# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi
# implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1
# composition = CuFe2
# 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 2026-06-16

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  3.224168073e+02 
0.80  3.021699223e+02 
0.82  2.831275585e+02 
0.84  2.652192325e+02 
0.86  2.483786227e+02 
0.88  2.325433157e+02 
0.90  2.176545679e+02 
0.92  2.036570837e+02 
0.94  1.904988075e+02 
0.96  1.781307288e+02 
0.98  1.665066997e+02 
1.00  1.555832645e+02 
1.02  1.453194987e+02 
1.04  1.356768595e+02 
1.06  1.266190443e+02 
1.08  1.181118584e+02 
1.10  1.101230910e+02 
1.12  1.026223984e+02 
1.14  9.558119436e+01 
1.16  8.897254723e+01 
1.18  8.277108321e+01 
1.20  7.695289535e+01 
1.22  7.149545809e+01 
1.24  6.637754690e+01 
1.26  6.157916268e+01 
1.28  5.708146068e+01 
1.30  5.286668356e+01 
1.32  4.891809859e+01 
1.34  4.521993834e+01 
1.36  4.175734508e+01 
1.38  3.851631823e+01 
1.40  3.548366510e+01 
1.42  3.264695441e+01 
1.44  2.999447253e+01 
1.46  2.751518231e+01 
1.48  2.519868430e+01 
1.50  2.303518020e+01 
1.52  2.101543847e+01 
1.54  1.913076192e+01 
1.56  1.737295717e+01 
1.58  1.573430586e+01 
1.60  1.420753757e+01 
1.62  1.278580423e+01 
1.64  1.146265607e+01 
1.66  1.023201889e+01 
1.68  9.088172694e+00 
1.70  8.025731462e+00 
1.72  7.039624172e+00 
1.74  6.125076829e+00 
1.76  5.277595565e+00 
1.78  4.492950665e+00 
1.80  3.767161533e+00 
1.82  3.096482477e+00 
1.84  2.477389330e+00 
1.86  1.906566805e+00 
1.88  1.380896576e+00 
1.90  8.974460309e-01 
1.92  4.534576522e-01 
1.94  4.633900714e-02 
1.96 -3.263467174e-01 
1.98 -6.668900764e-01 
2.00 -9.774434027e-01 
2.02 -1.260025660e+00 
2.04 -1.516537487e+00 
2.06 -1.750013342e+00 
2.08 -1.969673359e+00 
2.10 -2.162204210e+00 
2.12 -2.330865370e+00 
2.14 -2.481353254e+00 
2.16 -2.614963930e+00 
2.18 -2.732912675e+00 
2.20 -2.836338676e+00 
2.22 -2.926309473e+00 
2.24 -3.003825152e+00 
2.26 -3.069822302e+00 
2.28 -3.125177752e+00 
2.30 -3.170712096e+00 
2.32 -3.207193021e+00 
2.34 -3.235338446e+00 
2.36 -3.255819488e+00 
2.38 -3.269263253e+00 
2.40 -3.276255476e+00 
2.42 -3.277343010e+00 
2.44 -3.273036168e+00 
2.46 -3.263810938e+00 
2.48 -3.250111071e+00 
2.50 -3.232350043e+00 
2.52 -3.210912914e+00 
2.54 -3.186158074e+00 
2.56 -3.158418890e+00 
2.58 -3.128005258e+00 
2.60 -3.095205065e+00 
2.62 -3.060285566e+00 
2.64 -3.023494682e+00 
2.66 -2.985062221e+00 
2.68 -2.945201030e+00 
2.70 -2.904108072e+00 
2.72 -2.861965451e+00 
2.74 -2.818941366e+00 
2.76 -2.775191015e+00 
2.78 -2.730857441e+00 
2.80 -2.686072333e+00 
2.82 -2.640956771e+00 
2.84 -2.595621934e+00 
2.86 -2.550169759e+00 
2.88 -2.504693566e+00 
2.90 -2.459278639e+00 
2.92 -2.414002775e+00 
2.94 -2.368936799e+00 
2.96 -2.324145046e+00 
2.98 -2.279685814e+00 
3.00 -2.235611786e+00 
3.02 -2.191970434e+00 
3.04 -2.148804383e+00 
3.06 -2.106151767e+00 
3.08 -2.064046549e+00 
3.10 -2.022518834e+00 
3.12 -1.981595148e+00 
3.14 -1.941298708e+00 
3.16 -1.901649671e+00 
3.18 -1.862665365e+00 
3.20 -1.824360508e+00 
3.22 -1.786747410e+00 
3.24 -1.749836158e+00 
3.26 -1.713634795e+00 
3.28 -1.678149481e+00 
3.30 -1.643384644e+00 
3.32 -1.609343120e+00 
3.34 -1.576026280e+00 
3.36 -1.543434156e+00 
3.38 -1.511565405e+00 
3.40 -1.479561259e+00 
3.42 -1.439901739e+00 
3.44 -1.380031548e+00 
3.46 -1.311597602e+00 
3.48 -1.285608072e+00 
3.50 -1.262764633e+00 
3.52 -1.240426300e+00 
3.54 -1.218587806e+00 
3.56 -1.197243259e+00 
3.58 -1.176386175e+00 
3.60 -1.156009507e+00 
3.62 -1.136105673e+00 
3.64 -1.116666579e+00 
3.66 -1.097683645e+00 
3.68 -1.079147822e+00 
3.70 -1.061049612e+00 
3.72 -1.043379088e+00 
3.74 -1.026125912e+00 
3.76 -1.009279350e+00 
3.78 -9.928282928e-01 
3.80 -9.767612759e-01 
3.82 -9.610664984e-01 
3.84 -9.457318474e-01 
3.86 -9.307449229e-01 
3.88 -9.160930662e-01 
3.90 -9.017633917e-01 
3.92 -8.860960037e-01 
3.94 -8.479960388e-01 
3.96 -7.285390426e-01 
3.98 -4.274611469e-01 
4.00 -2.142467343e-22 
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