# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Chrobak-D-Majtyka-Pilat-A-Ziolkowski-G-Chrobak-A--In-P
# implementation = 2022--Chrobak-D--In-P--LAMMPS--ipr1
# composition = InP2
# 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  2.361303211e+03 
0.74  2.119639152e+03 
0.76  1.906010966e+03 
0.78  1.718411281e+03 
0.80  1.550807556e+03 
0.82  1.401805123e+03 
0.84  1.270063936e+03 
0.86  1.152156323e+03 
0.88  1.046190360e+03 
0.90  9.516926980e+02 
0.92  8.670300015e+02 
0.94  7.907956020e+02 
0.96  7.212495685e+02 
0.98  6.583655561e+02 
1.00  6.023946377e+02 
1.02  5.519755316e+02 
1.04  5.061921592e+02 
1.06  4.644680523e+02 
1.08  4.263074336e+02 
1.10  3.912551197e+02 
1.12  3.595169590e+02 
1.14  3.309378971e+02 
1.16  3.048133133e+02 
1.18  2.808881763e+02 
1.20  2.590601195e+02 
1.22  2.390655520e+02 
1.24  2.206349272e+02 
1.26  2.037191288e+02 
1.28  1.881936565e+02 
1.30  1.736511786e+02 
1.32  1.601928425e+02 
1.34  1.479727615e+02 
1.36  1.369410083e+02 
1.38  1.267896547e+02 
1.40  1.174083298e+02 
1.42  1.087336154e+02 
1.44  1.007078698e+02 
1.46  9.327387428e+01 
1.48  8.635713992e+01 
1.50  7.990760148e+01 
1.52  7.391504579e+01 
1.54  6.838218400e+01 
1.56  6.329575778e+01 
1.58  5.858870104e+01 
1.60  5.421879466e+01 
1.62  5.016065038e+01 
1.64  4.639096926e+01 
1.66  4.288835214e+01 
1.68  3.961042312e+01 
1.70  3.640372333e+01 
1.72  3.332938177e+01 
1.74  3.048895472e+01 
1.76  2.795172272e+01 
1.78  2.572966499e+01 
1.80  2.367033876e+01 
1.82  2.170363151e+01 
1.84  1.982751688e+01 
1.86  1.805680001e+01 
1.88  1.642840187e+01 
1.90  1.498188379e+01 
1.92  1.367230178e+01 
1.94  1.245323002e+01 
1.96  1.131869801e+01 
1.98  1.026313702e+01 
2.00  9.281351445e+00 
2.02  8.368492368e+00 
2.04  7.520033170e+00 
2.06  6.731746965e+00 
2.08  5.999685766e+00 
2.10  5.306734504e+00 
2.12  4.634406749e+00 
2.14  3.989514751e+00 
2.16  3.383978319e+00 
2.18  2.834336006e+00 
2.20  2.355574260e+00 
2.22  1.939681153e+00 
2.24  1.556774998e+00 
2.26  1.203684312e+00 
2.28  8.784239744e-01 
2.30  5.791367565e-01 
2.32  3.040849251e-01 
2.34  5.164242476e-02 
2.36 -1.797124000e-01 
2.38 -3.914035851e-01 
2.40 -5.847638663e-01 
2.42 -7.610405703e-01 
2.44 -9.214011102e-01 
2.46 -1.066938113e+00 
2.48 -1.198674203e+00 
2.50 -1.317566475e+00 
2.52 -1.425943943e+00 
2.54 -1.537440283e+00 
2.56 -1.662633583e+00 
2.58 -1.818689035e+00 
2.60 -2.033591641e+00 
2.62 -2.344633662e+00 
2.64 -2.766875136e+00 
2.66 -3.155939207e+00 
2.68 -3.291235645e+00 
2.70 -3.289765365e+00 
2.72 -3.279967215e+00 
2.74 -3.265979318e+00 
2.76 -3.248168960e+00 
2.78 -3.226878926e+00 
2.80 -3.202428997e+00 
2.82 -3.175117364e+00 
2.84 -3.145221956e+00 
2.86 -3.113001692e+00 
2.88 -3.078697651e+00 
2.90 -3.042534182e+00 
2.92 -3.004719942e+00 
2.94 -2.965448876e+00 
2.96 -2.924901130e+00 
2.98 -2.883243924e+00 
3.00 -2.840632359e+00 
3.02 -2.797210184e+00 
3.04 -2.753110512e+00 
3.06 -2.708456497e+00 
3.08 -2.663361969e+00 
3.10 -2.617932031e+00 
3.12 -2.572263615e+00 
3.14 -2.526446015e+00 
3.16 -2.480561378e+00 
3.18 -2.434685170e+00 
3.20 -2.388886613e+00 
3.22 -2.305330115e+00 
3.24 -2.147522899e+00 
3.26 -1.919014041e+00 
3.28 -1.630717028e+00 
3.30 -1.302696645e+00 
3.32 -9.514083971e-01 
3.34 -5.827263478e-01 
3.36 -2.659278932e-01 
3.38 -6.662851276e-02 
3.40  0.000000000e+00 
3.42  0.000000000e+00 
3.44  0.000000000e+00 
3.46  0.000000000e+00 
3.48  0.000000000e+00 
3.50  0.000000000e+00 
3.52  0.000000000e+00 
3.54  0.000000000e+00 
3.56  0.000000000e+00 
3.58  0.000000000e+00 
3.60  0.000000000e+00 
3.62  0.000000000e+00 
3.64  0.000000000e+00 
3.66  0.000000000e+00 
3.68  0.000000000e+00 
3.70  0.000000000e+00 
3.72  0.000000000e+00 
3.74  0.000000000e+00 
3.76  0.000000000e+00 
3.78  0.000000000e+00 
3.80  0.000000000e+00 
3.82  0.000000000e+00 
3.84  0.000000000e+00 
3.86  0.000000000e+00 
3.88  0.000000000e+00 
3.90  0.000000000e+00 
3.92  0.000000000e+00 
3.94  0.000000000e+00 
3.96  0.000000000e+00 
3.98  0.000000000e+00 
4.00  0.000000000e+00 
4.02  0.000000000e+00 
4.04  0.000000000e+00 
4.06  0.000000000e+00 
4.08  0.000000000e+00 
4.10  0.000000000e+00 
4.12  0.000000000e+00 
4.14  0.000000000e+00 
4.16  0.000000000e+00 
4.18  0.000000000e+00 
4.20  0.000000000e+00 
4.22  0.000000000e+00 
4.24  0.000000000e+00 
4.26  0.000000000e+00 
4.28  0.000000000e+00 
4.30  0.000000000e+00 
4.32  0.000000000e+00 
4.34  0.000000000e+00 
4.36  0.000000000e+00 
4.38  0.000000000e+00 
4.40  0.000000000e+00 
4.42  0.000000000e+00 
4.44  0.000000000e+00 
4.46  0.000000000e+00 
4.48  0.000000000e+00 
4.50  0.000000000e+00 
4.52  0.000000000e+00 
4.54  0.000000000e+00 
4.56  0.000000000e+00 
4.58  0.000000000e+00 
4.60  0.000000000e+00 
4.62  0.000000000e+00 
4.64  0.000000000e+00 
4.66  0.000000000e+00 
4.68  0.000000000e+00 
4.70  0.000000000e+00 
4.72  0.000000000e+00 
4.74  0.000000000e+00 
4.76  0.000000000e+00 
4.78  0.000000000e+00 
4.80  0.000000000e+00 
4.82  0.000000000e+00 
4.84  0.000000000e+00 
4.86  0.000000000e+00 
4.88  0.000000000e+00 
4.90  0.000000000e+00 
4.92  0.000000000e+00 
4.94  0.000000000e+00 
4.96  0.000000000e+00 
4.98  0.000000000e+00 
5.00  0.000000000e+00 
5.02  0.000000000e+00 
5.04  0.000000000e+00 
5.06  0.000000000e+00 
5.08  0.000000000e+00 
5.10  0.000000000e+00 
5.12  0.000000000e+00 
5.14  0.000000000e+00 
5.16  0.000000000e+00 
5.18  0.000000000e+00 
5.20  0.000000000e+00 
5.22  0.000000000e+00 
5.24  0.000000000e+00 
5.26  0.000000000e+00 
5.28  0.000000000e+00 
5.30  0.000000000e+00 
5.32  0.000000000e+00 
5.34  0.000000000e+00 
5.36  0.000000000e+00 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
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