# 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 = Al2Co
# 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  2.572319250e+02 
0.98  2.363099803e+02 
1.00  2.176657591e+02 
1.02  2.007311502e+02 
1.04  1.846547652e+02 
1.06  1.703959038e+02 
1.08  1.573631955e+02 
1.10  1.453551578e+02 
1.12  1.340556696e+02 
1.14  1.235150719e+02 
1.16  1.139924526e+02 
1.18  1.052211285e+02 
1.20  9.752496840e+01 
1.22  9.005116560e+01 
1.24  8.298842809e+01 
1.26  7.668808504e+01 
1.28  7.077443398e+01 
1.30  6.542799834e+01 
1.32  6.024648572e+01 
1.34  5.580580672e+01 
1.36  5.134293901e+01 
1.38  4.725505998e+01 
1.40  4.343297810e+01 
1.42  3.989556061e+01 
1.44  3.686152825e+01 
1.46  3.414011943e+01 
1.48  3.127396221e+01 
1.50  2.861927748e+01 
1.52  2.629828329e+01 
1.54  2.417507624e+01 
1.56  2.203487079e+01 
1.58  2.010719556e+01 
1.60  1.826438921e+01 
1.62  1.655663425e+01 
1.64  1.497400399e+01 
1.66  1.364124896e+01 
1.68  1.235396397e+01 
1.70  1.107682217e+01 
1.72  9.893875681e+00 
1.74  8.958342754e+00 
1.76  7.930843318e+00 
1.78  6.979897531e+00 
1.80  6.100089163e+00 
1.82  5.464161520e+00 
1.84  4.698402201e+00 
1.86  4.158444208e+00 
1.88  3.491176809e+00 
1.90  2.875406355e+00 
1.92  2.307539328e+00 
1.94  1.865897165e+00 
1.96  1.377997229e+00 
1.98  9.291325385e-01 
2.00  5.165924421e-01 
2.02  1.378558601e-01 
2.04 -2.094228377e-01 
2.06 -5.274268085e-01 
2.08 -8.181886721e-01 
2.10 -1.008531753e+00 
2.12 -1.214660404e+00 
2.14 -1.442621121e+00 
2.16 -1.649586768e+00 
2.18 -1.837027633e+00 
2.20 -2.006314803e+00 
2.22 -2.158727116e+00 
2.24 -2.132076452e+00 
2.26 -2.264804283e+00 
2.28 -2.383322633e+00 
2.30 -2.488644166e+00 
2.32 -2.581714378e+00 
2.34 -2.663416143e+00 
2.36 -2.734573917e+00 
2.38 -2.795957654e+00 
2.40 -2.848286436e+00 
2.42 -2.892231862e+00 
2.44 -2.785463287e+00 
2.46 -2.822687750e+00 
2.48 -2.852824028e+00 
2.50 -2.876408777e+00 
2.52 -2.808944751e+00 
2.54 -2.826126660e+00 
2.56 -2.837845499e+00 
2.58 -2.844529647e+00 
2.60 -2.846579398e+00 
2.62 -2.844368742e+00 
2.64 -2.838247036e+00 
2.66 -2.828540561e+00 
2.68 -2.815553981e+00 
2.70 -2.799571707e+00 
2.72 -2.780859179e+00 
2.74 -2.718434844e+00 
2.76 -2.697178242e+00 
2.78 -2.673769765e+00 
2.80 -2.648416202e+00 
2.82 -2.621310333e+00 
2.84 -2.592631807e+00 
2.86 -2.562547961e+00 
2.88 -2.531214595e+00 
2.90 -2.498776692e+00 
2.92 -2.465369095e+00 
2.94 -2.431117146e+00 
2.96 -2.396137279e+00 
2.98 -2.360537584e+00 
3.00 -2.324418328e+00 
3.02 -2.287872454e+00 
3.04 -2.250986037e+00 
3.06 -2.213838723e+00 
3.08 -2.176504136e+00 
3.10 -2.139050260e+00 
3.12 -2.101539800e+00 
3.14 -2.064030517e+00 
3.16 -1.979998369e+00 
3.18 -1.944731510e+00 
3.20 -1.909520378e+00 
3.22 -1.874409916e+00 
3.24 -1.839441364e+00 
3.26 -1.804652502e+00 
3.28 -1.770077866e+00 
3.30 -1.648266445e+00 
3.32 -1.618336376e+00 
3.34 -1.588513586e+00 
3.36 -1.558830546e+00 
3.38 -1.529317010e+00 
3.40 -1.500000193e+00 
3.42 -1.470904927e+00 
3.44 -1.442053815e+00 
3.46 -1.413467372e+00 
3.48 -1.385164158e+00 
3.50 -1.357160909e+00 
3.52 -1.329472651e+00 
3.54 -1.302112816e+00 
3.56 -1.275093346e+00 
3.58 -1.248424791e+00 
3.60 -1.222116406e+00 
3.62 -1.196176237e+00 
3.64 -1.170611201e+00 
3.66 -1.145427169e+00 
3.68 -1.120629038e+00 
3.70 -1.096220797e+00 
3.72 -1.072205596e+00 
3.74 -1.048585801e+00 
3.76 -1.025363059e+00 
3.78 -1.002538345e+00 
3.80 -9.801120172e-01 
3.82 -9.580838603e-01 
3.84 -9.364531338e-01 
3.86 -8.303480096e-01 
3.88 -8.127205443e-01 
3.90 -7.953646850e-01 
3.92 -7.782824487e-01 
3.94 -7.614753512e-01 
3.96 -7.449444422e-01 
3.98 -7.286903388e-01 
4.00 -7.127132570e-01 
4.02 -6.970130414e-01 
4.04 -6.815891928e-01 
4.06 -6.664408948e-01 
4.08 -6.515670383e-01 
4.10 -6.369662449e-01 
4.12 -6.226368885e-01 
4.14 -6.085771160e-01 
4.16 -5.947848667e-01 
4.18 -5.812578904e-01 
4.20 -5.679937640e-01 
4.22 -5.549899082e-01 
4.24 -5.422436018e-01 
4.26 -5.297519963e-01 
4.28 -5.175121285e-01 
4.30 -5.055209335e-01 
4.32 -4.937752556e-01 
4.34 -4.822718595e-01 
4.36 -4.710074402e-01 
4.38 -4.599786325e-01 
4.40 -4.491820198e-01 
4.42 -4.386141425e-01 
4.44 -4.282715052e-01 
4.46 -4.181505843e-01 
4.48 -4.082478343e-01 
4.50 -3.985596943e-01 
4.52 -3.890825933e-01 
4.54 -3.798129560e-01 
4.56 -3.707472073e-01 
4.58 -3.618817771e-01 
4.60 -3.532131047e-01 
4.62 -3.447376419e-01 
4.64 -3.364518577e-01 
4.66 -3.283522406e-01 
4.68 -3.204353022e-01 
4.70 -3.126975799e-01 
4.72 -3.051356390e-01 
4.74 -2.977460756e-01 
4.76 -2.905255184e-01 
4.78 -2.834706306e-01 
4.80 -2.765781114e-01 
4.82 -2.698446980e-01 
4.84 -2.632671667e-01 
4.86 -2.568423340e-01 
4.88 -2.505670580e-01 
4.90 -2.444382390e-01 
4.92 -2.384528207e-01 
4.94 -2.326077903e-01 
4.96 -2.269001800e-01 
4.98 -2.213270665e-01 
5.00 -2.158855720e-01 
5.02 -2.105728647e-01 
5.04 -2.053861582e-01 
5.06 -2.003227125e-01 
5.08 -1.953798336e-01 
5.10 -1.905548737e-01 
5.12 -1.858452311e-01 
5.14 -1.812483502e-01 
5.16 -1.767617211e-01 
5.18 -1.723828796e-01 
5.20 -1.681094071e-01 
5.22 -1.639389299e-01 
5.24 -1.598691193e-01 
5.26 -1.558976909e-01 
5.28 -1.520224044e-01 
5.30 -1.482410634e-01 
5.32 -1.445515145e-01 
5.34 -1.409516471e-01 
5.36 -1.374393929e-01 
5.38 -1.340127255e-01 
5.40 -1.306696597e-01 
5.42 -1.274082509e-01 
5.44 -1.242265950e-01 
5.46 -8.557146402e-02 
5.48 -8.347110907e-02 
5.50 -8.142116331e-02 
5.52 -7.942047484e-02 
5.54 -7.746791502e-02 
5.56 -7.556237828e-02 
5.58 -7.370278173e-02 
5.60 -7.188806485e-02 
5.62 -7.011718921e-02 
5.64 -6.838913807e-02 
5.66 -6.670291611e-02 
5.68 -6.505754907e-02 
5.70 -6.345208342e-02 
5.72 -6.188558602e-02 
5.74 -6.035714378e-02 
5.76 -5.886586334e-02 
5.78 -5.741087072e-02 
5.80 -5.599131096e-02 
5.82 -5.460634785e-02 
5.84 -5.325516352e-02 
5.86 -5.193695817e-02 
5.88 -5.065094970e-02 
5.90 -4.939637339e-02 
5.92 -4.817248160e-02 
5.94 -4.697854340e-02 
5.96 -4.581384430e-02 
5.98 -4.467768590e-02 
6.00 -4.356938558e-02