# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Sun-Y-Mendelev-M-I-Zhang-F-et-al--Fe-Ni
# implementation = 2024--Sun-Y--Fe-Ni--LAMMPS--ipr1
# composition = Fe2Ni
# 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 2024-03-01

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  6.238995890e+04 
0.94  5.675200906e+04 
0.96  5.157754136e+04 
0.98  4.681995403e+04 
1.00  4.243822530e+04 
1.02  3.839580326e+04 
1.04  3.466044477e+04 
1.06  3.120380269e+04 
1.08  2.800051057e+04 
1.10  2.502787960e+04 
1.12  2.226569504e+04 
1.14  1.969592016e+04 
1.16  1.730232863e+04 
1.18  1.507025988e+04 
1.20  1.298645547e+04 
1.22  1.103895555e+04 
1.24  9.216960992e+03 
1.26  7.510690911e+03 
1.28  5.911261438e+03 
1.30  4.410550143e+03 
1.32  3.171305518e+03 
1.34  2.278180912e+03 
1.36  1.634593674e+03 
1.38  1.171895728e+03 
1.40  8.396438309e+02 
1.42  6.013457697e+02 
1.44  4.306661800e+02 
1.46  3.086039918e+02 
1.48  2.214497127e+02 
1.50  1.593185354e+02 
1.52  1.151241490e+02 
1.54  8.375803421e+01 
1.56  6.151105181e+01 
1.58  4.571985006e+01 
1.60  3.447337928e+01 
1.62  2.640889518e+01 
1.64  2.056541994e+01 
1.66  1.626984650e+01 
1.68  1.305263489e+01 
1.70  1.059318040e+01 
1.72  8.676944612e+00 
1.74  7.154594825e+00 
1.76  5.913493449e+00 
1.78  4.868135422e+00 
1.80  3.957342109e+00 
1.82  3.140982505e+00 
1.84  2.395329203e+00 
1.86  1.707943143e+00 
1.88  1.074283139e+00 
1.90  4.916195341e-01 
1.92 -4.448217692e-02 
1.94 -5.380724617e-01 
1.96 -9.915872493e-01 
1.98 -1.406457749e+00 
2.00 -1.784013089e+00 
2.02 -2.126047953e+00 
2.04 -2.434223497e+00 
2.06 -2.709076812e+00 
2.08 -2.949730232e+00 
2.10 -3.154069670e+00 
2.12 -3.320751614e+00 
2.14 -3.451707500e+00 
2.16 -3.552212725e+00 
2.18 -3.628730507e+00 
2.20 -3.687939348e+00 
2.22 -3.735985897e+00 
2.24 -3.777732793e+00 
2.26 -3.816176026e+00 
2.28 -3.852230251e+00 
2.30 -3.884944271e+00 
2.32 -3.912323773e+00 
2.34 -3.932726174e+00 
2.36 -3.945653325e+00 
2.38 -3.951086126e+00 
2.40 -3.949416446e+00 
2.42 -3.941376866e+00 
2.44 -3.928243529e+00 
2.46 -3.912019286e+00 
2.48 -3.894976284e+00 
2.50 -3.879203343e+00 
2.52 -3.866212634e+00 
2.54 -3.856548480e+00 
2.56 -3.849611381e+00 
2.58 -3.843961579e+00 
2.60 -3.837756493e+00 
2.62 -3.829223023e+00 
2.64 -3.816834392e+00 
2.66 -3.799310031e+00 
2.68 -3.775718601e+00 
2.70 -3.745551279e+00 
2.72 -3.708752714e+00 
2.74 -3.665711655e+00 
2.76 -3.617213852e+00 
2.78 -3.564360433e+00 
2.80 -3.508455599e+00 
2.82 -3.450873284e+00 
2.84 -3.392962156e+00 
2.86 -3.335967120e+00 
2.88 -3.280914530e+00 
2.90 -3.228503345e+00 
2.92 -3.179015515e+00 
2.94 -3.132255043e+00 
2.96 -3.087573561e+00 
2.98 -3.044338181e+00 
3.00 -3.002287981e+00 
3.02 -2.961499153e+00 
3.04 -2.922228752e+00 
3.06 -2.884707413e+00 
3.08 -2.849079832e+00 
3.10 -2.815396623e+00 
3.12 -2.783636076e+00 
3.14 -2.753747186e+00 
3.16 -2.725673960e+00 
3.18 -2.699263744e+00 
3.20 -2.674231868e+00 
3.22 -2.650193053e+00 
3.24 -2.626698304e+00 
3.26 -2.603272591e+00 
3.28 -2.579450957e+00 
3.30 -2.554811056e+00 
3.32 -2.529000505e+00 
3.34 -2.501757800e+00 
3.36 -2.472925927e+00 
3.38 -2.442458176e+00 
3.40 -2.410416032e+00 
3.42 -2.376959404e+00 
3.44 -2.342329813e+00 
3.46 -2.306827550e+00 
3.48 -2.270784176e+00 
3.50 -2.234532125e+00 
3.52 -2.198373528e+00 
3.54 -2.162550771e+00 
3.56 -2.127221658e+00 
3.58 -2.092442434e+00 
3.60 -2.058162292e+00 
3.62 -2.024233378e+00 
3.64 -1.990440644e+00 
3.66 -1.956556340e+00 
3.68 -1.922424140e+00 
3.70 -1.888040158e+00 
3.72 -1.853474718e+00 
3.74 -1.818800562e+00 
3.76 -1.784089227e+00 
3.78 -1.749410266e+00 
3.80 -1.714830450e+00 
3.82 -1.680412931e+00 
3.84 -1.646216399e+00 
3.86 -1.612294211e+00 
3.88 -1.578693505e+00 
3.90 -1.545454307e+00 
3.92 -1.512608624e+00 
3.94 -1.480179538e+00 
3.96 -1.448180295e+00 
3.98 -1.416613397e+00 
4.00 -1.385469708e+00 
4.02 -1.354727564e+00 
4.04 -1.324351904e+00 
4.06 -1.294293421e+00 
4.08 -1.264487738e+00 
4.10 -1.234854615e+00 
4.12 -1.205297193e+00 
4.14 -1.175701283e+00 
4.16 -1.145934688e+00 
4.18 -1.115855859e+00 
4.20 -1.085375083e+00 
4.22 -1.054483648e+00 
4.24 -1.023235219e+00 
4.26 -9.917275541e-01 
4.28 -9.600871356e-01 
4.30 -9.284564541e-01 
4.32 -8.969836971e-01 
4.34 -8.658146087e-01 
4.36 -8.350862636e-01 
4.38 -8.049225585e-01 
4.40 -7.754311703e-01 
4.42 -7.467018235e-01 
4.44 -7.188056318e-01 
4.46 -6.917954508e-01 
4.48 -6.657068066e-01 
4.50 -6.405593352e-01 
4.52 -6.163591878e-01 
4.54 -5.931011560e-01 
4.56 -5.707706166e-01 
4.58 -5.493475774e-01 
4.60 -5.288065822e-01 
4.62 -5.091225396e-01 
4.64 -4.902680723e-01 
4.66 -4.722213378e-01 
4.68 -4.549597798e-01 
4.70 -4.384685899e-01 
4.72 -4.227374420e-01 
4.74 -4.077546991e-01 
4.76 -3.935222471e-01 
4.78 -3.800399515e-01 
4.80 -3.672948019e-01 
4.82 -3.552953702e-01 
4.84 -3.440435185e-01 
4.86 -3.334251945e-01 
4.88 -3.233525317e-01 
4.90 -3.139620637e-01 
4.92 -3.053298529e-01 
4.94 -2.974903588e-01 
4.96 -2.905119713e-01 
4.98 -2.842847636e-01 
5.00 -2.783695050e-01 
5.02 -2.724352612e-01 
5.04 -2.661658505e-01 
5.06 -2.595038305e-01 
5.08 -2.524562532e-01 
5.10 -2.450337680e-01 
5.12 -2.372720562e-01 
5.14 -2.291272926e-01 
5.16 -2.204905868e-01 
5.18 -2.113117925e-01 
5.20 -2.015936669e-01 
5.22 -1.913867145e-01 
5.24 -1.807700794e-01 
5.26 -1.698129767e-01 
5.28 -1.586948833e-01 
5.30 -1.476078275e-01 
5.32 -1.366901192e-01 
5.34 -1.260402810e-01 
5.36 -1.157277913e-01 
5.38 -1.058012506e-01 
5.40 -9.629448049e-02 
5.42 -8.723098179e-02 
5.44 -7.862710337e-02 
5.46 -7.049421321e-02 
5.48 -6.284010915e-02 
5.50 -5.566986305e-02 
5.52 -4.898625483e-02 
5.54 -4.278992155e-02 
5.56 -3.707932064e-02 
5.58 -3.185058525e-02 
5.60 -2.709733164e-02 
5.62 -2.281046419e-02 
5.64 -1.897801191e-02 
5.66 -1.558502068e-02 
5.68 -1.261351769e-02 
5.70 -1.004255867e-02 
5.72 -7.848363298e-03 
5.74 -6.004540457e-03 
5.76 -4.482401941e-03 
5.78 -3.251360663e-03 
5.80 -2.279407544e-03 
5.82 -1.533659652e-03 
5.84 -9.809709080e-04 
5.86 -5.885955392e-04 
5.88 -3.248935875e-04 
5.90 -1.600668942e-04 
5.92 -6.691324231e-05 
5.94 -2.158559150e-05 
5.96 -4.342627340e-06 
5.98 -2.761360648e-07 
6.00 -1.044236769e-13