# 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 = Cr2Fe
# 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  2.927429359e+05 
0.94  2.696746316e+05 
0.96  2.485002726e+05 
0.98  2.290298812e+05 
1.00  2.110957373e+05 
1.02  1.945496638e+05 
1.04  1.792608146e+05 
1.06  1.651133022e+05 
1.08  1.520037501e+05 
1.10  1.398394392e+05 
1.12  1.285372743e+05 
1.14  1.180229140e+05 
1.16  1.082296978e+05 
1.18  9.909752710e+04 
1.20  9.057214467e+04 
1.22  8.260459250e+04 
1.24  7.515061019e+04 
1.26  6.816994097e+04 
1.28  6.162575301e+04 
1.30  5.548455883e+04 
1.32  4.971597999e+04 
1.34  4.429245844e+04 
1.36  3.918901000e+04 
1.38  3.438296609e+04 
1.40  2.985363980e+04 
1.42  2.558201088e+04 
1.44  2.156077354e+04 
1.46  1.778446310e+04 
1.48  1.423253108e+04 
1.50  1.088679556e+04 
1.52  7.883262554e+03 
1.54  5.656356688e+03 
1.56  4.041137922e+03 
1.58  2.873226891e+03 
1.60  2.031795805e+03 
1.62  1.428078629e+03 
1.64  9.969476868e+02 
1.66  6.907164823e+02 
1.68  4.745337734e+02 
1.70  3.229818798e+02 
1.72  2.175719701e+02 
1.74  1.449068419e+02 
1.76  9.532070221e+01 
1.78  6.187089614e+01 
1.80  3.959840028e+01 
1.82  2.498414982e+01 
1.84  1.554941246e+01 
1.86  9.561741204e+00 
1.88  5.818973692e+00 
1.90  3.498412467e+00 
1.92  2.043273941e+00 
1.94  1.082402298e+00 
1.96  3.942150891e-01 
1.98 -1.463059649e-01 
2.00 -6.042892253e-01 
2.02 -1.009357163e+00 
2.04 -1.371546882e+00 
2.06 -1.692216920e+00 
2.08 -1.970923490e+00 
2.10 -2.209161988e+00 
2.12 -2.410879156e+00 
2.14 -2.581260877e+00 
2.16 -2.725607506e+00 
2.18 -2.848665571e+00 
2.20 -2.954035868e+00 
2.22 -3.048046527e+00 
2.24 -3.134345510e+00 
2.26 -3.213666076e+00 
2.28 -3.289192904e+00 
2.30 -3.363714780e+00 
2.32 -3.435678378e+00 
2.34 -3.499801753e+00 
2.36 -3.549418551e+00 
2.38 -3.580374523e+00 
2.40 -3.591668366e+00 
2.42 -3.584668603e+00 
2.44 -3.561407152e+00 
2.46 -3.523614396e+00 
2.48 -3.474038977e+00 
2.50 -3.417570244e+00 
2.52 -3.362150900e+00 
2.54 -3.316498713e+00 
2.56 -3.284758812e+00 
2.58 -3.266855154e+00 
2.60 -3.260067045e+00 
2.62 -3.260273793e+00 
2.64 -3.262972675e+00 
2.66 -3.263985261e+00 
2.68 -3.259902146e+00 
2.70 -3.248340872e+00 
2.72 -3.228042073e+00 
2.74 -3.198819218e+00 
2.76 -3.161371650e+00 
2.78 -3.116985022e+00 
2.80 -3.067118068e+00 
2.82 -3.012926696e+00 
2.84 -2.955322342e+00 
2.86 -2.895303024e+00 
2.88 -2.833915958e+00 
2.90 -2.772217407e+00 
2.92 -2.711279927e+00 
2.94 -2.652246440e+00 
2.96 -2.596370899e+00 
2.98 -2.544587879e+00 
3.00 -2.497150187e+00 
3.02 -2.453741243e+00 
3.04 -2.413673713e+00 
3.06 -2.376123806e+00 
3.08 -2.340301779e+00 
3.10 -2.305573391e+00 
3.12 -2.271520410e+00 
3.14 -2.237920676e+00 
3.16 -2.204651320e+00 
3.18 -2.171644612e+00 
3.20 -2.138895892e+00 
3.22 -2.106456934e+00 
3.24 -2.074424873e+00 
3.26 -2.042928802e+00 
3.28 -2.012115268e+00 
3.30 -1.982133737e+00 
3.32 -1.953122944e+00 
3.34 -1.925198896e+00 
3.36 -1.898445120e+00 
3.38 -1.872905619e+00 
3.40 -1.848580822e+00 
3.42 -1.825426673e+00 
3.44 -1.803356834e+00 
3.46 -1.782247843e+00 
3.48 -1.761946884e+00 
3.50 -1.742281696e+00 
3.52 -1.723071983e+00 
3.54 -1.704141524e+00 
3.56 -1.685330040e+00 
3.58 -1.666503704e+00 
3.60 -1.647563051e+00 
3.62 -1.628446849e+00 
3.64 -1.609130375e+00 
3.66 -1.589616367e+00 
3.68 -1.569916776e+00 
3.70 -1.550029994e+00 
3.72 -1.529944172e+00 
3.74 -1.509646116e+00 
3.76 -1.489121044e+00 
3.78 -1.468351968e+00 
3.80 -1.447319161e+00 
3.82 -1.425999771e+00 
3.84 -1.404367598e+00 
3.86 -1.382393107e+00 
3.88 -1.360043718e+00 
3.90 -1.337284425e+00 
3.92 -1.314078811e+00 
3.94 -1.290390507e+00 
3.96 -1.266185175e+00 
3.98 -1.241433069e+00 
4.00 -1.216112253e+00 
4.02 -1.190212549e+00 
4.04 -1.163740291e+00 
4.06 -1.136723964e+00 
4.08 -1.109220821e+00 
4.10 -1.081324551e+00 
4.12 -1.053174107e+00 
4.14 -1.024963767e+00 
4.16 -9.969545378e-01 
4.18 -9.694708108e-01 
4.20 -9.428001446e-01 
4.22 -9.171305230e-01 
4.24 -8.925653287e-01 
4.26 -8.691403907e-01 
4.28 -8.468385776e-01 
4.30 -8.256021822e-01 
4.32 -8.053432756e-01 
4.34 -7.859523325e-01 
4.36 -7.673052318e-01 
4.38 -7.492689440e-01 
4.40 -7.317060358e-01 
4.42 -7.144781934e-01 
4.44 -6.974489637e-01 
4.46 -6.804858938e-01 
4.48 -6.634622243e-01 
4.50 -6.462583022e-01 
4.52 -6.287628905e-01 
4.54 -6.108745023e-01 
4.56 -5.925028878e-01 
4.58 -5.735708335e-01 
4.60 -5.540164703e-01 
4.62 -5.337962543e-01 
4.64 -5.128880631e-01 
4.66 -4.912958129e-01 
4.68 -4.690549820e-01 
4.70 -4.462375678e-01 
4.72 -4.229615641e-01 
4.74 -3.993961940e-01 
4.76 -3.757759614e-01 
4.78 -3.524058632e-01 
4.80 -3.296805529e-01 
4.82 -3.080794045e-01 
4.84 -2.880458322e-01 
4.86 -2.698804250e-01 
4.88 -2.537355774e-01 
4.90 -2.396569093e-01 
4.92 -2.276120741e-01 
4.94 -2.174768128e-01 
4.96 -2.089669509e-01 
4.98 -2.019975064e-01 
5.00 -1.964605507e-01 
5.02 -1.921990511e-01 
5.04 -1.890697585e-01 
5.06 -1.868357350e-01 
5.08 -1.849665533e-01 
5.10 -1.830359812e-01 
5.12 -1.806791075e-01 
5.14 -1.777835171e-01 
5.16 -1.743056134e-01 
5.18 -1.702328413e-01 
5.20 -1.655837309e-01 
5.22 -1.602744032e-01 
5.24 -1.542534717e-01 
5.26 -1.475265609e-01 
5.28 -1.401411373e-01 
5.30 -1.321742479e-01 
5.32 -1.237070023e-01 
5.34 -1.149171234e-01 
5.36 -1.060014333e-01 
5.38 -9.710963379e-02 
5.40 -8.835699821e-02 
5.42 -7.983366641e-02 
5.44 -7.161127552e-02 
5.46 -6.374753909e-02 
5.48 -5.628927782e-02 
5.50 -4.927431184e-02 
5.52 -4.273254619e-02 
5.54 -3.668651443e-02 
5.56 -3.115158979e-02 
5.58 -2.613602669e-02 
5.60 -2.164095619e-02 
5.62 -1.766042667e-02 
5.64 -1.418155397e-02 
5.66 -1.118482266e-02 
5.68 -8.644561445e-03 
5.70 -6.529600288e-03 
5.72 -4.804103568e-03 
5.74 -3.428562774e-03 
5.76 -2.360922874e-03 
5.78 -1.557808417e-03 
5.80 -9.758084803e-04 
5.82 -5.727732694e-04 
5.84 -3.090695790e-04 
5.86 -1.487370654e-04 
5.88 -6.048238499e-05 
5.90 -1.844354819e-05 
5.92 -2.652277843e-06 
5.94  8.823161004e-07 
5.96  5.498618131e-07 
5.98  6.017918353e-08 
6.00  3.355876866e-14