# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Gao-H-Otero-de-la-Roza-A-Aouadi-S-M-et-al--AgTaO3
# implementation = 2013--Gao-H--AgTaO3--LAMMPS--ipr2
# composition = Ag2Ta
# 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 2022-05-24

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  7.496846406e+02 
1.08  6.920243520e+02 
1.10  6.375103612e+02 
1.12  5.837211270e+02 
1.14  5.317862214e+02 
1.16  4.824937613e+02 
1.18  4.363198360e+02 
1.20  3.935109621e+02 
1.22  3.541476003e+02 
1.24  3.181927941e+02 
1.26  2.855291483e+02 
1.28  2.559867007e+02 
1.30  2.293637070e+02 
1.32  2.054419343e+02 
1.34  1.839977217e+02 
1.36  1.648097976e+02 
1.38  1.476646314e+02 
1.40  1.323599252e+02 
1.42  1.187067199e+02 
1.44  1.065304812e+02 
1.46  9.567144871e+01 
1.48  8.598446582e+01 
1.50  7.733845321e+01 
1.52  6.961565190e+01 
1.54  6.271072770e+01 
1.56  5.652980508e+01 
1.58  5.098947984e+01 
1.60  4.601584492e+01 
1.62  4.154355298e+01 
1.64  3.751493100e+01 
1.66  3.387915588e+01 
1.68  3.059149554e+01 
1.70  2.761261678e+01 
1.72  2.490795878e+01 
1.74  2.244716964e+01 
1.76  2.020360231e+01 
1.78  1.815386566e+01 
1.80  1.627742627e+01 
1.82  1.455625632e+01 
1.84  1.297452310e+01 
1.86  1.151831594e+01 
1.88  1.017540644e+01 
1.90  8.935038354e+00 
1.92  7.787743675e+00 
1.94  6.725181834e+00 
1.96  5.739999220e+00 
1.98  4.825706514e+00 
2.00  3.976571623e+00 
2.02  3.187526226e+00 
2.04  2.454084197e+00 
2.06  1.772270363e+00 
2.08  1.138558248e+00 
2.10  5.498156323e-01 
2.12  3.256873201e-03 
2.14 -5.035989323e-01 
2.16 -9.729789993e-01 
2.18 -1.406956584e+00 
2.20 -1.807500281e+00 
2.22 -2.176480291e+00 
2.24 -2.515672973e+00 
2.26 -2.826765181e+00 
2.28 -3.111358412e+00 
2.30 -3.370972758e+00 
2.32 -3.607050669e+00 
2.34 -3.820960551e+00 
2.36 -4.014000184e+00 
2.38 -4.187399986e+00 
2.40 -4.342326105e+00 
2.42 -4.479883378e+00 
2.44 -4.601118126e+00 
2.46 -4.707020809e+00 
2.48 -4.798528551e+00 
2.50 -4.876527511e+00 
2.52 -4.941855126e+00 
2.54 -4.995302225e+00 
2.56 -5.037614991e+00 
2.58 -5.069496799e+00 
2.60 -5.091609898e+00 
2.62 -5.104576956e+00 
2.64 -5.108982428e+00 
2.66 -5.105373759e+00 
2.68 -5.094262381e+00 
2.70 -5.076124481e+00 
2.72 -5.051401497e+00 
2.74 -5.020500280e+00 
2.76 -4.983792828e+00 
2.78 -4.941615490e+00 
2.80 -4.894267427e+00 
2.82 -4.842008099e+00 
2.84 -4.785053333e+00 
2.86 -4.723569368e+00 
2.88 -4.657663838e+00 
2.90 -4.587371995e+00 
2.92 -4.512635224e+00 
2.94 -4.433266448e+00 
2.96 -4.348891959e+00 
2.98 -4.258847762e+00 
3.00 -4.161979898e+00 
3.02 -4.056216246e+00 
3.04 -3.937492504e+00 
3.06 -3.796278337e+00 
3.08 -3.598504187e+00 
3.10 -3.266310140e+00 
3.12 -3.102884587e+00 
3.14 -3.011685575e+00 
3.16 -2.937261286e+00 
3.18 -2.866608602e+00 
3.20 -2.797131466e+00 
3.22 -2.728391504e+00 
3.24 -2.660358511e+00 
3.26 -2.593072068e+00 
3.28 -2.526579731e+00 
3.30 -2.460926339e+00 
3.32 -2.396152422e+00 
3.34 -2.332294167e+00 
3.36 -2.269383642e+00 
3.38 -2.207449044e+00 
3.40 -2.146514953e+00 
3.42 -2.086602559e+00 
3.44 -2.027729888e+00 
3.46 -1.969912012e+00 
3.48 -1.913161245e+00 
3.50 -1.857487335e+00 
3.52 -1.802897639e+00 
3.54 -1.749397292e+00 
3.56 -1.696989366e+00 
3.58 -1.645675020e+00 
3.60 -1.595453639e+00 
3.62 -1.546322972e+00 
3.64 -1.498279257e+00 
3.66 -1.451317336e+00 
3.68 -1.405430773e+00 
3.70 -1.360611955e+00 
3.72 -1.316852193e+00 
3.74 -1.274141817e+00 
3.76 -1.232470263e+00 
3.78 -1.191826154e+00 
3.80 -1.152197381e+00 
3.82 -1.113571175e+00 
3.84 -1.075934176e+00 
3.86 -1.039272495e+00 
3.88 -1.003571778e+00 
3.90 -9.688172603e-01 
3.92 -9.349938202e-01 
3.94 -9.020860283e-01 
3.96 -8.700781940e-01 
3.98 -8.389544084e-01 
4.00 -8.086985853e-01 
4.02 -7.792944980e-01 
4.04 -7.507258147e-01 
4.06 -7.229761313e-01 
4.08 -6.960290008e-01 
4.10 -6.698679624e-01 
4.12 -6.444765664e-01 
4.14 -6.198383990e-01 
4.16 -5.959371041e-01 
4.18 -5.727564038e-01 
4.20 -5.502801172e-01 
4.22 -5.284921775e-01 
4.24 -5.073766481e-01 
4.26 -4.869177367e-01 
4.28 -4.670998086e-01 
4.30 -4.479073987e-01 
4.32 -4.293252220e-01 
4.34 -4.113381834e-01 
4.36 -3.939313868e-01 
4.38 -3.770901420e-01 
4.40 -3.607999726e-01 
4.42 -3.450466213e-01 
4.44 -3.298160555e-01 
4.46 -3.150944715e-01 
4.48 -3.008682990e-01 
4.50 -2.871242036e-01 
4.52 -2.738490900e-01 
4.54 -2.610301038e-01 
4.56 -2.486546332e-01 
4.58 -2.367103098e-01 
4.60 -2.251850097e-01 
4.62 -2.140668534e-01 
4.64 -2.033442060e-01 
4.66 -1.930056762e-01 
4.68 -1.830401158e-01 
4.70 -1.734366187e-01 
4.72 -1.641845191e-01 
4.74 -1.552733903e-01 
4.76 -1.466930425e-01 
4.78 -1.384335207e-01 
4.80 -1.304851026e-01 
4.82 -1.228382960e-01 
4.84 -1.154838361e-01 
4.86 -1.084126830e-01 
4.88 -1.016160185e-01 
4.90 -9.508524314e-02 
4.92 -8.881197328e-02 
4.94 -8.278803766e-02 
4.96 -7.700547421e-02 
4.98 -7.145652669e-02 
5.00 -6.613364124e-02 
5.02 -6.102946299e-02 
5.04 -5.613683247e-02 
5.06 -5.144878212e-02 
5.08 -4.695853272e-02 
5.10 -4.265948983e-02 
5.12 -3.854524018e-02 
5.14 -3.460954808e-02 
5.16 -3.084635183e-02 
5.18 -2.724976014e-02 
5.20 -2.381404855e-02 
5.22 -2.053365588e-02 
5.24 -1.740318066e-02 
5.26 -1.441737767e-02 
5.28 -1.157115437e-02 
5.30 -8.859567532e-03 
5.32 -6.277819732e-03 
5.34 -3.821256007e-03 
5.36 -1.485360481e-03 
5.38  7.342469446e-04 
5.40  2.841813864e-03 
5.42  4.841458597e-03 
5.44  6.737173372e-03 
5.46  8.532827466e-03 
5.48  1.023217029e-02 
5.50  1.183883444e-02 
5.52  1.335633867e-02 
5.54  1.478809087e-02 
5.56  1.613739090e-02 
5.58  1.740743350e-02 
5.60  1.860131100e-02 
5.62  1.972201614e-02 
5.64  2.077244469e-02 
5.66  2.175539808e-02 
5.68  2.267358604e-02 
5.70  2.352962906e-02 
5.72  2.432606090e-02 
5.74  2.506533100e-02 
5.76  2.574980687e-02 
5.78  2.638177637e-02 
5.80  2.696345003e-02 
5.82  2.749696323e-02 
5.84  2.798437837e-02 
5.86  2.842768701e-02 
5.88  2.882881193e-02 
5.90  2.918960913e-02 
5.92  2.951186984e-02 
5.94  2.979732242e-02 
5.96  3.004763425e-02 
5.98  3.026441354e-02 
6.00  3.044921116e-02