# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta
# implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1
# composition = TiW2
# 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 2025-12-17

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  4.947933912e+02 
0.98  4.478475583e+02 
1.00  4.061361107e+02 
1.02  3.677607840e+02 
1.04  3.330400139e+02 
1.06  3.021007854e+02 
1.08  2.746006648e+02 
1.10  2.495993154e+02 
1.12  2.268975028e+02 
1.14  2.058239075e+02 
1.16  1.865512344e+02 
1.18  1.692872209e+02 
1.20  1.536477501e+02 
1.22  1.393897670e+02 
1.24  1.263701646e+02 
1.26  1.146100225e+02 
1.28  1.040085640e+02 
1.30  9.442609255e+01 
1.32  8.562368239e+01 
1.34  7.749350878e+01 
1.36  7.004686916e+01 
1.38  6.349257221e+01 
1.40  5.754741716e+01 
1.42  5.219879173e+01 
1.44  4.748677136e+01 
1.46  4.330168618e+01 
1.48  3.951229856e+01 
1.50  3.595130239e+01 
1.52  3.254153221e+01 
1.54  2.933608178e+01 
1.56  2.632342744e+01 
1.58  2.349467742e+01 
1.60  2.087539220e+01 
1.62  1.854086449e+01 
1.64  1.649779530e+01 
1.66  1.464499472e+01 
1.68  1.287266074e+01 
1.70  1.120901157e+01 
1.72  9.766252961e+00 
1.74  8.539130998e+00 
1.76  7.416097247e+00 
1.78  6.347451018e+00 
1.80  5.328944564e+00 
1.82  4.376904849e+00 
1.84  3.553743475e+00 
1.86  2.885976651e+00 
1.88  2.341890200e+00 
1.90  1.880593732e+00 
1.92  1.529603210e+00 
1.94  1.327104336e+00 
1.96  1.208071482e+00 
1.98  1.074832104e+00 
2.00  8.709677348e-01 
2.02  6.364009262e-01 
2.04  2.578200231e-01 
2.06 -2.899797446e-01 
2.08 -7.365800094e-01 
2.10 -1.171771336e+00 
2.12 -1.616358028e+00 
2.14 -2.001985543e+00 
2.16 -2.294365103e+00 
2.18 -2.536075005e+00 
2.20 -2.788654998e+00 
2.22 -3.028577569e+00 
2.24 -3.211898513e+00 
2.26 -3.484426561e+00 
2.28 -3.812006429e+00 
2.30 -4.080127568e+00 
2.32 -4.357152104e+00 
2.34 -4.659680640e+00 
2.36 -4.985050990e+00 
2.38 -5.321596281e+00 
2.40 -5.583853600e+00 
2.42 -5.759547231e+00 
2.44 -5.870591784e+00 
2.46 -5.979795902e+00 
2.48 -6.095125935e+00 
2.50 -6.178306266e+00 
2.52 -6.216351661e+00 
2.54 -6.273778482e+00 
2.56 -6.306179935e+00 
2.58 -6.330499883e+00 
2.60 -6.348884000e+00 
2.62 -6.371448043e+00 
2.64 -6.414058083e+00 
2.66 -6.460792075e+00 
2.68 -6.495952969e+00 
2.70 -6.510569733e+00 
2.72 -6.507720305e+00 
2.74 -6.497482542e+00 
2.76 -6.489603376e+00 
2.78 -6.487528106e+00 
2.80 -6.487980457e+00 
2.82 -6.487387507e+00 
2.84 -6.484543151e+00 
2.86 -6.465957700e+00 
2.88 -6.424475807e+00 
2.90 -6.377882911e+00 
2.92 -6.336174018e+00 
2.94 -6.294529830e+00 
2.96 -6.231073764e+00 
2.98 -6.156258787e+00 
3.00 -6.077011303e+00 
3.02 -6.003592452e+00 
3.04 -5.948079811e+00 
3.06 -5.909973403e+00 
3.08 -5.879367596e+00 
3.10 -5.851308401e+00 
3.12 -5.808752520e+00 
3.14 -5.749725729e+00 
3.16 -5.680014431e+00 
3.18 -5.600324546e+00 
3.20 -5.519762097e+00 
3.22 -5.445494248e+00 
3.24 -5.377667637e+00 
3.26 -5.305132689e+00 
3.28 -5.221034779e+00 
3.30 -5.126509391e+00 
3.32 -5.043617850e+00 
3.34 -4.964805504e+00 
3.36 -4.783254158e+00 
3.38 -4.529892076e+00 
3.40 -4.295629484e+00 
3.42 -4.086705995e+00 
3.44 -3.895589977e+00 
3.46 -3.712405580e+00 
3.48 -3.526572164e+00 
3.50 -3.338047968e+00 
3.52 -3.157018836e+00 
3.54 -2.999576157e+00 
3.56 -2.887443602e+00 
3.58 -2.823132786e+00 
3.60 -2.783484917e+00 
3.62 -2.740567963e+00 
3.64 -2.664427579e+00 
3.66 -2.542820609e+00 
3.68 -2.393277612e+00 
3.70 -2.239858818e+00 
3.72 -2.118427855e+00 
3.74 -2.053445904e+00 
3.76 -2.033205693e+00 
3.78 -2.035230131e+00 
3.80 -2.043488477e+00 
3.82 -2.053464747e+00 
3.84 -2.059455074e+00 
3.86 -2.059544929e+00 
3.88 -2.053470756e+00 
3.90 -2.043483253e+00 
3.92 -2.036945476e+00 
3.94 -2.025643442e+00 
3.96 -2.012918772e+00 
3.98 -2.012349193e+00 
4.00 -2.021893394e+00 
4.02 -2.034862522e+00 
4.04 -2.046434896e+00 
4.06 -2.052302842e+00 
4.08 -2.048859974e+00 
4.10 -2.034511680e+00 
4.12 -2.012406581e+00 
4.14 -1.987765784e+00 
4.16 -1.964619057e+00 
4.18 -1.946051376e+00 
4.20 -1.934403303e+00 
4.22 -1.930925801e+00 
4.24 -1.935203348e+00 
4.26 -1.945408949e+00 
4.28 -1.959807150e+00 
4.30 -1.976968844e+00 
4.32 -1.995784789e+00 
4.34 -2.014710605e+00 
4.36 -2.032749406e+00 
4.38 -2.048875181e+00 
4.40 -2.061937412e+00 
4.42 -2.070739572e+00 
4.44 -2.074127659e+00 
4.46 -2.071350430e+00 
4.48 -2.063110970e+00 
4.50 -2.051251578e+00 
4.52 -2.037705958e+00 
4.54 -2.024342633e+00 
4.56 -2.012945580e+00 
4.58 -2.004454051e+00 
4.60 -1.998008288e+00 
4.62 -1.991655553e+00 
4.64 -1.982892623e+00 
4.66 -1.969541874e+00 
4.68 -1.949807589e+00 
4.70 -1.923224992e+00 
4.72 -1.891030058e+00 
4.74 -1.854787405e+00 
4.76 -1.816472305e+00 
4.78 -1.778282297e+00 
4.80 -1.742171221e+00 
4.82 -1.707705908e+00 
4.84 -1.672243123e+00 
4.86 -1.632857066e+00 
4.88 -1.586377112e+00 
4.90 -1.529287405e+00 
4.92 -1.460369164e+00 
4.94 -1.387461465e+00 
4.96 -1.322122505e+00 
4.98 -1.264002672e+00 
5.00 -1.209923398e+00 
5.02 -1.174744279e+00 
5.04 -1.175270432e+00 
5.06 -1.201003313e+00 
5.08 -1.232298776e+00 
5.10 -1.256875747e+00 
5.12 -1.268603183e+00 
5.14 -1.261387289e+00 
5.16 -1.230733953e+00 
5.18 -1.176387683e+00 
5.20 -1.090749808e+00 
5.22 -9.640424518e-01 
5.24 -8.161823838e-01 
5.26 -7.000816419e-01 
5.28 -6.270021616e-01 
5.30 -5.877860220e-01 
5.32 -5.714533033e-01 
5.34 -5.669497987e-01 
5.36 -5.631185566e-01 
5.38 -5.512075334e-01 
5.40 -5.348997657e-01 
5.42 -5.150755456e-01 
5.44 -4.921969591e-01 
5.46 -4.669201710e-01 
5.48 -4.400350939e-01 
5.50 -4.124229834e-01 
5.52 -3.850210017e-01 
5.54 -3.587452847e-01 
5.56 -3.336722599e-01 
5.58 -3.091071202e-01 
5.60 -2.842756335e-01 
5.62 -2.583644333e-01 
5.64 -2.305298791e-01 
5.66 -1.999199619e-01 
5.68 -1.660451497e-01 
5.70 -1.304095311e-01 
5.72 -9.534597336e-02 
5.74 -6.319947959e-02 
5.76 -3.623604314e-02 
5.78 -1.666879073e-02 
5.80 -6.671049910e-03 
5.82 -7.257825978e-03 
5.84 -1.644079745e-02 
5.86 -3.169478616e-02 
5.88 -5.046250809e-02 
5.90 -7.021743331e-02 
5.92 -8.853984335e-02 
5.94 -1.031029610e-01 
5.96 -1.125347912e-01 
5.98 -1.169487701e-01 
6.00 -1.165685654e-01