# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Al-Nb
# implementation = 2024--Mendelev-M-I--Ni-Al-Nb--LAMMPS--ipr1
# composition = NbNi2
# 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 2024-11-27

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  nan             
0.98  nan             
1.00  nan             
1.02  nan             
1.04  1.866834384e+05 
1.06  1.720780857e+05 
1.08  1.585408292e+05 
1.10  1.459759761e+05 
1.12  1.342979449e+05 
1.14  1.234301435e+05 
1.16  1.133041097e+05 
1.18  1.038583196e+05 
1.20  9.503710558e+04 
1.22  8.679019616e+04 
1.24  7.907209336e+04 
1.26  7.184137676e+04 
1.28  6.506027002e+04 
1.30  5.869440435e+04 
1.32  5.271241468e+04 
1.34  4.708574364e+04 
1.36  4.178851068e+04 
1.38  3.679732089e+04 
1.40  3.209080995e+04 
1.42  2.764935523e+04 
1.44  2.345491135e+04 
1.46  1.949092378e+04 
1.48  1.574220922e+04 
1.50  1.219745932e+04 
1.52  9.239217750e+03 
1.54  6.995945695e+03 
1.56  5.294466812e+03 
1.58  4.003874668e+03 
1.60  3.025091792e+03 
1.62  2.283034544e+03 
1.64  1.720738506e+03 
1.66  1.294954198e+03 
1.68  9.728240823e+02 
1.70  7.293738107e+02 
1.72  5.456180898e+02 
1.74  4.071275711e+02 
1.76  3.029479736e+02 
1.78  2.247279199e+02 
1.80  1.661127706e+02 
1.82  1.222728449e+02 
1.84  8.954214910e+01 
1.86  6.515451241e+01 
1.88  4.707487690e+01 
1.90  3.371260158e+01 
1.92  2.385852767e+01 
1.94  1.660520554e+01 
1.96  1.127319346e+01 
1.98  7.355429747e+00 
2.00  4.474940414e+00 
2.02  2.352617362e+00 
2.04  7.826073948e-01 
2.06 -3.865453538e-01 
2.08 -1.265906673e+00 
2.10 -1.936391111e+00 
2.12 -2.458577640e+00 
2.14 -2.875981269e+00 
2.16 -3.217711551e+00 
2.18 -3.503808059e+00 
2.20 -3.747706532e+00 
2.22 -3.958481338e+00 
2.24 -4.142237589e+00 
2.26 -4.302649334e+00 
2.28 -4.441651818e+00 
2.30 -4.560155591e+00 
2.32 -4.658692894e+00 
2.34 -4.737980275e+00 
2.36 -4.799234175e+00 
2.38 -4.844113104e+00 
2.40 -4.874582310e+00 
2.42 -4.892653111e+00 
2.44 -4.900129087e+00 
2.46 -4.898369528e+00 
2.48 -4.888254251e+00 
2.50 -4.869770971e+00 
2.52 -4.843258585e+00 
2.54 -4.811731869e+00 
2.56 -4.779381493e+00 
2.58 -4.748781345e+00 
2.60 -4.720737294e+00 
2.62 -4.694851435e+00 
2.64 -4.670130800e+00 
2.66 -4.645641334e+00 
2.68 -4.620778772e+00 
2.70 -4.595216746e+00 
2.72 -4.568849985e+00 
2.74 -4.541749726e+00 
2.76 -4.514102785e+00 
2.78 -4.486144793e+00 
2.80 -4.458131442e+00 
2.82 -4.430314380e+00 
2.84 -4.402917518e+00 
2.86 -4.376114119e+00 
2.88 -4.350005250e+00 
2.90 -4.324598751e+00 
2.92 -4.299789864e+00 
2.94 -4.275350679e+00 
2.96 -4.250933247e+00 
2.98 -4.226135051e+00 
3.00 -4.200543118e+00 
3.02 -4.173735769e+00 
3.04 -4.145305346e+00 
3.06 -4.114867552e+00 
3.08 -4.082095886e+00 
3.10 -4.046776213e+00 
3.12 -4.008880445e+00 
3.14 -3.968648370e+00 
3.16 -3.926479309e+00 
3.18 -3.882698271e+00 
3.20 -3.837543386e+00 
3.22 -3.791189783e+00 
3.24 -3.743770004e+00 
3.26 -3.695390674e+00 
3.28 -3.646145285e+00 
3.30 -3.596122931e+00 
3.32 -3.545412899e+00 
3.34 -3.494105063e+00 
3.36 -3.442286024e+00 
3.38 -3.390031038e+00 
3.40 -3.337391773e+00 
3.42 -3.284389238e+00 
3.44 -3.231046686e+00 
3.46 -3.177409703e+00 
3.48 -3.123543081e+00 
3.50 -3.069525824e+00 
3.52 -3.015445569e+00 
3.54 -2.961392865e+00 
3.56 -2.907455764e+00 
3.58 -2.853715267e+00 
3.60 -2.800242142e+00 
3.62 -2.747095737e+00 
3.64 -2.694325401e+00 
3.66 -2.641975185e+00 
3.68 -2.590092540e+00 
3.70 -2.538736638e+00 
3.72 -2.487965839e+00 
3.74 -2.437826897e+00 
3.76 -2.388353817e+00 
3.78 -2.339567495e+00 
3.80 -2.291475752e+00 
3.82 -2.244073758e+00 
3.84 -2.197344833e+00 
3.86 -2.151261604e+00 
3.88 -2.105787479e+00 
3.90 -2.060878408e+00 
3.92 -2.016484873e+00 
3.94 -1.972554056e+00 
3.96 -1.929032111e+00 
3.98 -1.885866464e+00 
4.00 -1.843008064e+00 
4.02 -1.800413479e+00 
4.04 -1.758046748e+00 
4.06 -1.715880860e+00 
4.08 -1.673898757e+00 
4.10 -1.632093714e+00 
4.12 -1.590468975e+00 
4.14 -1.549036481e+00 
4.16 -1.507814542e+00 
4.18 -1.466825658e+00 
4.20 -1.426100548e+00 
4.22 -1.385675363e+00 
4.24 -1.345580139e+00 
4.26 -1.305836131e+00 
4.28 -1.266466567e+00 
4.30 -1.227497642e+00 
4.32 -1.188956937e+00 
4.34 -1.150872126e+00 
4.36 -1.113269977e+00 
4.38 -1.076175598e+00 
4.40 -1.039611896e+00 
4.42 -1.003599243e+00 
4.44 -9.681552839e-01 
4.46 -9.332949080e-01 
4.48 -8.990303175e-01 
4.50 -8.653711987e-01 
4.52 -8.323249628e-01 
4.54 -7.998970430e-01 
4.56 -7.680912243e-01 
4.58 -7.369099864e-01 
4.60 -7.063548802e-01 
4.62 -6.764268442e-01 
4.64 -6.471265730e-01 
4.66 -6.184547652e-01 
4.68 -5.904124271e-01 
4.70 -5.630010746e-01 
4.72 -5.362228806e-01 
4.74 -5.100807918e-01 
4.76 -4.845785833e-01 
4.78 -4.597208462e-01 
4.80 -4.355129168e-01 
4.82 -4.119607526e-01 
4.84 -3.890707969e-01 
4.86 -3.668497139e-01 
4.88 -3.453040572e-01 
4.90 -3.244399605e-01 
4.92 -3.042632529e-01 
4.94 -2.847785269e-01 
4.96 -2.659885084e-01 
4.98 -2.478958402e-01 
5.00 -2.304987588e-01 
5.02 -2.137965488e-01 
5.04 -1.977817622e-01 
5.06 -1.824509865e-01 
5.08 -1.677880496e-01 
5.10 -1.537896215e-01 
5.12 -1.404312866e-01 
5.14 -1.276974486e-01 
5.16 -1.155967994e-01 
5.18 -1.039499527e-01 
5.20 -9.278057894e-02 
5.22 -8.238673701e-02 
5.24 -7.295689018e-02 
5.26 -6.472867987e-02 
5.28 -5.727523452e-02 
5.30 -4.989337439e-02 
5.32 -4.206257024e-02 
5.34 -3.382077640e-02 
5.36 -2.534733144e-02 
5.38 -1.686482998e-02 
5.40 -8.368642702e-03 
5.42  1.968669571e-04 
5.44  8.769658322e-03 
5.46  1.722205058e-02 
5.48  2.542109051e-02 
5.50  3.303711987e-02 
5.52  3.973375357e-02 
5.54  4.534439667e-02 
5.56  4.981734105e-02 
5.58  5.317520503e-02 
5.60  5.548607665e-02 
5.62  5.684345488e-02 
5.64  5.735269829e-02 
5.66  5.712219732e-02 
5.68  5.625790007e-02 
5.70  5.486015497e-02 
5.72  5.302210049e-02 
5.74  5.082904180e-02 
5.76  4.835841743e-02 
5.78  4.568008334e-02 
5.80  4.285673475e-02 
5.82  3.994435452e-02 
5.84  3.699262443e-02 
5.86  3.404526954e-02 
5.88  3.114032652e-02 
5.90  2.831034046e-02 
5.92  2.558250111e-02 
5.94  2.297873279e-02 
5.96  2.051575198e-02 
5.98  1.820510531e-02 
6.00  1.605319842e-02