# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta
# implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1
# composition = NbTa2
# 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 2026-06-16

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  nan             
1.06  nan             
1.08  nan             
1.10  4.923631344e+02 
1.12  4.553971658e+02 
1.14  4.213583761e+02 
1.16  3.899966673e+02 
1.18  3.610811714e+02 
1.20  3.343979349e+02 
1.22  3.097512465e+02 
1.24  2.869652445e+02 
1.26  2.658838873e+02 
1.28  2.463688879e+02 
1.30  2.282960669e+02 
1.32  2.115514862e+02 
1.34  1.960289782e+02 
1.36  1.816295334e+02 
1.38  1.682614663e+02 
1.40  1.558402478e+02 
1.42  1.442879896e+02 
1.44  1.335331566e+02 
1.46  1.235106891e+02 
1.48  1.141622499e+02 
1.50  1.054362042e+02 
1.52  9.728713115e+01 
1.54  8.967487007e+01 
1.56  8.256334893e+01 
1.58  7.591954251e+01 
1.60  6.971295931e+01 
1.62  6.393020573e+01 
1.64  5.855662994e+01 
1.66  5.356456677e+01 
1.68  4.892831693e+01 
1.70  4.462371621e+01 
1.72  4.062776580e+01 
1.74  3.691849216e+01 
1.76  3.347501139e+01 
1.78  3.027770238e+01 
1.80  2.730839360e+01 
1.82  2.455049571e+01 
1.84  2.198905183e+01 
1.86  1.961069287e+01 
1.88  1.740350871e+01 
1.90  1.535684852e+01 
1.92  1.346107444e+01 
1.94  1.170728963e+01 
1.96  1.008706816e+01 
1.98  8.592211100e+00 
2.00  7.214564360e+00 
2.02  5.945939084e+00 
2.04  4.778165264e+00 
2.06  3.703263353e+00 
2.08  2.713675537e+00 
2.10  1.802474559e+00 
2.12  9.634903019e-01 
2.14  1.913361065e-01 
2.16 -5.186445847e-01 
2.18 -1.170478540e+00 
2.20 -1.767682757e+00 
2.22 -2.313389809e+00 
2.24 -2.810473233e+00 
2.26 -3.261674363e+00 
2.28 -3.669726342e+00 
2.30 -4.037465680e+00 
2.32 -4.367911778e+00 
2.34 -4.664293522e+00 
2.36 -4.930004904e+00 
2.38 -5.168490887e+00 
2.40 -5.383085736e+00 
2.42 -5.576844451e+00 
2.44 -5.752409075e+00 
2.46 -5.911939640e+00 
2.48 -6.057114915e+00 
2.50 -6.189188975e+00 
2.52 -6.308407450e+00 
2.54 -6.412693285e+00 
2.56 -6.503522649e+00 
2.58 -6.582510565e+00 
2.60 -6.650825027e+00 
2.62 -6.709196974e+00 
2.64 -6.758146593e+00 
2.66 -6.798163238e+00 
2.68 -6.829715523e+00 
2.70 -6.853429233e+00 
2.72 -6.869635622e+00 
2.74 -6.878314864e+00 
2.76 -6.879504737e+00 
2.78 -6.873233827e+00 
2.80 -6.859579670e+00 
2.82 -6.838677397e+00 
2.84 -6.810707733e+00 
2.86 -6.775885614e+00 
2.88 -6.734449371e+00 
2.90 -6.686649697e+00 
2.92 -6.632738829e+00 
2.94 -6.572960122e+00 
2.96 -6.507538295e+00 
2.98 -6.436670769e+00 
3.00 -6.360520698e+00 
3.02 -6.279212298e+00 
3.04 -6.192828577e+00 
3.06 -6.101412375e+00 
3.08 -6.004971037e+00 
3.10 -5.903485023e+00 
3.12 -5.796920917e+00 
3.14 -5.685248591e+00 
3.16 -5.568462913e+00 
3.18 -5.446607955e+00 
3.20 -5.319803876e+00 
3.22 -5.188271897e+00 
3.24 -5.052356924e+00 
3.26 -4.912541119e+00 
3.28 -4.769447595e+00 
3.30 -4.623828750e+00 
3.32 -4.476539974e+00 
3.34 -4.328498638e+00 
3.36 -4.180632105e+00 
3.38 -4.033822255e+00 
3.40 -3.888850811e+00 
3.42 -3.746356110e+00 
3.44 -3.606801740e+00 
3.46 -3.470464305e+00 
3.48 -3.337435252e+00 
3.50 -3.207638320e+00 
3.52 -3.080855364e+00 
3.54 -2.956759037e+00 
3.56 -2.834947119e+00 
3.58 -2.714976760e+00 
3.60 -2.596396769e+00 
3.62 -2.478776827e+00 
3.64 -2.361734521e+00 
3.66 -2.244958958e+00 
3.68 -2.128231737e+00 
3.70 -2.011444370e+00 
3.72 -1.894612818e+00 
3.74 -1.777885722e+00 
3.76 -1.661547045e+00 
3.78 -1.546011140e+00 
3.80 -1.431809474e+00 
3.82 -1.319568008e+00 
3.84 -1.209977237e+00 
3.86 -1.103756013e+00 
3.88 -1.001612388e+00 
3.90 -9.042046205e-01 
3.92 -8.121058103e-01 
3.94 -7.257764398e-01 
3.96 -6.455461961e-01 
3.98 -5.716052768e-01 
4.00 -5.040061200e-01 
4.02 -4.426741746e-01 
4.04 -3.874243996e-01 
4.06 -3.379813539e-01 
4.08 -2.940014884e-01 
4.10 -2.550950721e-01 
4.12 -2.208458987e-01 
4.14 -1.908219439e-01 
4.16 -1.645942458e-01 
4.18 -1.417674096e-01 
4.20 -1.219634158e-01 
4.22 -1.048278261e-01 
4.24 -9.002883304e-02 
4.26 -7.727119127e-02 
4.28 -6.629314769e-02 
4.30 -5.685976131e-02 
4.32 -4.876254573e-02 
4.34 -4.181798700e-02 
4.36 -3.586554396e-02 
4.38 -3.076556129e-02 
4.40 -2.639709184e-02 
4.42 -2.265565920e-02 
4.44 -1.945126598e-02 
4.46 -1.670660423e-02 
4.48 -1.435533082e-02 
4.50 -1.234057545e-02 
4.52 -1.061367142e-02 
4.54 -9.132995930e-03 
4.56 -7.862949524e-03 
4.58 -6.773109536e-03 
4.60 -5.837494698e-03 
4.62 -5.033900609e-03 
4.64 -4.343353131e-03 
4.66 -3.749649488e-03 
4.68 -3.238941955e-03 
4.70 -2.799389942e-03 
4.72 -2.420873042e-03 
4.74 -2.094738184e-03 
4.76 -1.813578289e-03 
4.78 -1.571053645e-03 
4.80 -1.361738277e-03 
4.82 -1.180982244e-03 
4.84 -1.024799090e-03 
4.86 -8.897720737e-04 
4.88 -7.729694935e-04 
4.90 -6.718737899e-04 
4.92 -5.843233039e-04 
4.94 -5.084609123e-04 
4.96 -4.426892182e-04 
4.98 -3.856339633e-04 
5.00 -3.361128371e-04 
5.02 -2.931072812e-04 
5.04 -2.557393593e-04 
5.06 -2.232524758e-04 
5.08 -1.949938995e-04 
5.10 -1.704000079e-04 
5.12 -1.489841445e-04 
5.14 -1.303258940e-04 
5.16 -1.140616268e-04 
5.18 -9.987675289e-05 
5.20 -8.749911163e-05 
5.22 -7.669294041e-05 
5.24 -6.725389718e-05 
5.26 -5.900490213e-05 
5.28 -5.179235010e-05 
5.30 -4.548288000e-05 
5.32 -3.996070992e-05 
5.34 -3.512527797e-05 
5.36 -3.088913882e-05 
5.38 -2.717623340e-05 
5.40 -2.392041070e-05 
5.42 -2.106406614e-05 
5.44 -1.855701042e-05 
5.46 -1.635552247e-05 
5.48 -1.442148282e-05 
5.50 -1.272162675e-05 
5.52 -1.122692648e-05 
5.54 -9.912043483e-06 
5.56 -8.754834504e-06 
5.58 -7.735943604e-06 
5.60 -6.838453295e-06 
5.62 -6.047560363e-06 
5.64 -5.350304737e-06 
5.66 -4.735342005e-06 
5.68 -4.192734502e-06 
5.70 -3.713769349e-06 
5.72 -3.290807577e-06 
5.74 -2.917150254e-06 
5.76 -2.586916397e-06 
5.78 -2.294941744e-06 
5.80 -2.036692137e-06 
5.82 -1.808182412e-06 
5.84 -1.605908064e-06 
5.86 -1.426787837e-06 
5.88 -1.268110839e-06 
5.90 -1.127490004e-06 
5.92 -1.002823408e-06 
5.94 -8.922599500e-07 
5.96 -7.941677084e-07 
5.98 -7.071076090e-07 
6.00 -6.298108840e-07