# 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 = Ta2Zr
# 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  3.409340401e+02 
0.98  2.960166324e+02 
1.00  2.601873979e+02 
1.02  2.324214338e+02 
1.04  2.122785522e+02 
1.06  1.961193105e+02 
1.08  1.813135014e+02 
1.10  1.670247364e+02 
1.12  1.534628776e+02 
1.14  1.403406590e+02 
1.16  1.283304505e+02 
1.18  1.175575084e+02 
1.20  1.070134931e+02 
1.22  9.693365699e+01 
1.24  8.761261568e+01 
1.26  7.888445166e+01 
1.28  7.062429329e+01 
1.30  6.327615785e+01 
1.32  5.675965661e+01 
1.34  5.104915526e+01 
1.36  4.589454681e+01 
1.38  4.133319405e+01 
1.40  3.719595085e+01 
1.42  3.324341788e+01 
1.44  2.966255268e+01 
1.46  2.645116092e+01 
1.48  2.375651440e+01 
1.50  2.144393660e+01 
1.52  1.923148990e+01 
1.54  1.720389304e+01 
1.56  1.544275190e+01 
1.58  1.395015012e+01 
1.60  1.266629736e+01 
1.62  1.157191811e+01 
1.64  1.057701458e+01 
1.66  9.648010670e+00 
1.68  8.814614016e+00 
1.70  8.088640790e+00 
1.72  7.447176631e+00 
1.74  6.832441472e+00 
1.76  6.216215743e+00 
1.78  5.667895032e+00 
1.80  5.208261094e+00 
1.82  4.705728310e+00 
1.84  4.170476733e+00 
1.86  3.653061085e+00 
1.88  3.218164555e+00 
1.90  2.852386636e+00 
1.92  2.549934657e+00 
1.94  2.280276994e+00 
1.96  1.994538000e+00 
1.98  1.635565663e+00 
2.00  1.156169952e+00 
2.02  7.043858915e-01 
2.04  3.473426941e-01 
2.06  1.075430103e-01 
2.08 -6.519449621e-02 
2.10 -2.747493440e-01 
2.12 -5.263045630e-01 
2.14 -7.869116061e-01 
2.16 -1.062433718e+00 
2.18 -1.335428315e+00 
2.20 -1.609124722e+00 
2.22 -1.980005631e+00 
2.24 -2.297966390e+00 
2.26 -2.583926290e+00 
2.28 -2.835766143e+00 
2.30 -3.068830343e+00 
2.32 -3.290522640e+00 
2.34 -3.513940996e+00 
2.36 -3.754478575e+00 
2.38 -4.013024713e+00 
2.40 -4.267818159e+00 
2.42 -4.475872819e+00 
2.44 -4.684257768e+00 
2.46 -4.877484335e+00 
2.48 -5.067136364e+00 
2.50 -5.241979275e+00 
2.52 -5.424520737e+00 
2.54 -5.589568851e+00 
2.56 -5.738781702e+00 
2.58 -5.874597143e+00 
2.60 -5.997306689e+00 
2.62 -6.107326704e+00 
2.64 -6.190959421e+00 
2.66 -6.248724265e+00 
2.68 -6.290047051e+00 
2.70 -6.325229734e+00 
2.72 -6.350697670e+00 
2.74 -6.366331134e+00 
2.76 -6.380341075e+00 
2.78 -6.393429515e+00 
2.80 -6.396529389e+00 
2.82 -6.407112838e+00 
2.84 -6.414219420e+00 
2.86 -6.419308432e+00 
2.88 -6.430267755e+00 
2.90 -6.439580933e+00 
2.92 -6.436487882e+00 
2.94 -6.417262646e+00 
2.96 -6.384155471e+00 
2.98 -6.342682648e+00 
3.00 -6.297500484e+00 
3.02 -6.251509133e+00 
3.04 -6.203566926e+00 
3.06 -6.152232203e+00 
3.08 -6.100039929e+00 
3.10 -6.052872768e+00 
3.12 -6.010880469e+00 
3.14 -5.963009554e+00 
3.16 -5.895187553e+00 
3.18 -5.788278370e+00 
3.20 -5.647049119e+00 
3.22 -5.511704895e+00 
3.24 -5.424270019e+00 
3.26 -5.364320063e+00 
3.28 -5.305416301e+00 
3.30 -5.247590646e+00 
3.32 -5.190955728e+00 
3.34 -5.135432899e+00 
3.36 -5.080751037e+00 
3.38 -5.026521496e+00 
3.40 -4.972120699e+00 
3.42 -4.916426324e+00 
3.44 -4.858242567e+00 
3.46 -4.796171161e+00 
3.48 -4.728948633e+00 
3.50 -4.656538089e+00 
3.52 -4.580134710e+00 
3.54 -4.502634247e+00 
3.56 -4.428553614e+00 
3.58 -4.361125376e+00 
3.60 -4.300905935e+00 
3.62 -4.241818633e+00 
3.64 -4.176610683e+00 
3.66 -4.097724262e+00 
3.68 -4.000819491e+00 
3.70 -3.891104034e+00 
3.72 -3.775267124e+00 
3.74 -3.664415734e+00 
3.76 -3.573986052e+00 
3.78 -3.511813809e+00 
3.80 -3.483069242e+00 
3.82 -3.468695082e+00 
3.84 -3.454980214e+00 
3.86 -3.436377091e+00 
3.88 -3.407626363e+00 
3.90 -3.364145931e+00 
3.92 -3.301311497e+00 
3.94 -3.216225279e+00 
3.96 -3.112112471e+00 
3.98 -2.994099431e+00 
4.00 -2.865998432e+00 
4.02 -2.730473684e+00 
4.04 -2.589563561e+00 
4.06 -2.447935563e+00 
4.08 -2.316248260e+00 
4.10 -2.205137283e+00 
4.12 -2.120222526e+00 
4.14 -2.052946157e+00 
4.16 -1.992850571e+00 
4.18 -1.932842736e+00 
4.20 -1.873399675e+00 
4.22 -1.816140147e+00 
4.24 -1.761453168e+00 
4.26 -1.708958953e+00 
4.28 -1.657747023e+00 
4.30 -1.606704157e+00 
4.32 -1.554811647e+00 
4.34 -1.501424546e+00 
4.36 -1.447458199e+00 
4.38 -1.394135060e+00 
4.40 -1.342584415e+00 
4.42 -1.294004251e+00 
4.44 -1.249821758e+00 
4.46 -1.211129881e+00 
4.48 -1.177248207e+00 
4.50 -1.146820817e+00 
4.52 -1.118276216e+00 
4.54 -1.089897527e+00 
4.56 -1.059872348e+00 
4.58 -1.027001076e+00 
4.60 -9.912415648e-01 
4.62 -9.531992863e-01 
4.64 -9.139284001e-01 
4.66 -8.745501288e-01 
4.68 -8.361955972e-01 
4.70 -7.997492212e-01 
4.72 -7.658281427e-01 
4.74 -7.349208561e-01 
4.76 -7.071948125e-01 
4.78 -6.827669176e-01 
4.80 -6.617250435e-01 
4.82 -6.437483710e-01 
4.84 -6.282748666e-01 
4.86 -6.147444018e-01 
4.88 -6.025475378e-01 
4.90 -5.908915496e-01 
4.92 -5.790279308e-01 
4.94 -5.667035293e-01 
4.96 -5.538404185e-01 
4.98 -5.403596217e-01 
5.00 -5.261977888e-01 
5.02 -5.116398119e-01 
5.04 -4.971582095e-01 
5.06 -4.827036543e-01 
5.08 -4.681171840e-01 
5.10 -4.532357566e-01 
5.12 -4.378882782e-01 
5.14 -4.218531731e-01 
5.16 -4.047705642e-01 
5.18 -3.864886311e-01 
5.20 -3.668984414e-01 
5.22 -3.458940720e-01 
5.24 -3.233700767e-01 
5.26 -2.992451064e-01 
5.28 -2.741272327e-01 
5.30 -2.495205667e-01 
5.32 -2.270119581e-01 
5.34 -2.081844075e-01 
5.36 -1.946202037e-01 
5.38 -1.865190356e-01 
5.40 -1.797958630e-01 
5.42 -1.740812481e-01 
5.44 -1.692311251e-01 
5.46 -1.650684876e-01 
5.48 -1.614199424e-01 
5.50 -1.581143490e-01 
5.52 -1.549818672e-01 
5.54 -1.518481184e-01 
5.56 -1.485834077e-01 
5.58 -1.451695401e-01 
5.60 -1.415948773e-01 
5.62 -1.378462317e-01 
5.64 -1.339095984e-01 
5.66 -1.297709675e-01 
5.68 -1.254376517e-01 
5.70 -1.209671192e-01 
5.72 -1.164070615e-01 
5.74 -1.118046679e-01 
5.76 -1.072069759e-01 
5.78 -1.026605596e-01 
5.80 -9.821064681e-02 
5.82 -9.389399202e-02 
5.84 -8.980303840e-02 
5.86 -8.605724582e-02 
5.88 -8.277791878e-02 
5.90 -8.008810010e-02 
5.92 -7.811162729e-02 
5.94 -7.696744217e-02 
5.96 -7.651030011e-02 
5.98 -7.616882706e-02 
6.00 -7.532954382e-02