# 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 = TaTi2
# 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  4.216783704e+02 
0.98  3.807006821e+02 
1.00  3.422535630e+02 
1.02  3.065311294e+02 
1.04  2.730233949e+02 
1.06  2.418302240e+02 
1.08  2.130401669e+02 
1.10  1.869470849e+02 
1.12  1.634406280e+02 
1.14  1.427297009e+02 
1.16  1.244613302e+02 
1.18  1.085157428e+02 
1.20  9.539819101e+01 
1.22  8.476645657e+01 
1.24  7.598272994e+01 
1.26  6.928265964e+01 
1.28  6.490683690e+01 
1.30  6.143091351e+01 
1.32  5.791742899e+01 
1.34  5.447475574e+01 
1.36  5.132151279e+01 
1.38  4.835470873e+01 
1.40  4.536530903e+01 
1.42  4.218408254e+01 
1.44  3.895132144e+01 
1.46  3.585370734e+01 
1.48  3.293921266e+01 
1.50  3.025758719e+01 
1.52  2.787839910e+01 
1.54  2.568815178e+01 
1.56  2.358002184e+01 
1.58  2.153483022e+01 
1.60  1.959599367e+01 
1.62  1.780709919e+01 
1.64  1.619180754e+01 
1.66  1.471414889e+01 
1.68  1.329890430e+01 
1.70  1.188094967e+01 
1.72  1.047279354e+01 
1.74  9.162628906e+00 
1.76  8.040180308e+00 
1.78  7.039622468e+00 
1.80  6.106127555e+00 
1.82  5.259775283e+00 
1.84  4.512240061e+00 
1.86  3.871186494e+00 
1.88  3.321925554e+00 
1.90  2.707261850e+00 
1.92  2.160989247e+00 
1.94  1.663942478e+00 
1.96  1.234112657e+00 
1.98  9.233256812e-01 
2.00  7.461595988e-01 
2.02  6.352856112e-01 
2.04  5.210837426e-01 
2.06  3.655757013e-01 
2.08  1.836179039e-01 
2.10 -3.245409901e-02 
2.12 -5.592832964e-01 
2.14 -1.020857017e+00 
2.16 -1.434586334e+00 
2.18 -1.816851574e+00 
2.20 -2.187991195e+00 
2.22 -2.547244387e+00 
2.24 -2.880061419e+00 
2.26 -3.175986188e+00 
2.28 -3.418233846e+00 
2.30 -3.636931958e+00 
2.32 -3.813218895e+00 
2.34 -3.951097544e+00 
2.36 -4.065761562e+00 
2.38 -4.167755174e+00 
2.40 -4.279564329e+00 
2.42 -4.417153754e+00 
2.44 -4.574033526e+00 
2.46 -4.748799126e+00 
2.48 -4.879863787e+00 
2.50 -4.987653791e+00 
2.52 -5.086499134e+00 
2.54 -5.165771790e+00 
2.56 -5.229932603e+00 
2.58 -5.276630729e+00 
2.60 -5.306171147e+00 
2.62 -5.319735465e+00 
2.64 -5.322346037e+00 
2.66 -5.312045252e+00 
2.68 -5.292961499e+00 
2.70 -5.275999458e+00 
2.72 -5.260532947e+00 
2.74 -5.244248069e+00 
2.76 -5.224415677e+00 
2.78 -5.201165578e+00 
2.80 -5.174928693e+00 
2.82 -5.144434188e+00 
2.84 -5.114039356e+00 
2.86 -5.087516230e+00 
2.88 -5.056280478e+00 
2.90 -5.017826445e+00 
2.92 -4.976834322e+00 
2.94 -4.925156103e+00 
2.96 -4.849483120e+00 
2.98 -4.755728865e+00 
3.00 -4.661629316e+00 
3.02 -4.573005907e+00 
3.04 -4.491488153e+00 
3.06 -4.415771454e+00 
3.08 -4.343032366e+00 
3.10 -4.271379597e+00 
3.12 -4.197030334e+00 
3.14 -4.120932536e+00 
3.16 -4.046880897e+00 
3.18 -3.976374099e+00 
3.20 -3.911058497e+00 
3.22 -3.852788389e+00 
3.24 -3.803376478e+00 
3.26 -3.756718304e+00 
3.28 -3.707919588e+00 
3.30 -3.656411544e+00 
3.32 -3.601198059e+00 
3.34 -3.541522470e+00 
3.36 -3.477168170e+00 
3.38 -3.408579608e+00 
3.40 -3.338469485e+00 
3.42 -3.269913187e+00 
3.44 -3.197851060e+00 
3.46 -3.109133561e+00 
3.48 -2.997539870e+00 
3.50 -2.879332422e+00 
3.52 -2.772916688e+00 
3.54 -2.678835806e+00 
3.56 -2.590959065e+00 
3.58 -2.506834614e+00 
3.60 -2.429637555e+00 
3.62 -2.362104292e+00 
3.64 -2.305752980e+00 
3.66 -2.260045505e+00 
3.68 -2.221239008e+00 
3.70 -2.184794916e+00 
3.72 -2.146766979e+00 
3.74 -2.106782253e+00 
3.76 -2.070056373e+00 
3.78 -2.042353075e+00 
3.80 -2.028543158e+00 
3.82 -2.019013421e+00 
3.84 -2.007955857e+00 
3.86 -1.994893201e+00 
3.88 -1.979530593e+00 
3.90 -1.961830759e+00 
3.92 -1.941847301e+00 
3.94 -1.919557918e+00 
3.96 -1.894721691e+00 
3.98 -1.866851622e+00 
4.00 -1.835320253e+00 
4.02 -1.799445002e+00 
4.04 -1.758448561e+00 
4.06 -1.712225240e+00 
4.08 -1.662318940e+00 
4.10 -1.611168467e+00 
4.12 -1.561080599e+00 
4.14 -1.514063762e+00 
4.16 -1.471296560e+00 
4.18 -1.433212950e+00 
4.20 -1.400306737e+00 
4.22 -1.371968504e+00 
4.24 -1.347275201e+00 
4.26 -1.325539133e+00 
4.28 -1.306171769e+00 
4.30 -1.288637849e+00 
4.32 -1.272499613e+00 
4.34 -1.257437186e+00 
4.36 -1.243361994e+00 
4.38 -1.230226177e+00 
4.40 -1.217947280e+00 
4.42 -1.206403072e+00 
4.44 -1.195423011e+00 
4.46 -1.184621331e+00 
4.48 -1.173477714e+00 
4.50 -1.161932273e+00 
4.52 -1.149931627e+00 
4.54 -1.137390081e+00 
4.56 -1.124198060e+00 
4.58 -1.110319411e+00 
4.60 -1.095850341e+00 
4.62 -1.080815333e+00 
4.64 -1.065183520e+00 
4.66 -1.048926318e+00 
4.68 -1.032020841e+00 
4.70 -1.014569658e+00 
4.72 -9.967978982e-01 
4.74 -9.788925894e-01 
4.76 -9.608609022e-01 
4.78 -9.426576287e-01 
4.80 -9.242320308e-01 
4.82 -9.054022818e-01 
4.84 -8.859073394e-01 
4.86 -8.654831078e-01 
4.88 -8.438188607e-01 
4.90 -8.204883355e-01 
4.92 -7.950718599e-01 
4.94 -7.673896830e-01 
4.96 -7.373408886e-01 
4.98 -7.048085005e-01 
5.00 -6.696963052e-01 
5.02 -6.326514955e-01 
5.04 -5.950471387e-01 
5.06 -5.581969936e-01 
5.08 -5.234412350e-01 
5.10 -4.921596921e-01 
5.12 -4.657505210e-01 
5.14 -4.454211836e-01 
5.16 -4.306233131e-01 
5.18 -4.194661498e-01 
5.20 -4.099540148e-01 
5.22 -4.000796991e-01 
5.24 -3.878248616e-01 
5.26 -3.711914986e-01 
5.28 -3.496334223e-01 
5.30 -3.248493699e-01 
5.32 -2.988131755e-01 
5.34 -2.735324174e-01 
5.36 -2.510315887e-01 
5.38 -2.322555402e-01 
5.40 -2.145929957e-01 
5.42 -1.980096246e-01 
5.44 -1.826293975e-01 
5.46 -1.685537005e-01 
5.48 -1.558873502e-01 
5.50 -1.447362704e-01 
5.52 -1.352055656e-01 
5.54 -1.273737622e-01 
5.56 -1.210185857e-01 
5.58 -1.157277679e-01 
5.60 -1.110862133e-01 
5.62 -1.066802354e-01 
5.64 -1.020976641e-01 
5.66 -9.691902796e-02 
5.68 -9.085663817e-02 
5.70 -8.428305254e-02 
5.72 -7.777793907e-02 
5.74 -7.191914302e-02 
5.76 -6.727130081e-02 
5.78 -6.437938526e-02 
5.80 -6.376407813e-02 
5.82 -6.555642387e-02 
5.84 -6.916075659e-02 
5.86 -7.391068954e-02 
5.88 -7.915976906e-02 
5.90 -8.428525231e-02 
5.92 -8.868578618e-02 
5.94 -9.178397236e-02 
5.96 -9.324111095e-02 
5.98 -9.288745002e-02 
6.00 -9.051679250e-02