# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2019--Mendelev-M-I--Fe-Ni-Cr
# implementation = 2019--Mendelev-M-I--Fe-Ni-Cr--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 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  3.733683637e+05 
0.94  3.454009105e+05 
0.96  3.197267715e+05 
0.98  2.961159862e+05 
1.00  2.743654752e+05 
1.02  2.542958522e+05 
1.04  2.357487234e+05 
1.06  2.185836406e+05 
1.08  2.026753258e+05 
1.10  1.879115382e+05 
1.12  1.741919726e+05 
1.14  1.614264432e+05 
1.16  1.495340617e+05 
1.18  1.384421311e+05 
1.20  1.280849913e+05 
1.22  1.184033705e+05 
1.24  1.093436556e+05 
1.26  1.008570870e+05 
1.28  9.289913152e+04 
1.30  8.542927849e+04 
1.32  7.841071120e+04 
1.34  7.181004106e+04 
1.36  6.559701808e+04 
1.38  5.974423347e+04 
1.40  5.422665285e+04 
1.42  4.902126565e+04 
1.44  4.410683532e+04 
1.46  3.946381130e+04 
1.48  3.507423261e+04 
1.50  3.092151641e+04 
1.52  2.699027128e+04 
1.54  2.326620644e+04 
1.56  1.973605726e+04 
1.58  1.638752521e+04 
1.60  1.320921977e+04 
1.62  1.019058148e+04 
1.64  7.516286039e+03 
1.66  5.513950120e+03 
1.68  4.028768163e+03 
1.70  2.930303883e+03 
1.72  2.120485091e+03 
1.74  1.525676410e+03 
1.76  1.090644808e+03 
1.78  7.740073741e+02 
1.80  5.448011586e+02 
1.82  3.799062482e+02 
1.84  2.621002253e+02 
1.86  1.785952225e+02 
1.88  1.199291620e+02 
1.90  7.912531952e+01 
1.92  5.106065276e+01 
1.94  3.199357415e+01 
1.96  1.921494131e+01 
1.98  1.077963329e+01 
2.00  5.303302549e+00 
2.02  1.810557095e+00 
2.04 -3.773890019e-01 
2.06 -1.725484553e+00 
2.08 -2.546139850e+00 
2.10 -3.044375428e+00 
2.12 -3.327875417e+00 
2.14 -3.473848879e+00 
2.16 -3.551767669e+00 
2.18 -3.601303690e+00 
2.20 -3.641968419e+00 
2.22 -3.674687172e+00 
2.24 -3.694993727e+00 
2.26 -3.716836593e+00 
2.28 -3.750106254e+00 
2.30 -3.784559979e+00 
2.32 -3.808722000e+00 
2.34 -3.817494423e+00 
2.36 -3.810812496e+00 
2.38 -3.791331320e+00 
2.40 -3.761527431e+00 
2.42 -3.723208018e+00 
2.44 -3.677685808e+00 
2.46 -3.626150715e+00 
2.48 -3.570422309e+00 
2.50 -3.513569681e+00 
2.52 -3.460250437e+00 
2.54 -3.415484972e+00 
2.56 -3.381706995e+00 
2.58 -3.358760246e+00 
2.60 -3.344683620e+00 
2.62 -3.336497171e+00 
2.64 -3.330829417e+00 
2.66 -3.324410296e+00 
2.68 -3.314513106e+00 
2.70 -3.299273409e+00 
2.72 -3.277870010e+00 
2.74 -3.250557629e+00 
2.76 -3.218511390e+00 
2.78 -3.183447694e+00 
2.80 -3.146982868e+00 
2.82 -3.109808499e+00 
2.84 -3.071946496e+00 
2.86 -3.033575178e+00 
2.88 -2.995021460e+00 
2.90 -2.956655185e+00 
2.92 -2.918788699e+00 
2.94 -2.881585217e+00 
2.96 -2.845002439e+00 
2.98 -2.808956068e+00 
3.00 -2.773462713e+00 
3.02 -2.738599433e+00 
3.04 -2.704443417e+00 
3.06 -2.671020538e+00 
3.08 -2.638300177e+00 
3.10 -2.606212128e+00 
3.12 -2.574677960e+00 
3.14 -2.543651351e+00 
3.16 -2.513140836e+00 
3.18 -2.483148712e+00 
3.20 -2.453638145e+00 
3.22 -2.424540716e+00 
3.24 -2.395766675e+00 
3.26 -2.367215712e+00 
3.28 -2.338787447e+00 
3.30 -2.310390970e+00 
3.32 -2.281952863e+00 
3.34 -2.253423294e+00 
3.36 -2.224779872e+00 
3.38 -2.196029092e+00 
3.40 -2.167205316e+00 
3.42 -2.138367374e+00 
3.44 -2.109592975e+00 
3.46 -2.080971258e+00 
3.48 -2.052593947e+00 
3.50 -2.024545664e+00 
3.52 -1.996894125e+00 
3.54 -1.969681031e+00 
3.56 -1.942914622e+00 
3.58 -1.916564960e+00 
3.60 -1.890563150e+00 
3.62 -1.864805836e+00 
3.64 -1.839166421e+00 
3.66 -1.813514583e+00 
3.68 -1.787745785e+00 
3.70 -1.761809473e+00 
3.72 -1.735682617e+00 
3.74 -1.709345764e+00 
3.76 -1.682782538e+00 
3.78 -1.655980070e+00 
3.80 -1.628929368e+00 
3.82 -1.601625617e+00 
3.84 -1.574068416e+00 
3.86 -1.546261944e+00 
3.88 -1.518215066e+00 
3.90 -1.489941366e+00 
3.92 -1.461459120e+00 
3.94 -1.432791207e+00 
3.96 -1.403964965e+00 
3.98 -1.375011995e+00 
4.00 -1.345967911e+00 
4.02 -1.316872057e+00 
4.04 -1.287767184e+00 
4.06 -1.258699105e+00 
4.08 -1.229716326e+00 
4.10 -1.200869676e+00 
4.12 -1.172211931e+00 
4.14 -1.143797456e+00 
4.16 -1.115681867e+00 
4.18 -1.087921232e+00 
4.20 -1.060568063e+00 
4.22 -1.033667875e+00 
4.24 -1.007258106e+00 
4.26 -9.813673613e-01 
4.28 -9.560148291e-01 
4.30 -9.312098712e-01 
4.32 -9.069517801e-01 
4.34 -8.832297057e-01 
4.36 -8.600227488e-01 
4.38 -8.373002213e-01 
4.40 -8.150220815e-01 
4.42 -7.931395476e-01 
4.44 -7.715958919e-01 
4.46 -7.503274257e-01 
4.48 -7.292647118e-01 
4.50 -7.083339415e-01 
4.52 -6.874586014e-01 
4.54 -6.665613512e-01 
4.56 -6.455661449e-01 
4.58 -6.244006761e-01 
4.60 -6.029991000e-01 
4.62 -5.813050800e-01 
4.64 -5.592751776e-01 
4.66 -5.368826164e-01 
4.68 -5.141214551e-01 
4.70 -4.910112393e-01 
4.72 -4.676019635e-01 
4.74 -4.439795475e-01 
4.76 -4.202721315e-01 
4.78 -3.966568186e-01 
4.80 -3.733659178e-01 
4.82 -3.506902664e-01 
4.84 -3.289125329e-01 
4.86 -3.082487738e-01 
4.88 -2.888467478e-01 
4.90 -2.708029820e-01 
4.92 -2.541593153e-01 
4.94 -2.389254248e-01 
4.96 -2.250750894e-01 
4.98 -2.125446873e-01 
5.00 -2.012710350e-01 
5.02 -1.911602301e-01 
5.04 -1.819725652e-01 
5.06 -1.737222110e-01 
5.08 -1.664358506e-01 
5.10 -1.600898411e-01 
5.12 -1.546985460e-01 
5.14 -1.500055280e-01 
5.16 -1.455378009e-01 
5.18 -1.409157829e-01 
5.20 -1.359460860e-01 
5.22 -1.306460873e-01 
5.24 -1.250542288e-01 
5.26 -1.192431966e-01 
5.28 -1.131679121e-01 
5.30 -1.067740288e-01 
5.32 -1.000679077e-01 
5.34 -9.309556886e-02 
5.36 -8.592478671e-02 
5.38 -7.862951799e-02 
5.40 -7.140699721e-02 
5.42 -6.441964447e-02 
5.44 -5.776772730e-02 
5.46 -5.150828524e-02 
5.48 -4.566910401e-02 
5.50 -4.025883851e-02 
5.52 -3.527417442e-02 
5.54 -3.070474380e-02 
5.56 -2.653636455e-02 
5.58 -2.275305478e-02 
5.60 -1.933817420e-02 
5.62 -1.627496560e-02 
5.64 -1.354670445e-02 
5.66 -1.113661317e-02 
5.68 -9.027655473e-03 
5.70 -7.202293887e-03 
5.72 -5.642268338e-03 
5.74 -4.328434214e-03 
5.76 -3.240683647e-03 
5.78 -2.357962583e-03 
5.80 -1.658387962e-03 
5.82 -1.119463297e-03 
5.84 -7.183865674e-04 
5.86 -4.324411705e-04 
5.88 -2.394584339e-04 
5.90 -1.183385238e-04 
5.92 -4.961536079e-05 
5.94 -1.605016606e-05 
5.96 -3.237432927e-06 
5.98 -2.063549422e-07 
6.00 -8.050911688e-14