# 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 = Al2Nb
# 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  6.306473436e+05 
1.06  5.857047682e+05 
1.08  5.440405888e+05 
1.10  5.053622956e+05 
1.12  4.694088288e+05 
1.14  4.359458659e+05 
1.16  4.047625725e+05 
1.18  3.756687714e+05 
1.20  3.484929148e+05 
1.22  3.230804711e+05 
1.24  2.992915433e+05 
1.26  2.769994210e+05 
1.28  2.560891686e+05 
1.30  2.364558964e+05 
1.32  2.180038096e+05 
1.34  2.006455799e+05 
1.36  1.843016054e+05 
1.38  1.688991750e+05 
1.40  1.543718293e+05 
1.42  1.406589128e+05 
1.44  1.277050392e+05 
1.46  1.154591472e+05 
1.48  1.038740897e+05 
1.50  9.290645456e+04 
1.52  8.251643746e+04 
1.54  7.266750156e+04 
1.56  6.332574359e+04 
1.58  5.445955397e+04 
1.60  4.603946236e+04 
1.62  3.803799757e+04 
1.64  3.042960747e+04 
1.66  2.336342206e+04 
1.68  1.778176311e+04 
1.70  1.351081476e+04 
1.72  1.024566512e+04 
1.74  7.752223599e+03 
1.76  5.850687999e+03 
1.78  4.402915935e+03 
1.80  3.302752283e+03 
1.82  2.468610361e+03 
1.84  1.837790091e+03 
1.86  1.362120636e+03 
1.88  1.004606100e+03 
1.90  7.368627976e+02 
1.92  5.371511169e+02 
1.94  3.888798875e+02 
1.96  2.793880341e+02 
1.98  1.989833717e+02 
2.00  1.403037986e+02 
2.02  9.777353172e+01 
2.04  6.718323196e+01 
2.06  4.536662055e+01 
2.08  2.995190188e+01 
2.10  1.917108308e+01 
2.12  1.171238487e+01 
2.14  6.610210921e+00 
2.16  3.160674601e+00 
2.18  8.544465026e-01 
2.20 -6.732054936e-01 
2.22 -1.680434320e+00 
2.24 -2.347393008e+00 
2.26 -2.797258216e+00 
2.28 -3.112206592e+00 
2.30 -3.345403727e+00 
2.32 -3.529837680e+00 
2.34 -3.684918933e+00 
2.36 -3.821328647e+00 
2.38 -3.944415061e+00 
2.40 -4.056565417e+00 
2.42 -4.158770398e+00 
2.44 -4.251469605e+00 
2.46 -4.334841647e+00 
2.48 -4.408900159e+00 
2.50 -4.473631011e+00 
2.52 -4.528991064e+00 
2.54 -4.575064007e+00 
2.56 -4.612265917e+00 
2.58 -4.641327725e+00 
2.60 -4.663213723e+00 
2.62 -4.678932198e+00 
2.64 -4.689234705e+00 
2.66 -4.694645475e+00 
2.68 -4.695562842e+00 
2.70 -4.692326646e+00 
2.72 -4.685269529e+00 
2.74 -4.674772961e+00 
2.76 -4.661226810e+00 
2.78 -4.644919532e+00 
2.80 -4.625970525e+00 
2.82 -4.604481458e+00 
2.84 -4.580616515e+00 
2.86 -4.554610107e+00 
2.88 -4.526761953e+00 
2.90 -4.497412790e+00 
2.92 -4.466916673e+00 
2.94 -4.435600693e+00 
2.96 -4.403746677e+00 
2.98 -4.371536394e+00 
3.00 -4.338996065e+00 
3.02 -4.306005963e+00 
3.04 -4.272356049e+00 
3.06 -4.237803085e+00 
3.08 -4.202126210e+00 
3.10 -4.165192369e+00 
3.12 -4.127036814e+00 
3.14 -4.087948399e+00 
3.16 -4.048362305e+00 
3.18 -4.008626390e+00 
3.20 -3.968985758e+00 
3.22 -3.929601907e+00 
3.24 -3.890567560e+00 
3.26 -3.851916974e+00 
3.28 -3.813637463e+00 
3.30 -3.775691345e+00 
3.32 -3.738028994e+00 
3.34 -3.700596555e+00 
3.36 -3.663341977e+00 
3.38 -3.626219405e+00 
3.40 -3.589192096e+00 
3.42 -3.552234049e+00 
3.44 -3.515330476e+00 
3.46 -3.478477268e+00 
3.48 -3.441679592e+00 
3.50 -3.404949709e+00 
3.52 -3.368304247e+00 
3.54 -3.331762123e+00 
3.56 -3.295343380e+00 
3.58 -3.259067855e+00 
3.60 -3.222953861e+00 
3.62 -3.187017010e+00 
3.64 -3.151269212e+00 
3.66 -3.115717916e+00 
3.68 -3.080365605e+00 
3.70 -3.045209340e+00 
3.72 -3.010239506e+00 
3.74 -2.975439322e+00 
3.76 -2.940785214e+00 
3.78 -2.906247453e+00 
3.80 -2.871790986e+00 
3.82 -2.837376419e+00 
3.84 -2.802961080e+00 
3.86 -2.768500094e+00 
3.88 -2.733947392e+00 
3.90 -2.699256533e+00 
3.92 -2.664381259e+00 
3.94 -2.629275643e+00 
3.96 -2.593893703e+00 
3.98 -2.558188333e+00 
4.00 -2.522110112e+00 
4.02 -2.485613461e+00 
4.04 -2.448665798e+00 
4.06 -2.411250351e+00 
4.08 -2.373367808e+00 
4.10 -2.335037386e+00 
4.12 -2.296297195e+00 
4.14 -2.257203757e+00 
4.16 -2.217830515e+00 
4.18 -2.178264045e+00 
4.20 -2.138591703e+00 
4.22 -2.098889365e+00 
4.24 -2.059212885e+00 
4.26 -2.019598670e+00 
4.28 -1.980077196e+00 
4.30 -1.940676348e+00 
4.32 -1.901421776e+00 
4.34 -1.862337193e+00 
4.36 -1.823444645e+00 
4.38 -1.784764735e+00 
4.40 -1.746316822e+00 
4.42 -1.708119186e+00 
4.44 -1.670189162e+00 
4.46 -1.632543253e+00 
4.48 -1.595197223e+00 
4.50 -1.558166159e+00 
4.52 -1.521464529e+00 
4.54 -1.485106213e+00 
4.56 -1.449104526e+00 
4.58 -1.413472226e+00 
4.60 -1.378221518e+00 
4.62 -1.343364041e+00 
4.64 -1.308910857e+00 
4.66 -1.274872428e+00 
4.68 -1.241258601e+00 
4.70 -1.208078573e+00 
4.72 -1.175340875e+00 
4.74 -1.143053342e+00 
4.76 -1.111223092e+00 
4.78 -1.079856505e+00 
4.80 -1.048959207e+00 
4.82 -1.018536060e+00 
4.84 -9.885911425e-01 
4.86 -9.591277654e-01 
4.88 -9.301484645e-01 
4.90 -9.016549991e-01 
4.92 -8.736483976e-01 
4.94 -8.461289663e-01 
4.96 -8.190963082e-01 
4.98 -7.925493698e-01 
5.00 -7.664864864e-01 
5.02 -7.409054283e-01 
5.04 -7.158034686e-01 
5.06 -6.911774551e-01 
5.08 -6.670238436e-01 
5.10 -6.433387272e-01 
5.12 -6.201179224e-01 
5.14 -5.973574462e-01 
5.16 -5.750528826e-01 
5.18 -5.531995109e-01 
5.20 -5.317940904e-01 
5.22 -5.108311064e-01 
5.24 -4.903087382e-01 
5.26 -4.702207123e-01 
5.28 -4.505681188e-01 
5.30 -4.313419308e-01 
5.32 -4.125473653e-01 
5.34 -3.941768035e-01 
5.36 -3.762235543e-01 
5.38 -3.587108076e-01 
5.40 -3.415263873e-01 
5.42 -3.246160513e-01 
5.44 -3.082855309e-01 
5.46 -2.927381749e-01 
5.48 -2.781944795e-01 
5.50 -2.644958518e-01 
5.52 -2.509623157e-01 
5.54 -2.370591957e-01 
5.56 -2.226845038e-01 
5.58 -2.080112302e-01 
5.60 -1.932446225e-01 
5.62 -1.785155894e-01 
5.64 -1.637491958e-01 
5.66 -1.489704022e-01 
5.68 -1.342819493e-01 
5.70 -1.198187658e-01 
5.72 -1.057539090e-01 
5.74 -9.246005666e-02 
5.76 -8.018632657e-02 
5.78 -6.905101122e-02 
5.80 -5.908438876e-02 
5.82 -5.025984998e-02 
5.84 -4.251609510e-02 
5.86 -3.577259858e-02 
5.88 -2.994007845e-02 
5.90 -2.492732614e-02 
5.92 -2.064544167e-02 
5.94 -1.701026760e-02 
5.96 -1.394361373e-02 
5.98 -1.137370554e-02 
6.00 -9.235165005e-03