# 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 = FeNi2
# 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  3.428739437e+04 
0.94  3.125011355e+04 
0.96  2.846366406e+04 
0.98  2.590261527e+04 
1.00  2.354458743e+04 
1.02  2.136950016e+04 
1.04  1.935971405e+04 
1.06  1.749996350e+04 
1.08  1.577662340e+04 
1.10  1.417752216e+04 
1.12  1.269182683e+04 
1.14  1.130985477e+04 
1.16  1.002287103e+04 
1.18  8.822979006e+03 
1.20  7.703050192e+03 
1.22  6.656662158e+03 
1.24  5.678002117e+03 
1.26  4.761770909e+03 
1.28  3.903127044e+03 
1.30  3.097650905e+03 
1.32  2.341388753e+03 
1.34  1.709458080e+03 
1.36  1.247047027e+03 
1.38  9.087641578e+02 
1.40  6.627038536e+02 
1.42  4.837723633e+02 
1.44  3.536592768e+02 
1.46  2.590517488e+02 
1.48  1.902630827e+02 
1.50  1.402420774e+02 
1.52  1.038908918e+02 
1.54  7.748819510e+01 
1.56  5.828456913e+01 
1.58  4.427614566e+01 
1.60  3.400374584e+01 
1.62  2.641078448e+01 
1.64  2.074039348e+01 
1.66  1.645328042e+01 
1.68  1.316522084e+01 
1.70  1.060574970e+01 
1.72  8.585824769e+00 
1.74  6.969314829e+00 
1.76  5.652886023e+00 
1.78  4.556680597e+00 
1.80  3.620694267e+00 
1.82  2.801777783e+00 
1.84  2.069585575e+00 
1.86  1.402445047e+00 
1.88  7.851942935e-01 
1.90  2.082312914e-01 
1.92 -3.336310937e-01 
1.94 -8.416969527e-01 
1.96 -1.314205952e+00 
1.98 -1.748250941e+00 
2.00 -2.141579053e+00 
2.02 -2.493679839e+00 
2.04 -2.805301316e+00 
2.06 -3.077348119e+00 
2.08 -3.310502225e+00 
2.10 -3.505242544e+00 
2.12 -3.662770034e+00 
2.14 -3.786293750e+00 
2.16 -3.880861237e+00 
2.18 -3.951733600e+00 
2.20 -4.003776071e+00 
2.22 -4.041106659e+00 
2.24 -4.066803316e+00 
2.26 -4.082698888e+00 
2.28 -4.089456062e+00 
2.30 -4.086888563e+00 
2.32 -4.074669152e+00 
2.34 -4.053057951e+00 
2.36 -4.023203919e+00 
2.38 -3.986832547e+00 
2.40 -3.946128707e+00 
2.42 -3.903540867e+00 
2.44 -3.861354844e+00 
2.46 -3.821537831e+00 
2.48 -3.785692718e+00 
2.50 -3.754937026e+00 
2.52 -3.729738898e+00 
2.54 -3.709687925e+00 
2.56 -3.693417950e+00 
2.58 -3.678949221e+00 
2.60 -3.664105317e+00 
2.62 -3.646915762e+00 
2.64 -3.625765247e+00 
2.66 -3.599393067e+00 
2.68 -3.566957443e+00 
2.70 -3.528067669e+00 
2.72 -3.482778943e+00 
2.74 -3.431555086e+00 
2.76 -3.375203809e+00 
2.78 -3.314789038e+00 
2.80 -3.251524441e+00 
2.82 -3.186657302e+00 
2.84 -3.121400620e+00 
2.86 -3.056889236e+00 
2.88 -2.994103898e+00 
2.90 -2.933801316e+00 
2.92 -2.876458365e+00 
2.94 -2.822233884e+00 
2.96 -2.770976690e+00 
2.98 -2.722466578e+00 
3.00 -2.676591629e+00 
3.02 -2.633314098e+00 
3.04 -2.592594568e+00 
3.06 -2.554314251e+00 
3.08 -2.518271593e+00 
3.10 -2.484208646e+00 
3.12 -2.451855454e+00 
3.14 -2.420985741e+00 
3.16 -2.391445692e+00 
3.18 -2.363060237e+00 
3.20 -2.335590632e+00 
3.22 -2.308755170e+00 
3.24 -2.282252988e+00 
3.26 -2.255787402e+00 
3.28 -2.229087393e+00 
3.30 -2.201926070e+00 
3.32 -2.174135238e+00 
3.34 -2.145615375e+00 
3.36 -2.116340607e+00 
3.38 -2.086358495e+00 
3.40 -2.055784683e+00 
3.42 -2.024792710e+00 
3.44 -1.993599515e+00 
3.46 -1.962447423e+00 
3.48 -1.931583614e+00 
3.50 -1.901238350e+00 
3.52 -1.871603444e+00 
3.54 -1.842812725e+00 
3.56 -1.814926464e+00 
3.58 -1.787921990e+00 
3.60 -1.761692963e+00 
3.62 -1.736059985e+00 
3.64 -1.710795519e+00 
3.66 -1.685666275e+00 
3.68 -1.660496438e+00 
3.70 -1.635226743e+00 
3.72 -1.609853658e+00 
3.74 -1.584375477e+00 
3.76 -1.558790350e+00 
3.78 -1.533096509e+00 
3.80 -1.507292493e+00 
3.82 -1.481377390e+00 
3.84 -1.455351077e+00 
3.86 -1.429214450e+00 
3.88 -1.402969656e+00 
3.90 -1.376620306e+00 
3.92 -1.350171669e+00 
3.94 -1.323630835e+00 
3.96 -1.297006855e+00 
3.98 -1.270310834e+00 
4.00 -1.243555979e+00 
4.02 -1.216757591e+00 
4.04 -1.189932998e+00 
4.06 -1.163101412e+00 
4.08 -1.136283710e+00 
4.10 -1.109502123e+00 
4.12 -1.082779830e+00 
4.14 -1.056140437e+00 
4.16 -1.029607347e+00 
4.18 -1.003203405e+00 
4.20 -9.769527359e-01 
4.22 -9.508811385e-01 
4.24 -9.250145742e-01 
4.26 -8.993779719e-01 
4.28 -8.739944370e-01 
4.30 -8.488847620e-01 
4.32 -8.240672324e-01 
4.34 -7.995576979e-01 
4.36 -7.753698154e-01 
4.38 -7.515154641e-01 
4.40 -7.280052611e-01 
4.42 -7.048491896e-01 
4.44 -6.820572472e-01 
4.46 -6.596400633e-01 
4.48 -6.376095310e-01 
4.50 -6.159794795e-01 
4.52 -5.947663379e-01 
4.54 -5.739889616e-01 
4.56 -5.536696461e-01 
4.58 -5.338340752e-01 
4.60 -5.145104947e-01 
4.62 -4.957315873e-01 
4.64 -4.775307445e-01 
4.66 -4.599459559e-01 
4.68 -4.430140383e-01 
4.70 -4.267732612e-01 
4.72 -4.112635215e-01 
4.74 -3.965144356e-01 
4.76 -3.825612354e-01 
4.78 -3.694315639e-01 
4.80 -3.571278026e-01 
4.82 -3.456656305e-01 
4.84 -3.350471294e-01 
4.86 -3.251622506e-01 
4.88 -3.158876385e-01 
4.90 -3.073434032e-01 
4.92 -2.995864874e-01 
4.94 -2.926274897e-01 
4.96 -2.865060480e-01 
4.98 -2.810952323e-01 
5.00 -2.759275465e-01 
5.02 -2.706493474e-01 
5.04 -2.649300621e-01 
5.06 -2.587059103e-01 
5.08 -2.519854245e-01 
5.10 -2.447880982e-01 
5.12 -2.371649337e-01 
5.14 -2.290922618e-01 
5.16 -2.204839415e-01 
5.18 -2.113115007e-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