# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 1996--Farkas-D-Jones-C--Nb-Ti-Al
# implementation = 1996--Farkas-D--Nb-Ti-Al--LAMMPS--ipr1
# composition = Al2Ti
# 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  1.200624100e+05 
0.98  1.101943745e+05 
1.00  1.011316189e+05 
1.02  9.279936413e+04 
1.04  8.512733675e+04 
1.06  7.805864547e+04 
1.08  7.154343650e+04 
1.10  6.553741888e+04 
1.12  5.999990100e+04 
1.14  5.488664937e+04 
1.16  5.016334402e+04 
1.18  4.579577486e+04 
1.20  4.175447767e+04 
1.22  3.801281964e+04 
1.24  3.454666804e+04 
1.26  3.133386498e+04 
1.28  2.835149824e+04 
1.30  2.558077427e+04 
1.32  2.300458372e+04 
1.34  2.060433449e+04 
1.36  1.836483079e+04 
1.38  1.627246442e+04 
1.40  1.431409289e+04 
1.42  1.247750400e+04 
1.44  1.075451952e+04 
1.46  9.137733472e+03 
1.48  7.619869703e+03 
1.50  6.193146593e+03 
1.52  4.851158676e+03 
1.54  3.588208638e+03 
1.56  2.428427081e+03 
1.58  1.565415141e+03 
1.60  9.673038115e+02 
1.62  5.661163052e+02 
1.64  3.085018939e+02 
1.66  1.528367877e+02 
1.68  6.688531906e+01 
1.70  2.587748934e+01 
1.72  1.102477313e+01 
1.74  8.383182288e+00 
1.76  8.297204970e+00 
1.78  8.161937261e+00 
1.80  7.976869212e+00 
1.82  7.750066677e+00 
1.84  7.487895411e+00 
1.86  7.194004741e+00 
1.88  6.874829153e+00 
1.90  6.535948600e+00 
1.92  6.181472162e+00 
1.94  5.815361665e+00 
1.96  5.441243200e+00 
1.98  5.054759814e+00 
2.00  4.658080344e+00 
2.02  4.253700746e+00 
2.04  3.843691140e+00 
2.06  3.429818381e+00 
2.08  3.013661500e+00 
2.10  2.596875938e+00 
2.12  2.183236694e+00 
2.14  1.775117252e+00 
2.16  1.374335395e+00 
2.18  9.849937268e-01 
2.20  6.092209905e-01 
2.22  2.484492750e-01 
2.24 -9.598295360e-02 
2.26 -4.227017723e-01 
2.28 -7.323592238e-01 
2.30 -1.026045126e+00 
2.32 -1.302785880e+00 
2.34 -1.562110931e+00 
2.36 -1.803752617e+00 
2.38 -2.027511833e+00 
2.40 -2.233286395e+00 
2.42 -2.420929269e+00 
2.44 -2.590084282e+00 
2.46 -2.740970336e+00 
2.48 -2.873983869e+00 
2.50 -2.991003019e+00 
2.52 -3.093138749e+00 
2.54 -3.181095261e+00 
2.56 -3.255625554e+00 
2.58 -3.317502108e+00 
2.60 -3.367513892e+00 
2.62 -3.406457054e+00 
2.64 -3.435126470e+00 
2.66 -3.454316627e+00 
2.68 -3.464817807e+00 
2.70 -3.467411657e+00 
2.72 -3.462863986e+00 
2.74 -3.451919864e+00 
2.76 -3.435022105e+00 
2.78 -3.410346070e+00 
2.80 -3.378231485e+00 
2.82 -3.341139058e+00 
2.84 -3.299666741e+00 
2.86 -3.254311327e+00 
2.88 -3.205549736e+00 
2.90 -3.153893806e+00 
2.92 -3.100358517e+00 
2.94 -3.046169688e+00 
2.96 -2.991776432e+00 
2.98 -2.937320256e+00 
3.00 -2.882980044e+00 
3.02 -2.828826453e+00 
3.04 -2.774883645e+00 
3.06 -2.721166414e+00 
3.08 -2.667682371e+00 
3.10 -2.614478916e+00 
3.12 -2.561639896e+00 
3.14 -2.509232525e+00 
3.16 -2.457310648e+00 
3.18 -2.405914415e+00 
3.20 -2.355066152e+00 
3.22 -2.304773973e+00 
3.24 -2.255033834e+00 
3.26 -2.205839972e+00 
3.28 -2.157221018e+00 
3.30 -2.109227734e+00 
3.32 -2.061906937e+00 
3.34 -2.015294022e+00 
3.36 -1.969419108e+00 
3.38 -1.924450202e+00 
3.40 -1.880778829e+00 
3.42 -1.838190770e+00 
3.44 -1.796313640e+00 
3.46 -1.755156388e+00 
3.48 -1.714728118e+00 
3.50 -1.675036113e+00 
3.52 -1.636088208e+00 
3.54 -1.597876940e+00 
3.56 -1.560149024e+00 
3.58 -1.521095943e+00 
3.60 -1.480848493e+00 
3.62 -1.439760990e+00 
3.64 -1.398147742e+00 
3.66 -1.356283719e+00 
3.68 -1.314406675e+00 
3.70 -1.272719012e+00 
3.72 -1.231389422e+00 
3.74 -1.190554507e+00 
3.76 -1.150320178e+00 
3.78 -1.110761520e+00 
3.80 -1.071923503e+00 
3.82 -1.033841387e+00 
3.84 -9.965654629e-01 
3.86 -9.601405016e-01 
3.88 -9.246035672e-01 
3.90 -8.899849510e-01 
3.92 -8.563090113e-01 
3.94 -8.235950012e-01 
3.96 -7.918578206e-01 
3.98 -7.611085974e-01 
4.00 -7.313553237e-01 
4.02 -7.026033861e-01 
4.04 -6.748560767e-01 
4.06 -6.481150349e-01 
4.08 -6.223806473e-01 
4.10 -5.976524559e-01 
4.12 -5.739295136e-01 
4.14 -5.512106904e-01 
4.16 -5.294541720e-01 
4.18 -5.084964642e-01 
4.20 -4.883088967e-01 
4.22 -4.688775658e-01 
4.24 -4.501881251e-01 
4.26 -4.322257977e-01 
4.28 -4.149758550e-01 
4.30 -3.984226671e-01 
4.32 -3.825375283e-01 
4.34 -3.672702310e-01 
4.36 -3.525732200e-01 
4.38 -3.384025389e-01 
4.40 -3.247156105e-01 
4.42 -3.114752068e-01 
4.44 -2.986638798e-01 
4.46 -2.862733765e-01 
4.48 -2.742925600e-01 
4.50 -2.627119252e-01 
4.52 -2.515225816e-01 
4.54 -2.407269675e-01 
4.56 -2.303366584e-01 
4.58 -2.203624289e-01 
4.60 -2.108131919e-01 
4.62 -2.016829735e-01 
4.64 -1.929637115e-01 
4.66 -1.846563419e-01 
4.68 -1.767670613e-01 
4.70 -1.693172644e-01 
4.72 -1.623297766e-01 
4.74 -1.558230009e-01 
4.76 -1.498177713e-01 
4.78 -1.443373462e-01 
4.80 -1.393522664e-01 
4.82 -1.345599325e-01 
4.84 -1.298244900e-01 
4.86 -1.251631907e-01 
4.88 -1.206104542e-01 
4.90 -1.161948522e-01 
4.92 -1.119400295e-01 
4.94 -1.078655541e-01 
4.96 -1.039880504e-01 
4.98 -1.002990886e-01 
5.00 -9.676803165e-02 
5.02 -9.337124958e-02 
5.04 -9.009208234e-02 
5.06 -8.691989590e-02 
5.08 -8.384927828e-02 
5.10 -8.087936276e-02 
5.12 -7.801324300e-02 
5.14 -7.525747795e-02 
5.16 -7.262166970e-02 
5.18 -7.013006298e-02 
5.20 -6.781188691e-02 
5.22 -6.568283259e-02 
5.24 -6.375935685e-02 
5.26 -6.205870424e-02 
5.28 -6.055463775e-02 
5.30 -5.904372351e-02 
5.32 -5.749719556e-02 
5.34 -5.591385723e-02 
5.36 -5.429269624e-02 
5.38 -5.263296058e-02 
5.40 -5.093423400e-02 
5.42 -4.919649849e-02 
5.44 -4.742019487e-02 
5.46 -4.560627688e-02 
5.48 -4.375625156e-02 
5.50 -4.185533763e-02 
5.52 -3.988568519e-02 
5.54 -3.786093836e-02 
5.56 -3.579505386e-02 
5.58 -3.370186711e-02 
5.60 -3.159502685e-02 
5.62 -2.948789924e-02 
5.64 -2.739346840e-02 
5.66 -2.532421824e-02 
5.68 -2.329202116e-02 
5.70 -2.130802683e-02 
5.72 -1.938255903e-02 
5.74 -1.752502732e-02 
5.76 -1.574385180e-02 
5.78 -1.404640996e-02 
5.80 -1.243900014e-02 
5.82 -1.092682432e-02 
5.84 -9.513989284e-03 
5.86 -8.203526761e-03 
5.88 -6.997421250e-03 
5.90 -5.896654128e-03 
5.92 -4.901249030e-03 
5.94 -4.010318997e-03 
5.96 -3.222111941e-03 
5.98 -2.534046263e-03 
6.00 -1.942736313e-03