# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Al-Cr
# implementation = 2024--Mendelev-M-I--Ni-Al-Cr--LAMMPS--ipr1
# composition = Cr2Ni
# 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 2024-11-27

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  nan             
0.98  2.002605206e+07 
1.00  1.406526742e+07 
1.02  9.913794397e+06 
1.04  7.010104803e+06 
1.06  4.971127547e+06 
1.08  3.534100996e+06 
1.10  2.517870730e+06 
1.12  1.796966670e+06 
1.14  1.284097106e+06 
1.16  9.182766925e+05 
1.18  6.570364960e+05 
1.20  4.703322394e+05 
1.22  3.367209776e+05 
1.24  2.410086157e+05 
1.26  1.723980270e+05 
1.28  1.231977039e+05 
1.30  8.791613666e+04 
1.32  6.262456281e+04 
1.34  4.450770703e+04 
1.36  3.154536055e+04 
1.38  2.228601664e+04 
1.40  1.568560153e+04 
1.42  1.099266240e+04 
1.44  7.666250839e+03 
1.46  5.317089641e+03 
1.48  3.665200745e+03 
1.50  2.509383013e+03 
1.52  1.705273444e+03 
1.54  1.149498718e+03 
1.56  7.682149861e+02 
1.58  5.087830664e+02 
1.60  3.338706295e+02 
1.62  2.171347430e+02 
1.64  1.400710316e+02 
1.66  8.978411380e+01 
1.68  5.736549924e+01 
1.70  3.671695530e+01 
1.72  2.370824443e+01 
1.74  1.557494108e+01 
1.76  1.049808607e+01 
1.78  7.299891872e+00 
1.80  5.229791007e+00 
1.82  3.793681005e+00 
1.84  2.691005687e+00 
1.86  1.770425995e+00 
1.88  9.541660591e-01 
1.90  2.061345522e-01 
1.92 -4.896961506e-01 
1.94 -1.139277876e+00 
1.96 -1.741658178e+00 
1.98 -2.294800951e+00 
2.00 -2.795465457e+00 
2.02 -3.240525394e+00 
2.04 -3.628692308e+00 
2.06 -3.961158648e+00 
2.08 -4.242307208e+00 
2.10 -4.478947660e+00 
2.12 -4.678707530e+00 
2.14 -4.847491114e+00 
2.16 -4.988946642e+00 
2.18 -5.106441842e+00 
2.20 -5.203426352e+00 
2.22 -5.283584186e+00 
2.24 -5.350889301e+00 
2.26 -5.409350889e+00 
2.28 -5.462952933e+00 
2.30 -5.515382971e+00 
2.32 -5.569160196e+00 
2.34 -5.624042416e+00 
2.36 -5.676746230e+00 
2.38 -5.723365204e+00 
2.40 -5.760620122e+00 
2.42 -5.786334065e+00 
2.44 -5.799867682e+00 
2.46 -5.802386595e+00 
2.48 -5.796136375e+00 
2.50 -5.784557097e+00 
2.52 -5.772511108e+00 
2.54 -5.764644768e+00 
2.56 -5.762464069e+00 
2.58 -5.764657444e+00 
2.60 -5.767883198e+00 
2.62 -5.767261257e+00 
2.64 -5.757427281e+00 
2.66 -5.734262301e+00 
2.68 -5.695131107e+00 
2.70 -5.638630577e+00 
2.72 -5.564395657e+00 
2.74 -5.472969605e+00 
2.76 -5.365708471e+00 
2.78 -5.244443118e+00 
2.80 -5.111313913e+00 
2.82 -4.969020710e+00 
2.84 -4.820511041e+00 
2.86 -4.668486127e+00 
2.88 -4.515367577e+00 
2.90 -4.363290522e+00 
2.92 -4.214067820e+00 
2.94 -4.069140141e+00 
2.96 -3.929520283e+00 
2.98 -3.795817109e+00 
3.00 -3.668283654e+00 
3.02 -3.546716212e+00 
3.04 -3.430573755e+00 
3.06 -3.319252699e+00 
3.08 -3.212188727e+00 
3.10 -3.108935800e+00 
3.12 -3.009244842e+00 
3.14 -2.913141900e+00 
3.16 -2.820956482e+00 
3.18 -2.733147993e+00 
3.20 -2.650180029e+00 
3.22 -2.572480142e+00 
3.24 -2.500405336e+00 
3.26 -2.434212141e+00 
3.28 -2.374032615e+00 
3.30 -2.319857313e+00 
3.32 -2.271525933e+00 
3.34 -2.228726054e+00 
3.36 -2.191000032e+00 
3.38 -2.157759833e+00 
3.40 -2.128309252e+00 
3.42 -2.101872648e+00 
3.44 -2.077629012e+00 
3.46 -2.054749868e+00 
3.48 -2.032439196e+00 
3.50 -2.009973228e+00 
3.52 -1.986737688e+00 
3.54 -1.962259684e+00 
3.56 -1.936231185e+00 
3.58 -1.908520679e+00 
3.60 -1.879169282e+00 
3.62 -1.848367283e+00 
3.64 -1.816406751e+00 
3.66 -1.783605555e+00 
3.68 -1.750197905e+00 
3.70 -1.716234534e+00 
3.72 -1.681687585e+00 
3.74 -1.646542694e+00 
3.76 -1.610802492e+00 
3.78 -1.574486274e+00 
3.80 -1.537629495e+00 
3.82 -1.500283091e+00 
3.84 -1.462512618e+00 
3.86 -1.424397198e+00 
3.88 -1.386028235e+00 
3.90 -1.347507915e+00 
3.92 -1.308947438e+00 
3.94 -1.270465005e+00 
3.96 -1.232183497e+00 
3.98 -1.194227858e+00 
4.00 -1.156722146e+00 
4.02 -1.119786234e+00 
4.04 -1.083532134e+00 
4.06 -1.048059879e+00 
4.08 -1.013453021e+00 
4.10 -9.797737137e-01 
4.12 -9.470572336e-01 
4.14 -9.153058584e-01 
4.16 -8.844826419e-01 
4.18 -8.545065901e-01 
4.20 -8.252666592e-01 
4.22 -7.966419913e-01 
4.24 -7.685115573e-01 
4.26 -7.407632170e-01 
4.28 -7.132978185e-01 
4.30 -6.860352516e-01 
4.32 -6.589146259e-01 
4.34 -6.318977239e-01 
4.36 -6.049676598e-01 
4.38 -5.781274747e-01 
4.40 -5.514018851e-01 
4.42 -5.248294487e-01 
4.44 -4.984648454e-01 
4.46 -4.723770959e-01 
4.48 -4.466379705e-01 
4.50 -4.213277718e-01 
4.52 -3.965341189e-01 
4.54 -3.723423172e-01 
4.56 -3.488232125e-01 
4.58 -3.260605968e-01 
4.60 -3.041350594e-01 
4.62 -2.831222464e-01 
4.64 -2.629783952e-01 
4.66 -2.437570159e-01 
4.68 -2.256206766e-01 
4.70 -2.086957173e-01 
4.72 -1.930875308e-01 
4.74 -1.788852973e-01 
4.76 -1.662574089e-01 
4.78 -1.551414431e-01 
4.80 -1.453796405e-01 
4.82 -1.369026862e-01 
4.84 -1.295951967e-01 
4.86 -1.234215385e-01 
4.88 -1.183574120e-01 
4.90 -1.143367387e-01 
4.92 -1.112612883e-01 
4.94 -1.090310599e-01 
4.96 -1.074798146e-01 
4.98 -1.063896502e-01 
5.00 -1.055720836e-01 
5.02 -1.048688088e-01 
5.04 -1.041521575e-01 
5.06 -1.033249511e-01 
5.08 -1.023194638e-01 
5.10 -1.010826661e-01 
5.12 -9.961561356e-02 
5.14 -9.799179294e-02 
5.16 -9.626730122e-02 
5.18 -9.447644531e-02 
5.20 -9.262610105e-02 
5.22 -9.069039961e-02 
5.24 -8.862966357e-02 
5.26 -8.640803396e-02 
5.28 -8.399627670e-02 
5.30 -8.137306003e-02 
5.32 -7.852563913e-02 
5.34 -7.545005562e-02 
5.36 -7.215094531e-02 
5.38 -6.864103553e-02 
5.40 -6.494040213e-02 
5.42 -6.107554718e-02 
5.44 -5.707834992e-02 
5.46 -5.298493654e-02 
5.48 -4.883450792e-02 
5.50 -4.466815916e-02 
5.52 -4.052771981e-02 
5.54 -3.645463971e-02 
5.56 -3.248894141e-02 
5.58 -2.866825726e-02 
5.60 -2.502696587e-02 
5.62 -2.159544070e-02 
5.64 -1.839942057e-02 
5.66 -1.545951029e-02 
5.68 -1.279081753e-02 
5.70 -1.040273003e-02 
5.72 -8.298836091e-03 
5.74 -6.476989196e-03 
5.76 -4.929516597e-03 
5.78 -3.643569915e-03 
5.80 -2.601614648e-03 
5.82 -1.782054040e-03 
5.84 -1.159981477e-03 
5.86 -7.080542598e-04 
5.88 -3.974803378e-04 
5.90 -1.991082756e-04 
5.92 -8.460948068e-05 
5.94 -2.774042315e-05 
5.96 -5.671314321e-06 
5.98 -3.664315528e-07 
6.00  4.181969332e-14