# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Mendelev-M-I--Ni-Nb
# implementation = 2022--Mendelev-M-I--Ni-Nb--LAMMPS--ipr1
# composition = Nb2Ni
# 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 2022-05-24

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  1.234580064e+05 
1.06  1.149989693e+05 
1.08  1.071589331e+05 
1.10  9.988205491e+04 
1.12  9.311809360e+04 
1.14  8.682214815e+04 
1.16  8.095453402e+04 
1.18  7.547980543e+04 
1.20  7.036582307e+04 
1.22  6.558362641e+04 
1.24  6.110709593e+04 
1.26  5.691247975e+04 
1.28  5.297816391e+04 
1.30  4.928439732e+04 
1.32  4.581292363e+04 
1.34  4.254696216e+04 
1.36  3.947127724e+04 
1.38  3.657221415e+04 
1.40  3.383743408e+04 
1.42  3.125572316e+04 
1.44  2.881678661e+04 
1.46  2.651114412e+04 
1.48  2.433011759e+04 
1.50  2.226560039e+04 
1.52  2.030997715e+04 
1.54  1.845612579e+04 
1.56  1.671027830e+04 
1.58  1.511171857e+04 
1.60  1.364571837e+04 
1.62  1.229491778e+04 
1.64  1.104484952e+04 
1.66  9.883440786e+03 
1.68  8.800576752e+03 
1.70  7.787718054e+03 
1.72  6.837638972e+03 
1.74  5.944228053e+03 
1.76  5.102310807e+03 
1.78  4.307442971e+03 
1.80  3.555735687e+03 
1.82  2.843746776e+03 
1.84  2.213419056e+03 
1.86  1.714510671e+03 
1.88  1.321372348e+03 
1.90  1.012649618e+03 
1.92  7.711451624e+02 
1.94  5.830329756e+02 
1.96  4.372159760e+02 
1.98  3.248017790e+02 
2.00  2.386774815e+02 
2.02  1.731733775e+02 
2.04  1.237595118e+02 
2.06  8.682881858e+01 
2.08  5.951995497e+01 
2.10  3.957105359e+01 
2.12  2.520769480e+01 
2.14  1.503793479e+01 
2.16  7.971101273e+00 
2.18  3.163811019e+00 
2.20 -2.968287972e-02 
2.22 -2.097864681e+00 
2.24 -3.404570008e+00 
2.26 -4.214966522e+00 
2.28 -4.716866813e+00 
2.30 -5.038148237e+00 
2.32 -5.260894997e+00 
2.34 -5.432402666e+00 
2.36 -5.573920978e+00 
2.38 -5.692371692e+00 
2.40 -5.791526497e+00 
2.42 -5.873939122e+00 
2.44 -5.941205271e+00 
2.46 -5.994139236e+00 
2.48 -6.033295502e+00 
2.50 -6.060234577e+00 
2.52 -6.077720467e+00 
2.54 -6.089155896e+00 
2.56 -6.097066650e+00 
2.58 -6.102562853e+00 
2.60 -6.105368375e+00 
2.62 -6.104400392e+00 
2.64 -6.098757493e+00 
2.66 -6.088092687e+00 
2.68 -6.072508862e+00 
2.70 -6.052306602e+00 
2.72 -6.027851584e+00 
2.74 -5.999558507e+00 
2.76 -5.967941771e+00 
2.78 -5.933592080e+00 
2.80 -5.897031944e+00 
2.82 -5.858684266e+00 
2.84 -5.818859967e+00 
2.86 -5.777745854e+00 
2.88 -5.735421129e+00 
2.90 -5.691941763e+00 
2.92 -5.647350112e+00 
2.94 -5.601632362e+00 
2.96 -5.554686253e+00 
2.98 -5.506363260e+00 
3.00 -5.456518399e+00 
3.02 -5.404959806e+00 
3.04 -5.351381136e+00 
3.06 -5.295394654e+00 
3.08 -5.236588863e+00 
3.10 -5.174592361e+00 
3.12 -5.109186864e+00 
3.14 -5.040513009e+00 
3.16 -4.969006686e+00 
3.18 -4.895151821e+00 
3.20 -4.819442419e+00 
3.22 -4.742380641e+00 
3.24 -4.664447435e+00 
3.26 -4.586061923e+00 
3.28 -4.507582861e+00 
3.30 -4.429315712e+00 
3.32 -4.351517439e+00 
3.34 -4.274399248e+00 
3.36 -4.198129319e+00 
3.38 -4.122838968e+00 
3.40 -4.048622107e+00 
3.42 -3.975530257e+00 
3.44 -3.903566874e+00 
3.46 -3.832681356e+00 
3.48 -3.762767816e+00 
3.50 -3.693678154e+00 
3.52 -3.625234453e+00 
3.54 -3.557242012e+00 
3.56 -3.489507138e+00 
3.58 -3.421860432e+00 
3.60 -3.354186325e+00 
3.62 -3.286456952e+00 
3.64 -3.218721182e+00 
3.66 -3.151046270e+00 
3.68 -3.083498339e+00 
3.70 -3.016132746e+00 
3.72 -2.949002675e+00 
3.74 -2.882166253e+00 
3.76 -2.815685723e+00 
3.78 -2.749626331e+00 
3.80 -2.684055274e+00 
3.82 -2.619040727e+00 
3.84 -2.554650953e+00 
3.86 -2.490953505e+00 
3.88 -2.428014524e+00 
3.90 -2.365898125e+00 
3.92 -2.304665872e+00 
3.94 -2.244376335e+00 
3.96 -2.185084704e+00 
3.98 -2.126842459e+00 
4.00 -2.069697062e+00 
4.02 -2.013691658e+00 
4.04 -1.958864749e+00 
4.06 -1.905249815e+00 
4.08 -1.852874836e+00 
4.10 -1.801761699e+00 
4.12 -1.751925417e+00 
4.14 -1.703373134e+00 
4.16 -1.656102863e+00 
4.18 -1.610101894e+00 
4.20 -1.565344819e+00 
4.22 -1.521791119e+00 
4.24 -1.479382415e+00 
4.26 -1.438044188e+00 
4.28 -1.397694054e+00 
4.30 -1.358246115e+00 
4.32 -1.319614699e+00 
4.34 -1.281718863e+00 
4.36 -1.244487763e+00 
4.38 -1.207866924e+00 
4.40 -1.171825511e+00 
4.42 -1.136364643e+00 
4.44 -1.101521714e+00 
4.46 -1.067343406e+00 
4.48 -1.033864799e+00 
4.50 -1.001109998e+00 
4.52 -9.690939036e-01 
4.54 -9.378237960e-01 
4.56 -9.073007674e-01 
4.58 -8.775209914e-01 
4.60 -8.484768416e-01 
4.62 -8.201578680e-01 
4.64 -7.925516314e-01 
4.66 -7.656444067e-01 
4.68 -7.394217521e-01 
4.70 -7.138689651e-01 
4.72 -6.889714140e-01 
4.74 -6.647147587e-01 
4.76 -6.410850731e-01 
4.78 -6.180688344e-01 
4.80 -5.956528624e-01 
4.82 -5.738241220e-01 
4.84 -5.525694825e-01 
4.86 -5.318753062e-01 
4.88 -5.117270852e-01 
4.90 -4.921089106e-01 
4.92 -4.730028871e-01 
4.94 -4.543884970e-01 
4.96 -4.362419096e-01 
4.98 -4.185352069e-01 
5.00 -4.012355462e-01 
5.02 -3.843049632e-01 
5.04 -3.677073943e-01 
5.06 -3.514153944e-01 
5.08 -3.354085164e-01 
5.10 -3.196745487e-01 
5.12 -3.042073203e-01 
5.14 -2.890043593e-01 
5.16 -2.740731295e-01 
5.18 -2.594180825e-01 
5.20 -2.450576981e-01 
5.22 -2.310102713e-01 
5.24 -2.172836882e-01 
5.26 -2.039368997e-01 
5.28 -1.907584269e-01 
5.30 -1.778707377e-01 
5.32 -1.657583139e-01 
5.34 -1.547647712e-01 
5.36 -1.451112889e-01 
5.38 -1.357374265e-01 
5.40 -1.256691736e-01 
5.42 -1.146366888e-01 
5.44 -1.029450823e-01 
5.46 -9.096994701e-02 
5.48 -7.876272032e-02 
5.50 -6.626440963e-02 
5.52 -5.362198004e-02 
5.54 -4.107837155e-02 
5.56 -2.898497187e-02 
5.58 -1.801559482e-02 
5.60 -8.574167722e-03 
5.62 -8.118961082e-04 
5.64  5.279410391e-03 
5.66  9.802435375e-03 
5.68  1.291049166e-02 
5.70  1.477890845e-02 
5.72  1.558720585e-02 
5.74  1.550867613e-02 
5.76  1.470486578e-02 
5.78  1.332314684e-02 
5.80  1.149610766e-02 
5.82  9.341907321e-03 
5.84  6.965045543e-03 
5.86  4.457222945e-03 
5.88  1.898121205e-03 
5.90 -6.439646126e-04 
5.92 -3.111645800e-03 
5.94 -5.458080741e-03 
5.96 -7.646689784e-03 
5.98 -9.650894401e-03 
6.00 -1.145400978e-02