# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Fan-Z-Maras-E-Cottura-M-et-al--Zr-Nb
# implementation = 2024--Fan-Z--Zr-Nb--LAMMPS--ipr1
# composition = NbZr2
# 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  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  nan             
1.06  nan             
1.08  nan             
1.10  8.391029167e+03 
1.12  7.814124930e+03 
1.14  7.275049818e+03 
1.16  6.771047534e+03 
1.18  6.299731404e+03 
1.20  5.858816039e+03 
1.22  5.446325140e+03 
1.24  5.060472892e+03 
1.26  4.699602585e+03 
1.28  4.362372692e+03 
1.30  4.047910358e+03 
1.32  3.754832216e+03 
1.34  3.481422289e+03 
1.36  3.226095768e+03 
1.38  2.987787911e+03 
1.40  2.765640715e+03 
1.42  2.558826787e+03 
1.44  2.366672319e+03 
1.46  2.188255806e+03 
1.48  2.022618681e+03 
1.50  1.868845825e+03 
1.52  1.726066589e+03 
1.54  1.593481420e+03 
1.56  1.470384392e+03 
1.58  1.356096695e+03 
1.60  1.249942529e+03 
1.62  1.151318167e+03 
1.64  1.059692719e+03 
1.66  9.745757014e+02 
1.68  8.955099117e+02 
1.70  8.219553599e+02 
1.72  7.533429194e+02 
1.74  6.891103403e+02 
1.76  6.286948496e+02 
1.78  5.715299673e+02 
1.80  5.171659864e+02 
1.82  4.654178309e+02 
1.84  4.161421023e+02 
1.86  3.692086187e+02 
1.88  3.245017150e+02 
1.90  2.819136793e+02 
1.92  2.418229063e+02 
1.94  2.080589405e+02 
1.96  1.801487651e+02 
1.98  1.567765859e+02 
2.00  1.369344450e+02 
2.02  1.198995665e+02 
2.04  1.050735614e+02 
2.06  9.198544056e+01 
2.08  8.027856630e+01 
2.10  6.968323210e+01 
2.12  5.999078236e+01 
2.14  5.103519357e+01 
2.16  4.268773021e+01 
2.18  3.485296984e+01 
2.20  2.798961006e+01 
2.22  2.230928416e+01 
2.24  1.759741058e+01 
2.26  1.368000793e+01 
2.28  1.041623101e+01 
2.30  7.692023016e+00 
2.32  5.414855150e+00 
2.34  3.509284712e+00 
2.36  1.913389477e+00 
2.38  5.753784131e-01 
2.40 -5.480966864e-01 
2.42 -1.493515552e+00 
2.44 -2.290301452e+00 
2.46 -2.962590369e+00 
2.48 -3.530656068e+00 
2.50 -4.011562680e+00 
2.52 -4.419418497e+00 
2.54 -4.766200428e+00 
2.56 -5.062041128e+00 
2.58 -5.315402087e+00 
2.60 -5.532684984e+00 
2.62 -5.718283954e+00 
2.64 -5.875667655e+00 
2.66 -6.007557835e+00 
2.68 -6.116057098e+00 
2.70 -6.202759952e+00 
2.72 -6.269310442e+00 
2.74 -6.317902064e+00 
2.76 -6.350850976e+00 
2.78 -6.370254439e+00 
2.80 -6.378000129e+00 
2.82 -6.375824545e+00 
2.84 -6.365152941e+00 
2.86 -6.346822275e+00 
2.88 -6.321686524e+00 
2.90 -6.290901167e+00 
2.92 -6.255545615e+00 
2.94 -6.216231812e+00 
2.96 -6.172899044e+00 
2.98 -6.125889856e+00 
3.00 -6.075954369e+00 
3.02 -6.023977117e+00 
3.04 -5.970700563e+00 
3.06 -5.916684817e+00 
3.08 -5.862302905e+00 
3.10 -5.807778749e+00 
3.12 -5.753218209e+00 
3.14 -5.698636723e+00 
3.16 -5.644106321e+00 
3.18 -5.589855715e+00 
3.20 -5.536089797e+00 
3.22 -5.482854734e+00 
3.24 -5.430116556e+00 
3.26 -5.377830140e+00 
3.28 -5.325941904e+00 
3.30 -5.274391135e+00 
3.32 -5.223111925e+00 
3.34 -5.172038256e+00 
3.36 -5.121097537e+00 
3.38 -5.070210423e+00 
3.40 -5.019293305e+00 
3.42 -4.968261064e+00 
3.44 -4.917033611e+00 
3.46 -4.865602276e+00 
3.48 -4.814018285e+00 
3.50 -4.762330997e+00 
3.52 -4.710587178e+00 
3.54 -4.658832588e+00 
3.56 -4.607112393e+00 
3.58 -4.555433831e+00 
3.60 -4.503757957e+00 
3.62 -4.452036804e+00 
3.64 -4.400183229e+00 
3.66 -4.348104508e+00 
3.68 -4.295713035e+00 
3.70 -4.242943750e+00 
3.72 -4.189763885e+00 
3.74 -4.136142058e+00 
3.76 -4.082048574e+00 
3.78 -4.027458319e+00 
3.80 -3.972352499e+00 
3.82 -3.916724981e+00 
3.84 -3.860599579e+00 
3.86 -3.804013100e+00 
3.88 -3.747009858e+00 
3.90 -3.689641649e+00 
3.92 -3.631967444e+00 
3.94 -3.574052851e+00 
3.96 -3.515969385e+00 
3.98 -3.457793589e+00 
4.00 -3.399606032e+00 
4.02 -3.341490232e+00 
4.04 -3.283531525e+00 
4.06 -3.225815921e+00 
4.08 -3.168428953e+00 
4.10 -3.111454575e+00 
4.12 -3.054974099e+00 
4.14 -2.999065215e+00 
4.16 -2.943801098e+00 
4.18 -2.889249623e+00 
4.20 -2.835472700e+00 
4.22 -2.782513893e+00 
4.24 -2.730362487e+00 
4.26 -2.678988769e+00 
4.28 -2.628355768e+00 
4.30 -2.578419295e+00 
4.32 -2.529128135e+00 
4.34 -2.480424379e+00 
4.36 -2.432243900e+00 
4.38 -2.384516959e+00 
4.40 -2.337168925e+00 
4.42 -2.290140825e+00 
4.44 -2.243449388e+00 
4.46 -2.197128938e+00 
4.48 -2.151212769e+00 
4.50 -2.105734251e+00 
4.52 -2.060727975e+00 
4.54 -2.016230882e+00 
4.56 -1.972283372e+00 
4.58 -1.928930363e+00 
4.60 -1.886222259e+00 
4.62 -1.844199378e+00 
4.64 -1.802843369e+00 
4.66 -1.762127070e+00 
4.68 -1.722031057e+00 
4.70 -1.682542854e+00 
4.72 -1.643646116e+00 
4.74 -1.605284955e+00 
4.76 -1.567393047e+00 
4.78 -1.529904728e+00 
4.80 -1.492755692e+00 
4.82 -1.455889764e+00 
4.84 -1.419277723e+00 
4.86 -1.382900477e+00 
4.88 -1.346743098e+00 
4.90 -1.310792141e+00 
4.92 -1.275034753e+00 
4.94 -1.239458799e+00 
4.96 -1.204052985e+00 
4.98 -1.168806966e+00 
5.00 -1.133711445e+00 
5.02 -1.098758250e+00 
5.04 -1.063940399e+00 
5.06 -1.029252143e+00 
5.08 -9.946889857e-01 
5.10 -9.602476732e-01 
5.12 -9.259261705e-01 
5.14 -8.917235890e-01 
5.16 -8.576400934e-01 
5.18 -8.236768413e-01 
5.20 -7.898358982e-01 
5.22 -7.561181383e-01 
5.24 -7.225718770e-01 
5.26 -6.892508009e-01 
5.28 -6.561304007e-01 
5.30 -6.232057650e-01 
5.32 -5.905184293e-01 
5.34 -5.581547276e-01 
5.36 -5.261878667e-01 
5.38 -4.946682454e-01 
5.40 -4.636359584e-01 
5.42 -4.331283126e-01 
5.44 -4.031843948e-01 
5.46 -3.738486306e-01 
5.48 -3.451467673e-01 
5.50 -3.167868446e-01 
5.52 -2.895755998e-01 
5.54 -2.661285582e-01 
5.56 -2.425967875e-01 
5.58 -2.141029877e-01 
5.60 -1.807058122e-01 
5.62 -1.474516316e-01 
5.64 -1.182605813e-01 
5.66 -9.437267615e-02 
5.68 -7.568408258e-02 
5.70 -6.152540731e-02 
5.72 -5.106951208e-02 
5.74 -4.350969285e-02 
5.76 -3.810960574e-02 
5.78 -3.419344131e-02 
5.80 -3.111854418e-02 
5.82 -2.835650912e-02 
5.84 -2.579429170e-02 
5.86 -2.342201899e-02 
5.88 -2.122932232e-02 
5.90 -1.920528522e-02 
5.92 -1.733839759e-02 
5.94 -1.561651694e-02 
5.96 -1.402683717e-02 
5.98 -1.255586496e-02 
6.00 -1.118940405e-02