# 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 = Nb2Ta
# 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  4.510491988e+02 
1.12  4.178517217e+02 
1.14  3.872396065e+02 
1.16  3.589999013e+02 
1.18  3.329315868e+02 
1.20  3.088451950e+02 
1.22  2.865661743e+02 
1.24  2.659373589e+02 
1.26  2.468191261e+02 
1.28  2.290876083e+02 
1.30  2.126316632e+02 
1.32  1.973497853e+02 
1.34  1.831482301e+02 
1.36  1.699405079e+02 
1.38  1.576471117e+02 
1.40  1.461946815e+02 
1.42  1.355151355e+02 
1.44  1.255456611e+02 
1.46  1.162295428e+02 
1.48  1.075169812e+02 
1.50  9.936506679e+01 
1.52  9.173667418e+01 
1.54  8.459870765e+01 
1.56  7.792046626e+01 
1.58  7.167269318e+01 
1.60  6.582773551e+01 
1.62  6.037764127e+01 
1.64  5.530771671e+01 
1.66  5.059637345e+01 
1.68  4.621913775e+01 
1.70  4.215300722e+01 
1.72  3.837618292e+01 
1.74  3.486787235e+01 
1.76  3.160833648e+01 
1.78  2.857907499e+01 
1.80  2.576303503e+01 
1.82  2.314476595e+01 
1.84  2.071048491e+01 
1.86  1.844803904e+01 
1.88  1.634676815e+01 
1.90  1.439727608e+01 
1.92  1.259113115e+01 
1.94  1.092052575e+01 
1.96  9.377940773e+00 
1.98  7.955863842e+00 
2.00  6.646610211e+00 
2.02  5.442284090e+00 
2.04  4.334891783e+00 
2.06  3.316571035e+00 
2.08  2.379864216e+00 
2.10  1.517951303e+00 
2.12  7.247861124e-01 
2.14 -4.875973143e-03 
2.16 -6.755344574e-01 
2.18 -1.291048319e+00 
2.20 -1.854760453e+00 
2.22 -2.369626149e+00 
2.24 -2.838340398e+00 
2.26 -3.263465105e+00 
2.28 -3.647552985e+00 
2.30 -3.993259196e+00 
2.32 -4.303422777e+00 
2.34 -4.581097491e+00 
2.36 -4.829514306e+00 
2.38 -5.051974967e+00 
2.40 -5.251696734e+00 
2.42 -5.431646339e+00 
2.44 -5.594404025e+00 
2.46 -5.742087971e+00 
2.48 -5.876346407e+00 
2.50 -5.998405617e+00 
2.52 -6.109298006e+00 
2.54 -6.209787022e+00 
2.56 -6.300266868e+00 
2.58 -6.380358031e+00 
2.60 -6.449591315e+00 
2.62 -6.508712656e+00 
2.64 -6.558375928e+00 
2.66 -6.599152709e+00 
2.68 -6.631474180e+00 
2.70 -6.655567155e+00 
2.72 -6.671523596e+00 
2.74 -6.679484802e+00 
2.76 -6.679674946e+00 
2.78 -6.672399776e+00 
2.80 -6.657761806e+00 
2.82 -6.635902509e+00 
2.84 -6.607020104e+00 
2.86 -6.571356182e+00 
2.88 -6.529182643e+00 
2.90 -6.480788258e+00 
2.92 -6.426465785e+00 
2.94 -6.366499969e+00 
2.96 -6.301156815e+00 
2.98 -6.230674584e+00 
3.00 -6.155256985e+00 
3.02 -6.075069010e+00 
3.04 -5.990235306e+00 
3.06 -5.900841747e+00 
3.08 -5.806940303e+00 
3.10 -5.708557254e+00 
3.12 -5.605704996e+00 
3.14 -5.498397053e+00 
3.16 -5.386666488e+00 
3.18 -5.270585890e+00 
3.20 -5.150289014e+00 
3.22 -5.025990379e+00 
3.24 -4.898002560e+00 
3.26 -4.766745955e+00 
3.28 -4.632750643e+00 
3.30 -4.496646172e+00 
3.32 -4.359140120e+00 
3.34 -4.220985286e+00 
3.36 -4.082938516e+00 
3.38 -3.945716764e+00 
3.40 -3.809953645e+00 
3.42 -3.676164693e+00 
3.44 -3.544721654e+00 
3.46 -3.415841796e+00 
3.48 -3.289588388e+00 
3.50 -3.165884013e+00 
3.52 -3.044531048e+00 
3.54 -2.925238426e+00 
3.56 -2.807650405e+00 
3.58 -2.691376061e+00 
3.60 -2.576017798e+00 
3.62 -2.461197904e+00 
3.64 -2.346583743e+00 
3.66 -2.231910411e+00 
3.68 -2.117001177e+00 
3.70 -2.001784884e+00 
3.72 -1.886310575e+00 
3.74 -1.770756050e+00 
3.76 -1.655430768e+00 
3.78 -1.540771263e+00 
3.80 -1.427328126e+00 
3.82 -1.315743681e+00 
3.84 -1.206722279e+00 
3.86 -1.100994427e+00 
3.88 -9.992779164e-01 
3.90 -9.022391737e-01 
3.92 -8.104581966e-01 
3.94 -7.244014050e-01 
3.96 -6.444037055e-01 
3.98 -5.706599920e-01 
4.00 -5.032269985e-01 
4.02 -4.420341425e-01 
4.04 -3.869000198e-01 
4.06 -3.375525730e-01 
4.08 -2.936513373e-01 
4.10 -2.548093080e-01 
4.12 -2.206126712e-01 
4.14 -1.906342225e-01 
4.16 -1.644453536e-01 
4.18 -1.416502092e-01 
4.20 -1.218717271e-01 
4.22 -1.047562458e-01 
4.24 -8.997137288e-02 
4.26 -7.722428647e-02 
4.28 -6.625431034e-02 
4.30 -5.682722999e-02 
4.32 -4.873504910e-02 
4.34 -4.179458612e-02 
4.36 -3.584552770e-02 
4.38 -3.074837727e-02 
4.40 -2.638230071e-02 
4.42 -2.264290424e-02 
4.44 -1.944025252e-02 
4.46 -1.669708565e-02 
4.48 -1.434709859e-02 
4.50 -1.233345200e-02 
4.52 -1.060750476e-02 
4.54 -9.127655523e-03 
4.56 -7.858323005e-03 
4.58 -6.769100050e-03 
4.60 -5.834018684e-03 
4.62 -5.030885939e-03 
4.64 -4.340737528e-03 
4.66 -3.747379170e-03 
4.68 -3.236970473e-03 
4.70 -2.797677175e-03 
4.72 -2.419384345e-03 
4.74 -2.093443595e-03 
4.76 -1.812451933e-03 
4.78 -1.570073157e-03 
4.80 -1.360884320e-03 
4.82 -1.180238098e-03 
4.84 -1.024150288e-03 
4.86 -8.892060958e-04 
4.88 -7.724755009e-04 
4.90 -6.714423945e-04 
4.92 -5.839463703e-04 
4.94 -5.081313879e-04 
4.96 -4.424009853e-04 
4.98 -3.853817133e-04 
5.00 -3.358919605e-04 
5.02 -2.929137740e-04 
5.04 -2.555697413e-04 
5.06 -2.231037204e-04 
5.08 -1.948633735e-04 
5.10 -1.702854188e-04 
5.12 -1.488834954e-04 
5.14 -1.302374448e-04 
5.16 -1.139838601e-04 
5.18 -9.980834494e-05 
5.20 -8.743890685e-05 
5.22 -7.663992961e-05 
5.24 -6.720719849e-05 
5.26 -5.896374458e-05 
5.28 -5.175605926e-05 
5.30 -4.545086566e-05 
5.32 -3.993245524e-05 
5.34 -3.510033018e-05 
5.36 -3.086710104e-05 
5.38 -2.715675761e-05 
5.40 -2.390319154e-05 
5.42 -2.104883556e-05 
5.44 -1.854353300e-05 
5.46 -1.634359137e-05 
5.48 -1.441091622e-05 
5.50 -1.271226472e-05 
5.52 -1.121862831e-05 
5.54 -9.904685300e-06 
5.56 -8.748307218e-06 
5.58 -7.730151094e-06 
5.60 -6.833310831e-06 
5.62 -6.042993226e-06 
5.64 -5.346247002e-06 
5.66 -4.731735486e-06 
5.68 -4.189527820e-06 
5.70 -3.710917114e-06 
5.72 -3.288269675e-06 
5.74 -2.914891221e-06 
5.76 -2.584904865e-06 
5.78 -2.293149956e-06 
5.80 -2.035095524e-06 
5.82 -1.806759215e-06 
5.84 -1.604639007e-06 
5.86 -1.425655838e-06 
5.88 -1.267100752e-06 
5.90 -1.126588396e-06 
5.92 -1.002018361e-06 
5.94 -8.915408839e-07 
5.96 -7.935252305e-07 
5.98 -7.065333758e-07 
6.00 -6.292974816e-07