# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta
# implementation = 2026--Starikov-S--W-Mo-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 2025-12-17

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  1.186598969e+03 
0.98  1.048742724e+03 
1.00  9.276831271e+02 
1.02  8.219214168e+02 
1.04  7.290042735e+02 
1.06  6.481280538e+02 
1.08  5.769570405e+02 
1.10  5.144024691e+02 
1.12  4.594532128e+02 
1.14  4.112768674e+02 
1.16  3.683776147e+02 
1.18  3.300677055e+02 
1.20  2.959228751e+02 
1.22  2.655201335e+02 
1.24  2.385433825e+02 
1.26  2.147263998e+02 
1.28  1.935458854e+02 
1.30  1.744798374e+02 
1.32  1.573968487e+02 
1.34  1.421022352e+02 
1.36  1.283269636e+02 
1.38  1.158030417e+02 
1.40  1.044752179e+02 
1.42  9.416415387e+01 
1.44  8.482112708e+01 
1.46  7.640446075e+01 
1.48  6.911889607e+01 
1.50  6.245100189e+01 
1.52  5.638426990e+01 
1.54  5.086829923e+01 
1.56  4.589502300e+01 
1.58  4.134056447e+01 
1.60  3.709842263e+01 
1.62  3.324099486e+01 
1.64  2.988046088e+01 
1.66  2.692702771e+01 
1.68  2.426617293e+01 
1.70  2.188910633e+01 
1.72  1.977411819e+01 
1.74  1.785914670e+01 
1.76  1.608446475e+01 
1.78  1.440668562e+01 
1.80  1.283663441e+01 
1.82  1.141618178e+01 
1.84  1.014662951e+01 
1.86  9.019338457e+00 
1.88  8.004445428e+00 
1.90  7.074339806e+00 
1.92  6.222399404e+00 
1.94  5.447928867e+00 
1.96  4.752628627e+00 
1.98  4.134611531e+00 
2.00  3.584816122e+00 
2.02  3.068676709e+00 
2.04  2.544526933e+00 
2.06  2.009952345e+00 
2.08  1.496842089e+00 
2.10  1.013204289e+00 
2.12  5.123982390e-01 
2.14  9.957490605e-03 
2.16 -6.440149485e-01 
2.18 -1.303543383e+00 
2.20 -1.838878421e+00 
2.22 -2.319670653e+00 
2.24 -2.706449725e+00 
2.26 -3.066189285e+00 
2.28 -3.399944948e+00 
2.30 -3.699183897e+00 
2.32 -3.953257068e+00 
2.34 -4.175788026e+00 
2.36 -4.390182435e+00 
2.38 -4.606621668e+00 
2.40 -4.820192409e+00 
2.42 -5.033343505e+00 
2.44 -5.248725403e+00 
2.46 -5.484445618e+00 
2.48 -5.674617663e+00 
2.50 -5.827544657e+00 
2.52 -5.987892936e+00 
2.54 -6.159484634e+00 
2.56 -6.320241392e+00 
2.58 -6.453525493e+00 
2.60 -6.558780064e+00 
2.62 -6.635224310e+00 
2.64 -6.679106755e+00 
2.66 -6.692420987e+00 
2.68 -6.698011231e+00 
2.70 -6.713902156e+00 
2.72 -6.733453890e+00 
2.74 -6.746581644e+00 
2.76 -6.744238771e+00 
2.78 -6.727755956e+00 
2.80 -6.704423433e+00 
2.82 -6.681934040e+00 
2.84 -6.662871956e+00 
2.86 -6.641156853e+00 
2.88 -6.611159224e+00 
2.90 -6.567813596e+00 
2.92 -6.512786966e+00 
2.94 -6.448497752e+00 
2.96 -6.378088824e+00 
2.98 -6.305381984e+00 
3.00 -6.235038279e+00 
3.02 -6.169991979e+00 
3.04 -6.112215308e+00 
3.06 -6.057029886e+00 
3.08 -5.995913151e+00 
3.10 -5.923918142e+00 
3.12 -5.838132927e+00 
3.14 -5.745724187e+00 
3.16 -5.656231463e+00 
3.18 -5.574330233e+00 
3.20 -5.501018537e+00 
3.22 -5.435822966e+00 
3.24 -5.378021482e+00 
3.26 -5.322874659e+00 
3.28 -5.266310109e+00 
3.30 -5.206990502e+00 
3.32 -5.144149297e+00 
3.34 -5.076029139e+00 
3.36 -5.000151798e+00 
3.38 -4.914284614e+00 
3.40 -4.816940571e+00 
3.42 -4.709512122e+00 
3.44 -4.594997271e+00 
3.46 -4.475908770e+00 
3.48 -4.356005398e+00 
3.50 -4.243430314e+00 
3.52 -4.148194838e+00 
3.54 -4.075540403e+00 
3.56 -4.027273413e+00 
3.58 -3.999622202e+00 
3.60 -3.983422234e+00 
3.62 -3.969214146e+00 
3.64 -3.948103355e+00 
3.66 -3.917229157e+00 
3.68 -3.879118277e+00 
3.70 -3.836197955e+00 
3.72 -3.790823640e+00 
3.74 -3.745116342e+00 
3.76 -3.700255469e+00 
3.78 -3.657495158e+00 
3.80 -3.618208283e+00 
3.82 -3.573834482e+00 
3.84 -3.518269111e+00 
3.86 -3.449829169e+00 
3.88 -3.369217051e+00 
3.90 -3.281124484e+00 
3.92 -3.190107677e+00 
3.94 -3.091575880e+00 
3.96 -2.979203242e+00 
3.98 -2.860215342e+00 
4.00 -2.748787025e+00 
4.02 -2.645575535e+00 
4.04 -2.543829593e+00 
4.06 -2.444101175e+00 
4.08 -2.351545495e+00 
4.10 -2.267036229e+00 
4.12 -2.190653552e+00 
4.14 -2.122748355e+00 
4.16 -2.062850795e+00 
4.18 -2.008375792e+00 
4.20 -1.957501001e+00 
4.22 -1.910602793e+00 
4.24 -1.868032488e+00 
4.26 -1.829572637e+00 
4.28 -1.795025736e+00 
4.30 -1.764300107e+00 
4.32 -1.736691735e+00 
4.34 -1.711320107e+00 
4.36 -1.688469116e+00 
4.38 -1.668719985e+00 
4.40 -1.652541869e+00 
4.42 -1.640302031e+00 
4.44 -1.632298311e+00 
4.46 -1.628375582e+00 
4.48 -1.627468575e+00 
4.50 -1.628644386e+00 
4.52 -1.631017564e+00 
4.54 -1.633719259e+00 
4.56 -1.635895906e+00 
4.58 -1.637022060e+00 
4.60 -1.637066567e+00 
4.62 -1.635771453e+00 
4.64 -1.632691630e+00 
4.66 -1.627378726e+00 
4.68 -1.619378538e+00 
4.70 -1.608182098e+00 
4.72 -1.593231362e+00 
4.74 -1.574179869e+00 
4.76 -1.551704897e+00 
4.78 -1.526811611e+00 
4.80 -1.500519715e+00 
4.82 -1.473800293e+00 
4.84 -1.447570361e+00 
4.86 -1.422733734e+00 
4.88 -1.399583829e+00 
4.90 -1.377158408e+00 
4.92 -1.354547339e+00 
4.94 -1.331625203e+00 
4.96 -1.308493854e+00 
4.98 -1.284908682e+00 
5.00 -1.260190738e+00 
5.02 -1.234911814e+00 
5.04 -1.210738450e+00 
5.06 -1.188196980e+00 
5.08 -1.167494441e+00 
5.10 -1.148756032e+00 
5.12 -1.131986699e+00 
5.14 -1.116797706e+00 
5.16 -1.101527621e+00 
5.18 -1.085180126e+00 
5.20 -1.066850006e+00 
5.22 -1.045487840e+00 
5.24 -1.019873283e+00 
5.26 -9.885970289e-01 
5.28 -9.504838505e-01 
5.30 -9.059993483e-01 
5.32 -8.568095111e-01 
5.34 -8.057501172e-01 
5.36 -7.568602950e-01 
5.38 -7.127731727e-01 
5.40 -6.688287598e-01 
5.42 -6.256593005e-01 
5.44 -5.837785078e-01 
5.46 -5.451723021e-01 
5.48 -5.104649489e-01 
5.50 -4.798775698e-01 
5.52 -4.537815942e-01 
5.54 -4.325007804e-01 
5.56 -4.157189092e-01 
5.58 -4.026508674e-01 
5.60 -3.924417347e-01 
5.62 -3.841975402e-01 
5.64 -3.770071839e-01 
5.66 -3.699589622e-01 
5.68 -3.624213700e-01 
5.70 -3.549870464e-01 
5.72 -3.485869368e-01 
5.74 -3.441534447e-01 
5.76 -3.426142151e-01 
5.78 -3.448898077e-01 
5.80 -3.518784472e-01 
5.82 -3.635633126e-01 
5.84 -3.781972835e-01 
5.86 -3.938695123e-01 
5.88 -4.087040688e-01 
5.90 -4.208510154e-01 
5.92 -4.284741216e-01 
5.94 -4.297916870e-01 
5.96 -4.241246933e-01 
5.98 -4.117675891e-01 
6.00 -3.930042122e-01