 -4.660340898e-02 
5.68 -4.535492967e-02 
5.70 -4.413955227e-02 
5.72 -4.295641768e-02 
5.74 -4.180468811e-02 
5.76 -4.068354656e-02 
5.78 -3.959219639e-02 
5.80 -3.852986084e-02 
5.82 -3.749578262e-02 
5.84 -3.648922341e-02 
5.86 -3.550946347e-02 
5.88 -3.455580121e-02 
5.90 -3.362755275e-02 
5.92 -3.272405151e-02 
5.94 -3.184464782e-02 
5.96 -3.098870854e-02 
5.98 -3.015561662e-02 
6.00 -2.934477075e-02