# 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 = TaW2
# 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  3.565431360e+02 
0.98  3.278922291e+02 
1.00  3.017578135e+02 
1.02  2.779896719e+02 
1.04  2.562787856e+02 
1.06  2.367124327e+02 
1.08  2.194227495e+02 
1.10  2.036713944e+02 
1.12  1.888279196e+02 
1.14  1.755496439e+02 
1.16  1.635331169e+02 
1.18  1.525753091e+02 
1.20  1.423894369e+02 
1.22  1.328238731e+02 
1.24  1.237630937e+02 
1.26  1.151880689e+02 
1.28  1.071682130e+02 
1.30  9.991813612e+01 
1.32  9.333387032e+01 
1.34  8.729885790e+01 
1.36  8.156874652e+01 
1.38  7.628592017e+01 
1.40  7.149320513e+01 
1.42  6.702379667e+01 
1.44  6.274863400e+01 
1.46  5.867229264e+01 
1.48  5.488471265e+01 
1.50  5.133638121e+01 
1.52  4.793303422e+01 
1.54  4.464526204e+01 
1.56  4.157115165e+01 
1.58  3.875596798e+01 
1.60  3.614383937e+01 
1.62  3.366202030e+01 
1.64  3.131451158e+01 
1.66  2.915896793e+01 
1.68  2.719527060e+01 
1.70  2.534730704e+01 
1.72  2.350021804e+01 
1.74  2.149466340e+01 
1.76  1.958942717e+01 
1.78  1.780240784e+01 
1.80  1.612151037e+01 
1.82  1.457841577e+01 
1.84  1.315947163e+01 
1.86  1.185392655e+01 
1.88  1.067627685e+01 
1.90  9.628054254e+00 
1.92  8.695116264e+00 
1.94  7.858254747e+00 
1.96  7.059720597e+00 
1.98  6.273823126e+00 
2.00  5.494216627e+00 
2.02  4.739908016e+00 
2.04  4.021395344e+00 
2.06  3.349606351e+00 
2.08  2.736430931e+00 
2.10  2.168348919e+00 
2.12  1.636113408e+00 
2.14  1.124726914e+00 
2.16  6.287712226e-01 
2.18 -3.229511418e-02 
2.20 -7.121817422e-01 
2.22 -1.323788376e+00 
2.24 -1.833510254e+00 
2.26 -2.228571712e+00 
2.28 -2.543293805e+00 
2.30 -2.933013118e+00 
2.32 -3.438190137e+00 
2.34 -3.951372030e+00 
2.36 -4.437971221e+00 
2.38 -4.889051213e+00 
2.40 -5.310729692e+00 
2.42 -5.699236826e+00 
2.44 -5.984958424e+00 
2.46 -6.217146776e+00 
2.48 -6.413067180e+00 
2.50 -6.598698411e+00 
2.52 -6.787036516e+00 
2.54 -6.971830307e+00 
2.56 -7.140255605e+00 
2.58 -7.275006216e+00 
2.60 -7.343657686e+00 
2.62 -7.394196324e+00 
2.64 -7.416411458e+00 
2.66 -7.437131839e+00 
2.68 -7.459269274e+00 
2.70 -7.477666268e+00 
2.72 -7.486780869e+00 
2.74 -7.483442711e+00 
2.76 -7.469614564e+00 
2.78 -7.448843703e+00 
2.80 -7.423534197e+00 
2.82 -7.395917296e+00 
2.84 -7.364548067e+00 
2.86 -7.328184700e+00 
2.88 -7.290023463e+00 
2.90 -7.257953177e+00 
2.92 -7.230260486e+00 
2.94 -7.188041295e+00 
2.96 -7.120751636e+00 
2.98 -7.021980319e+00 
3.00 -6.903755428e+00 
3.02 -6.794095969e+00 
3.04 -6.723701497e+00 
3.06 -6.690438180e+00 
3.08 -6.664935949e+00 
3.10 -6.616464392e+00 
3.12 -6.529683414e+00 
3.14 -6.418893368e+00 
3.16 -6.309190497e+00 
3.18 -6.217609948e+00 
3.20 -6.145296133e+00 
3.22 -6.081645824e+00 
3.24 -6.016751110e+00 
3.26 -5.940053501e+00 
3.28 -5.853228089e+00 
3.30 -5.783437925e+00 
3.32 -5.708865896e+00 
3.34 -5.597869009e+00 
3.36 -5.377944534e+00 
3.38 -5.166496628e+00 
3.40 -4.981758915e+00 
3.42 -4.828565350e+00 
3.44 -4.698100026e+00 
3.46 -4.579861583e+00 
3.48 -4.463848063e+00 
3.50 -4.350938125e+00 
3.52 -4.251246211e+00 
3.54 -4.178367997e+00 
3.56 -4.147752559e+00 
3.58 -4.156413426e+00 
3.60 -4.182054504e+00 
3.62 -4.201520316e+00 
3.64 -4.192401307e+00 
3.66 -4.147433455e+00 
3.68 -4.080582590e+00 
3.70 -4.008553893e+00 
3.72 -3.948837931e+00 
3.74 -3.910690552e+00 
3.76 -3.886881187e+00 
3.78 -3.866402018e+00 
3.80 -3.836825107e+00 
3.82 -3.785339060e+00 
3.84 -3.703362184e+00 
3.86 -3.599583073e+00 
3.88 -3.494219615e+00 
3.90 -3.317783020e+00 
3.92 -3.155836279e+00 
3.94 -3.017781793e+00 
3.96 -2.889089972e+00 
3.98 -2.789704746e+00 
4.00 -2.709177239e+00 
4.02 -2.634002840e+00 
4.04 -2.560633396e+00 
4.06 -2.488790620e+00 
4.08 -2.417473411e+00 
4.10 -2.346070370e+00 
4.12 -2.274832045e+00 
4.14 -2.206044093e+00 
4.16 -2.142321661e+00 
4.18 -2.086522768e+00 
4.20 -2.041586266e+00 
4.22 -2.009094973e+00 
4.24 -1.988543551e+00 
4.26 -1.978621646e+00 
4.28 -1.977911277e+00 
4.30 -1.984853068e+00 
4.32 -1.997758991e+00 
4.34 -2.014978337e+00 
4.36 -2.034636787e+00 
4.38 -2.054882629e+00 
4.40 -2.073835006e+00 
4.42 -2.089577585e+00 
4.44 -2.100156641e+00 
4.46 -2.103869566e+00 
4.48 -2.100893813e+00 
4.50 -2.093387916e+00 
4.52 -2.083776887e+00 
4.54 -2.074540917e+00 
4.56 -2.068224425e+00 
4.58 -2.066775613e+00 
4.60 -2.070705515e+00 
4.62 -2.078687408e+00 
4.64 -2.087803299e+00 
4.66 -2.094967156e+00 
4.68 -2.097086732e+00 
4.70 -2.092145347e+00 
4.72 -2.079612584e+00 
4.74 -2.059528006e+00 
4.76 -2.033921491e+00 
4.78 -2.005681316e+00 
4.80 -1.977595552e+00 
4.82 -1.950641950e+00 
4.84 -1.924284791e+00 
4.86 -1.897851320e+00 
4.88 -1.870057355e+00 
4.90 -1.837991072e+00 
4.92 -1.798730398e+00 
4.94 -1.753383157e+00 
4.96 -1.705420530e+00 
4.98 -1.658713497e+00 
5.00 -1.617085979e+00 
5.02 -1.585575292e+00 
5.04 -1.569309840e+00 
5.06 -1.564759800e+00 
5.08 -1.565344895e+00 
5.10 -1.564534655e+00 
5.12 -1.556053700e+00 
5.14 -1.533430962e+00 
5.16 -1.491772776e+00 
5.18 -1.432928249e+00 
5.20 -1.359510360e+00 
5.22 -1.279061865e+00 
5.24 -1.203969317e+00 
5.26 -1.143854647e+00 
5.28 -1.095468260e+00 
5.30 -1.052312684e+00 
5.32 -1.012218172e+00 
5.34 -9.728498385e-01 
5.36 -9.299489603e-01 
5.38 -8.782432140e-01 
5.40 -8.198334355e-01 
5.42 -7.574041206e-01 
5.44 -6.939397629e-01 
5.46 -6.346075199e-01 
5.48 -5.812025916e-01 
5.50 -5.345521229e-01 
5.52 -4.957142865e-01 
5.54 -4.655844469e-01 
5.56 -4.433977099e-01 
5.58 -4.271884810e-01 
5.60 -4.149622632e-01 
5.62 -4.047257846e-01 
5.64 -3.944896355e-01 
5.66 -3.822657793e-01 
5.68 -3.665892135e-01 
5.70 -3.487258538e-01 
5.72 -3.309192360e-01 
5.74 -3.154153081e-01 
5.76 -3.044487362e-01 
5.78 -3.002699602e-01 
5.80 -3.051218095e-01 
5.82 -3.196761277e-01 
5.84 -3.409318498e-01 
5.86 -3.653176051e-01 
5.88 -3.892618098e-01 
5.90 -4.091816481e-01 
5.92 -4.214863060e-01 
5.94 -4.226811815e-01 
5.96 -4.116912900e-01 
5.98 -3.901150740e-01 
6.00 -3.597108035e-01