# 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 = MnNi2
# 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  2.250122518e+02 
0.98  2.058444338e+02 
1.00  1.886182738e+02 
1.02  1.729394537e+02 
1.04  1.583707495e+02 
1.06  1.452937064e+02 
1.08  1.333418589e+02 
1.10  1.223964756e+02 
1.12  1.122336070e+02 
1.14  1.028500413e+02 
1.16  9.434109323e+01 
1.18  8.651608717e+01 
1.20  7.951759387e+01 
1.22  7.290370380e+01 
1.24  6.674640945e+01 
1.26  6.118502628e+01 
1.28  5.603613112e+01 
1.30  5.134096454e+01 
1.32  4.690804385e+01 
1.34  4.297984175e+01 
1.36  3.920567868e+01 
1.38  3.574858679e+01 
1.40  3.254598844e+01 
1.42  2.959576076e+01 
1.44  2.701013189e+01 
1.46  2.464686844e+01 
1.48  2.230750863e+01 
1.50  2.015239074e+01 
1.52  1.822261336e+01 
1.54  1.648047334e+01 
1.56  1.478029878e+01 
1.58  1.324037031e+01 
1.60  1.179620000e+01 
1.62  1.046683768e+01 
1.64  9.243464260e+00 
1.66  8.171500674e+00 
1.68  7.176947156e+00 
1.70  6.216215013e+00 
1.72  5.333641046e+00 
1.74  4.596991032e+00 
1.76  3.846506135e+00 
1.78  3.158450043e+00 
1.80  2.528123423e+00 
1.82  2.023044596e+00 
1.84  1.489051870e+00 
1.86  1.093796742e+00 
1.88  6.406339359e-01 
1.90  2.277659128e-01 
1.92 -1.478434729e-01 
1.94 -4.512757088e-01 
1.96 -7.637887724e-01 
1.98 -1.046588079e+00 
2.00 -1.301925543e+00 
2.02 -1.531887076e+00 
2.04 -1.738405329e+00 
2.06 -1.923271390e+00 
2.08 -2.088145516e+00 
2.10 -2.192925623e+00 
2.12 -2.302884273e+00 
2.14 -2.421367215e+00 
2.16 -2.525002769e+00 
2.18 -2.614959168e+00 
2.20 -2.692320165e+00 
2.22 -2.758091204e+00 
2.24 -2.737715508e+00 
2.26 -2.788620673e+00 
2.28 -2.830125854e+00 
2.30 -2.863006214e+00 
2.32 -2.887980927e+00 
2.34 -2.905717173e+00 
2.36 -2.916833845e+00 
2.38 -2.921904976e+00 
2.40 -2.921462915e+00 
2.42 -2.916001278e+00 
2.44 -2.848131885e+00 
2.46 -2.837880866e+00 
2.48 -2.823621673e+00 
2.50 -2.805735990e+00 
2.52 -2.737623816e+00 
2.54 -2.716627280e+00 
2.56 -2.692783665e+00 
2.58 -2.666386974e+00 
2.60 -2.637709305e+00 
2.62 -2.607002374e+00 
2.64 -2.574498920e+00 
2.66 -2.540414023e+00 
2.68 -2.504946327e+00 
2.70 -2.468279179e+00 
2.72 -2.430581687e+00 
2.74 -2.372933295e+00 
2.76 -2.334790265e+00 
2.78 -2.295978096e+00 
2.80 -2.256622410e+00 
2.82 -2.216838657e+00 
2.84 -2.176732822e+00 
2.86 -2.136402087e+00 
2.88 -2.095935448e+00 
2.90 -2.055414288e+00 
2.92 -2.014912917e+00 
2.94 -1.974499070e+00 
2.96 -1.934234373e+00 
2.98 -1.894174780e+00 
3.00 -1.854370979e+00 
3.02 -1.814868771e+00 
3.04 -1.775709419e+00 
3.06 -1.736929986e+00 
3.08 -1.698563632e+00 
3.10 -1.660639911e+00 
3.12 -1.623185030e+00 
3.14 -1.586222102e+00 
3.16 -1.531003745e+00 
3.18 -1.496073349e+00 
3.20 -1.461635849e+00 
3.22 -1.427706871e+00 
3.24 -1.394299826e+00 
3.26 -1.361426073e+00 
3.28 -1.329095085e+00 
3.30 -1.248879335e+00 
3.32 -1.220113912e+00 
3.34 -1.191785474e+00 
3.36 -1.163903558e+00 
3.38 -1.136476152e+00 
3.40 -1.109509814e+00 
3.42 -1.083009785e+00 
3.44 -1.056980087e+00 
3.46 -1.031423626e+00 
3.48 -1.006342281e+00 
3.50 -9.817369867e-01 
3.52 -9.576078125e-01 
3.54 -9.339540382e-01 
3.56 -9.107742208e-01 
3.58 -8.880662588e-01 
3.60 -8.658274515e-01 
3.62 -8.440545547e-01 
3.64 -8.227438322e-01 
3.66 -8.018911037e-01 
3.68 -7.814917896e-01 
3.70 -7.615409523e-01 
3.72 -7.420333351e-01 
3.74 -7.229633976e-01 
3.76 -7.043253493e-01 
3.78 -6.861131799e-01 
3.80 -6.683206884e-01 
3.82 -6.509415093e-01 
3.84 -6.339691368e-01 
3.86 -5.779585829e-01 
3.88 -5.634906691e-01 
3.90 -5.493355045e-01 
3.92 -5.354894010e-01 
3.94 -5.219484935e-01 
3.96 -5.087087605e-01 
3.98 -4.957660433e-01 
4.00 -4.831160635e-01 
4.02 -4.707544396e-01 
4.04 -4.586767019e-01 
4.06 -4.468783071e-01 
4.08 -4.353546510e-01 
4.10 -4.241010809e-01 
4.12 -4.131129065e-01 
4.14 -4.023854105e-01 
4.16 -3.919138579e-01 
4.18 -3.816935051e-01 
4.20 -3.717196075e-01 
4.22 -3.619874273e-01 
4.24 -3.524922403e-01 
4.26 -3.432293416e-01 
4.28 -3.341940522e-01 
4.30 -3.253817231e-01 
4.32 -3.167877409e-01 
4.34 -3.084075316e-01 
4.36 -3.002365645e-01 
4.38 -2.922703557e-01 
4.40 -2.845044714e-01 
4.42 -2.769345305e-01 
4.44 -2.695562068e-01 
4.46 -2.623652317e-01 
4.48 -2.553573961e-01 
4.50 -2.485285514e-01 
4.52 -2.418746117e-01 
4.54 -2.353915547e-01 
4.56 -2.290754226e-01 
4.58 -2.229223232e-01 
4.60 -2.169284304e-01 
4.62 -2.110899849e-01 
4.64 -2.054032942e-01 
4.66 -1.998647332e-01 
4.68 -1.944707441e-01 
4.70 -1.892178367e-01 
4.72 -1.841025877e-01 
4.74 -1.791216412e-01 
4.76 -1.742717079e-01 
4.78 -1.695495649e-01 
4.80 -1.649520552e-01 
4.82 -1.604760875e-01 
4.84 -1.561186351e-01 
4.86 -1.518767357e-01 
4.88 -1.477474906e-01 
4.90 -1.437280640e-01 
4.92 -1.398156821e-01 
4.94 -1.360076325e-01 
4.96 -1.323012633e-01 
4.98 -1.286939824e-01 
5.00 -1.251832563e-01 
5.02 -1.217666096e-01 
5.04 -1.184416237e-01 
5.06 -1.152059362e-01 
5.08 -1.120572400e-01 
5.10 -1.089932819e-01 
5.12 -1.060118623e-01 
5.14 -1.031108337e-01 
5.16 -1.002881000e-01 
5.18 -9.754161559e-02 
5.20 -9.486938417e-02 
5.22 -9.226945804e-02 
5.24 -8.973993700e-02 
5.26 -8.727896744e-02 
5.28 -8.488474140e-02 
5.30 -8.255549564e-02 
5.32 -8.028951070e-02 
5.34 -7.808510998e-02 
5.36 -7.594065883e-02 
5.38 -7.385456366e-02 
5.40 -7.182527103e-02 
5.42 -6.985126677e-02 
5.44 -6.793107513e-02 
5.46 -5.169191912e-02 
5.48 -5.031793961e-02 
5.50 -4.897997478e-02 
5.52 -4.767710789e-02 
5.54 -4.640844403e-02 
5.56 -4.517310971e-02 
5.58 -4.397025243e-02 
5.60 -4.279904020e-02 
5.62 -4.165866120e-02 
5.64 -4.054832326e-02 
5.66 -3.946725353e-02 
5.68 -3.841469803e-02 
5.70 -3.738992125e-02 
5.72 -3.639220574e-02 
5.74 -3.542085174e-02 
5.76 -3.447517679e-02 
5.78 -3.355451530e-02 
5.80 -3.265821826e-02 
5.82 -3.178565277e-02 
5.84 -3.093620176e-02 
5.86 -3.010926358e-02 
5.88 -2.930425167e-02 
5.90 -2.852059420e-02 
5.92 -2.775773375e-02 
5.94 -2.701512694e-02 
5.96 -2.629224415e-02 
5.98 -2.558856916e-02 
6.00 -2.490359885e-02