# 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 = OTa2
# 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  2.579899669e+02 
1.08  2.316067855e+02 
1.10  2.077707069e+02 
1.12  1.863003181e+02 
1.14  1.670043383e+02 
1.16  1.496910560e+02 
1.18  1.341745590e+02 
1.20  1.202786341e+02 
1.22  1.078390012e+02 
1.24  9.670437458e+01 
1.26  8.673672003e+01 
1.28  7.781097915e+01 
1.30  6.981445594e+01 
1.32  6.264600705e+01 
1.34  5.621513441e+01 
1.36  5.044104782e+01 
1.38  4.525174253e+01 
1.40  4.058311998e+01 
1.42  3.637816808e+01 
1.44  3.258620927e+01 
1.46  2.916221876e+01 
1.48  2.606621152e+01 
1.50  2.326269469e+01 
1.52  2.072018028e+01 
1.54  1.841075276e+01 
1.56  1.630968580e+01 
1.58  1.439510279e+01 
1.60  1.264767582e+01 
1.62  1.105035851e+01 
1.64  9.588148455e+00 
1.66  8.247875554e+00 
1.68  7.018012845e+00 
1.70  5.888507112e+00 
1.72  4.850626688e+00 
1.74  3.896824322e+00 
1.76  3.020613210e+00 
1.78  2.216452599e+00 
1.80  1.479536231e+00 
1.82  8.054300559e-01 
1.84  1.899627267e-01 
1.86 -3.707897461e-01 
1.88 -8.805176976e-01 
1.90 -1.342690790e+00 
1.92 -1.760570310e+00 
1.94 -2.137220807e+00 
1.96 -2.475521126e+00 
1.98 -2.778174840e+00 
2.00 -3.047720132e+00 
2.02 -3.286539149e+00 
2.04 -3.496866851e+00 
2.06 -3.680799390e+00 
2.08 -3.840302027e+00 
2.10 -3.977216636e+00 
2.12 -4.093268790e+00 
2.14 -4.190074468e+00 
2.16 -4.269146395e+00 
2.18 -4.331900037e+00 
2.20 -4.379659272e+00 
2.22 -4.413661739e+00 
2.24 -4.435063909e+00 
2.26 -4.444945864e+00 
2.28 -4.444315815e+00 
2.30 -4.434114374e+00 
2.32 -4.415218585e+00 
2.34 -4.388445730e+00 
2.36 -4.354556927e+00 
2.38 -4.314260519e+00 
2.40 -4.268215279e+00 
2.42 -4.217033435e+00 
2.44 -4.161283518e+00 
2.46 -4.101493054e+00 
2.48 -4.038151101e+00 
2.50 -3.971710643e+00 
2.52 -3.902590842e+00 
2.54 -3.831179170e+00 
2.56 -3.757833409e+00 
2.58 -3.682883541e+00 
2.60 -3.606633524e+00 
2.62 -3.529362973e+00 
2.64 -3.451328733e+00 
2.66 -3.372766365e+00 
2.68 -3.293891546e+00 
2.70 -3.214901383e+00 
2.72 -3.135975649e+00 
2.74 -3.057277950e+00 
2.76 -2.978956817e+00 
2.78 -2.901146736e+00 
2.80 -2.823969114e+00 
2.82 -2.747533189e+00 
2.84 -2.671936881e+00 
2.86 -2.597267593e+00 
2.88 -2.523602965e+00 
2.90 -2.451011577e+00 
2.92 -2.379553615e+00 
2.94 -2.309281485e+00 
2.96 -2.240240402e+00 
2.98 -2.172468928e+00 
3.00 -2.105999490e+00 
3.02 -2.040858853e+00 
3.04 -1.977068568e+00 
3.06 -1.914645393e+00 
3.08 -1.853601682e+00 
3.10 -1.793945754e+00 
3.12 -1.735682231e+00 
3.14 -1.678812360e+00 
3.16 -1.623334310e+00 
3.18 -1.569243449e+00 
3.20 -1.516532606e+00 
3.22 -1.465192309e+00 
3.24 -1.415211012e+00 
3.26 -1.366575302e+00 
3.28 -1.319270096e+00 
3.30 -1.273278820e+00 
3.32 -1.228583576e+00 
3.34 -1.185165301e+00 
3.36 -1.143003907e+00 
3.38 -1.102078417e+00 
3.40 -1.062367087e+00 
3.42 -1.023847522e+00 
3.44 -9.864967809e-01 
3.46 -9.502914717e-01 
3.48 -9.152078434e-01 
3.50 -8.812218670e-01 
3.52 -8.483093113e-01 
3.54 -8.164458121e-01 
3.56 -7.856069356e-01 
3.58 -7.557682362e-01 
3.60 -7.269053092e-01 
3.62 -6.989938392e-01 
3.64 -6.720096429e-01 
3.66 -6.459287090e-01 
3.68 -6.207272335e-01 
3.70 -5.963816519e-01 
3.72 -5.728686673e-01 
3.74 -5.501652762e-01 
3.76 -5.282487911e-01 
3.78 -5.070968602e-01 
3.80 -4.866874852e-01 
3.82 -4.669990360e-01 
3.84 -4.480102641e-01 
3.86 -4.297003135e-01 
3.88 -4.120487300e-01 
3.90 -3.950354688e-01 
3.92 -3.786409005e-01 
3.94 -3.628458157e-01 
3.96 -3.476314286e-01 
3.98 -3.329793790e-01 
4.00 -3.188717331e-01 
4.02 -3.052909842e-01 
4.04 -2.922200512e-01 
4.06 -2.796422774e-01 
4.08 -2.675414280e-01 
4.10 -2.559016870e-01 
4.12 -2.447076535e-01 
4.14 -2.339443375e-01 
4.16 -2.235971553e-01 
4.18 -2.136519240e-01 
4.20 -2.040948565e-01 
4.22 -1.949125552e-01 
4.24 -1.860920059e-01 
4.26 -1.776205714e-01 
4.28 -1.694859851e-01 
4.30 -1.616763438e-01 
4.32 -1.541801006e-01 
4.34 -1.469860583e-01 
4.36 -1.400833617e-01 
4.38 -1.334614905e-01 
4.40 -1.271102519e-01 
4.42 -1.210197732e-01 
4.44 -1.151804941e-01 
4.46 -1.095831600e-01 
4.48 -1.042188136e-01 
4.50 -9.907878855e-02 
4.52 -9.415470127e-02 
4.54 -8.943844421e-02 
4.56 -8.492217838e-02 
4.58 -8.059832633e-02 
4.60 -7.645956500e-02 
4.62 -7.249881883e-02 
4.64 -6.870925285e-02 
4.66 -6.508426592e-02 
4.68 -6.161748407e-02 
4.70 -5.830275394e-02 
4.72 -5.513413636e-02 
4.74 -5.210590003e-02 
4.76 -4.921251532e-02 
4.78 -4.644864823e-02 
4.80 -4.380915438e-02 
4.82 -4.128907327e-02 
4.84 -3.888362253e-02 
4.86 -3.658819240e-02 
4.88 -3.439834027e-02 
4.90 -3.230978537e-02 
4.92 -3.031840363e-02 
4.94 -2.842022261e-02 
4.96 -2.661141655e-02 
4.98 -2.488830164e-02 
5.00 -2.324733128e-02 
5.02 -2.168509159e-02 
5.04 -2.019829695e-02 
5.06 -1.878378570e-02 
5.08 -1.743851599e-02 
5.10 -1.615956166e-02 
5.12 -1.494410833e-02 
5.14 -1.378944953e-02 
5.16 -1.269298300e-02 
5.18 -1.165220706e-02 
5.20 -1.066471710e-02 
5.22 -9.728202158e-03 
5.24 -8.840441663e-03 
5.26 -7.999302184e-03 
5.28 -7.202734356e-03 
5.30 -6.448769863e-03 
5.32 -5.735518529e-03 
5.34 -5.061165500e-03 
5.36 -4.423968506e-03 
5.38 -3.822255225e-03 
5.40 -3.254420721e-03 
5.42 -2.718924972e-03 
5.44 -2.214290474e-03 
5.46 -1.739099925e-03 
5.48 -1.291993992e-03 
5.50 -8.716691399e-04 
5.52 -4.768755482e-04 
5.54 -1.064150847e-04 
5.56  2.408606431e-04 
5.58  5.660521750e-04 
5.60  8.702140175e-04 
5.62  1.154356402e-03 
5.64  1.419446983e-03 
5.66  1.666412473e-03 
5.68  1.896140226e-03 
5.70  2.109479761e-03 
5.72  2.307244231e-03 
5.74  2.490211846e-03 
5.76  2.659127240e-03 
5.78  2.814702786e-03 
5.80  2.957619874e-03 
5.82  3.088530131e-03 
5.84  3.208056608e-03 
5.86  3.316794914e-03 
5.88  3.415314314e-03 
5.90  3.504158786e-03 
5.92  3.583848037e-03 
5.94  3.654878485e-03 
5.96  3.717724202e-03 
5.98  3.772837821e-03 
6.00  3.820651411e-03