# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd
# implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1
# composition = CrPd2
# 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  9.629992764e+03 
0.90  8.735333739e+03 
0.92  7.929971059e+03 
0.94  7.206658860e+03 
0.96  6.556300843e+03 
0.98  5.968271624e+03 
1.00  5.431633401e+03 
1.02  4.938043919e+03 
1.04  4.483440796e+03 
1.06  4.064145223e+03 
1.08  3.676752766e+03 
1.10  3.318226529e+03 
1.12  2.985780128e+03 
1.14  2.676750273e+03 
1.16  2.388838737e+03 
1.18  2.120038149e+03 
1.20  1.868544979e+03 
1.22  1.632794072e+03 
1.24  1.411339435e+03 
1.26  1.203375040e+03 
1.28  1.018264204e+03 
1.30  8.631119378e+02 
1.32  7.328353082e+02 
1.34  6.232756876e+02 
1.36  5.310680026e+02 
1.38  4.532279655e+02 
1.40  3.871955696e+02 
1.42  3.310847062e+02 
1.44  2.833892478e+02 
1.46  2.428567017e+02 
1.48  2.084479941e+02 
1.50  1.792416194e+02 
1.52  1.543742632e+02 
1.54  1.330832354e+02 
1.56  1.147820941e+02 
1.58  9.906071712e+01 
1.60  8.558143944e+01 
1.62  7.403560968e+01 
1.64  6.412612875e+01 
1.66  5.559350970e+01 
1.68  4.822240362e+01 
1.70  4.184087508e+01 
1.72  3.630319314e+01 
1.74  3.148423489e+01 
1.76  2.727646886e+01 
1.78  2.358705874e+01 
1.80  2.033798675e+01 
1.82  1.746386681e+01 
1.84  1.490985775e+01 
1.86  1.263167428e+01 
1.88  1.059256305e+01 
1.90  8.761581594e+00 
1.92  7.114383697e+00 
1.94  5.637327337e+00 
1.96  4.321020673e+00 
1.98  3.158071902e+00 
2.00  2.142180198e+00 
2.02  1.268233580e+00 
2.04  5.320741280e-01 
2.06 -6.957120895e-02 
2.08 -5.392960499e-01 
2.10 -8.852810338e-01 
2.12 -1.134768691e+00 
2.14 -1.318474906e+00 
2.16 -1.466989681e+00 
2.18 -1.608217580e+00 
2.20 -1.748470701e+00 
2.22 -1.882583617e+00 
2.24 -2.004606503e+00 
2.26 -2.108372718e+00 
2.28 -2.192243621e+00 
2.30 -2.260263276e+00 
2.32 -2.316712546e+00 
2.34 -2.365750365e+00 
2.36 -2.410740148e+00 
2.38 -2.453072605e+00 
2.40 -2.492751778e+00 
2.42 -2.528797253e+00 
2.44 -2.560143678e+00 
2.46 -2.585700667e+00 
2.48 -2.605067969e+00 
2.50 -2.618540021e+00 
2.52 -2.626362476e+00 
2.54 -2.628590523e+00 
2.56 -2.625222267e+00 
2.58 -2.616336061e+00 
2.60 -2.602050302e+00 
2.62 -2.582543419e+00 
2.64 -2.558061411e+00 
2.66 -2.528834267e+00 
2.68 -2.495077285e+00 
2.70 -2.457006822e+00 
2.72 -2.414856359e+00 
2.74 -2.368937102e+00 
2.76 -2.319574837e+00 
2.78 -2.267185616e+00 
2.80 -2.212340480e+00 
2.82 -2.155619862e+00 
2.84 -2.097596667e+00 
2.86 -2.038836666e+00 
2.88 -1.979868678e+00 
2.90 -1.921097206e+00 
2.92 -1.862860265e+00 
2.94 -1.805486947e+00 
2.96 -1.749300906e+00 
2.98 -1.694620613e+00 
3.00 -1.641759582e+00 
3.02 -1.590992420e+00 
3.04 -1.542451637e+00 
3.06 -1.496202953e+00 
3.08 -1.452255249e+00 
3.10 -1.410506206e+00 
3.12 -1.370816859e+00 
3.14 -1.333051116e+00 
3.16 -1.297099169e+00 
3.18 -1.262861145e+00 
3.20 -1.230236362e+00 
3.22 -1.199123340e+00 
3.24 -1.169419841e+00 
3.26 -1.141022907e+00 
3.28 -1.113828894e+00 
3.30 -1.087733508e+00 
3.32 -1.062631833e+00 
3.34 -1.038418368e+00 
3.36 -1.014987055e+00 
3.38 -9.922338868e-01 
3.40 -9.700933478e-01 
3.42 -9.485296548e-01 
3.44 -9.275073651e-01 
3.46 -9.069906130e-01 
3.48 -8.869433091e-01 
3.50 -8.673303036e-01 
3.52 -8.481166910e-01 
3.54 -8.292672364e-01 
3.56 -8.107463922e-01 
3.58 -7.925183185e-01 
3.60 -7.745469019e-01 
3.62 -7.567957728e-01 
3.64 -7.392301420e-01 
3.66 -7.218308261e-01 
3.68 -7.045865853e-01 
3.70 -6.874860559e-01 
3.72 -6.705176963e-01 
3.74 -6.536698010e-01 
3.76 -6.369305148e-01 
3.78 -6.202878368e-01 
3.80 -6.037296428e-01 
3.82 -5.872436793e-01 
3.84 -5.708175836e-01 
3.86 -5.544388877e-01 
3.88 -5.380950163e-01 
3.90 -5.217733128e-01 
3.92 -5.054694937e-01 
3.94 -4.892013100e-01 
3.96 -4.729899816e-01 
3.98 -4.568566216e-01 
4.00 -4.408222250e-01 
4.02 -4.249076690e-01 
4.04 -4.091336996e-01 
4.06 -3.935208616e-01 
4.08 -3.780895367e-01 
4.10 -3.628599795e-01 
4.12 -3.478520526e-01 
4.14 -3.330854943e-01 
4.16 -3.185796435e-01 
4.18 -3.043534712e-01 
4.20 -2.904255916e-01 
4.22 -2.768142368e-01 
4.24 -2.635365625e-01 
4.26 -2.506103403e-01 
4.28 -2.380473460e-01 
4.30 -2.258577409e-01 
4.32 -2.140511183e-01 
4.34 -2.026303440e-01 
4.36 -1.915950217e-01 
4.38 -1.809382883e-01 
4.40 -1.706217950e-01 
4.42 -1.606192961e-01 
4.44 -1.509800669e-01 
4.46 -1.417313261e-01 
4.48 -1.329065101e-01 
4.50 -1.245188898e-01 
4.52 -1.164524368e-01 
4.54 -1.083867624e-01 
4.56 -1.003479361e-01 
4.58 -9.287710762e-02 
4.60 -8.644181279e-02 
4.62 -8.017982124e-02 
4.64 -7.278075479e-02 
4.66 -6.377874837e-02 
4.68 -5.318283893e-02 
4.70 -4.164859214e-02 
4.72 -3.039665102e-02 
4.74 -2.017260366e-02 
4.76 -1.134241640e-02 
4.78 -4.025379803e-03 
4.80  1.804077893e-03 
4.82  6.255394950e-03 
4.84  9.481263077e-03 
4.86  1.165020298e-02 
4.88  1.293092843e-02 
4.90  1.348217414e-02 
4.92  1.344785040e-02 
4.94  1.296233063e-02 
4.96  1.215314031e-02 
4.98  1.114338222e-02 
5.00  1.005382675e-02 
5.02  8.985724841e-03 
5.04  7.965683899e-03 
5.06  7.001560131e-03 
5.08  6.101110634e-03 
5.10  5.272045829e-03 
5.12  4.520120274e-03 
5.14  3.843321393e-03 
5.16  3.237695131e-03 
5.18  2.699287453e-03 
5.20  2.224144325e-03 
5.22  1.808311712e-03 
5.24  1.447835580e-03 
5.26  1.138761894e-03 
5.28  8.771366211e-04 
5.30  6.590057259e-04 
5.32  4.804151742e-04 
5.34  3.374109316e-04 
5.36  2.260389640e-04 
5.38  1.423452368e-04 
5.40  8.237571573e-05 
5.42  4.217636646e-05 
5.44  1.779315460e-05 
5.46  5.272045808e-06 
5.48  6.590057264e-07 
5.50  6.254857202e-11 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
5.64  0.000000000e+00 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00