# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn
# implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1
# composition = Fe2Ni
# 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  6.870980265e+04 
0.90  6.251598600e+04 
0.92  5.692316887e+04 
0.94  5.185822025e+04 
0.96  4.725509816e+04 
0.98  4.305615199e+04 
1.00  3.922137735e+04 
1.02  3.572296630e+04 
1.04  3.252379291e+04 
1.06  2.959649497e+04 
1.08  2.691394491e+04 
1.10  2.444943282e+04 
1.12  2.219401530e+04 
1.14  2.012926829e+04 
1.16  1.822858005e+04 
1.18  1.647759393e+04 
1.20  1.486498616e+04 
1.22  1.337546839e+04 
1.24  1.199655732e+04 
1.26  1.071813910e+04 
1.28  9.531084028e+03 
1.30  8.427027323e+03 
1.32  7.398236474e+03 
1.34  6.440549007e+03 
1.36  5.554397333e+03 
1.38  4.737704370e+03 
1.40  3.980788547e+03 
1.42  3.273835090e+03 
1.44  2.611199870e+03 
1.46  2.015866840e+03 
1.48  1.549739462e+03 
1.50  1.194049949e+03 
1.52  9.235543829e+02 
1.54  7.158492354e+02 
1.56  5.551744005e+02 
1.58  4.305183265e+02 
1.60  3.337288893e+02 
1.62  2.585461674e+02 
1.64  2.001521836e+02 
1.66  1.548841585e+02 
1.68  1.198351921e+02 
1.70  9.263974794e+01 
1.72  7.145858258e+01 
1.74  5.491634141e+01 
1.76  4.198269522e+01 
1.78  3.187123306e+01 
1.80  2.397358871e+01 
1.82  1.781655285e+01 
1.84  1.302631272e+01 
1.86  9.309212795e+00 
1.88  6.437698880e+00 
1.90  4.232054873e+00 
1.92  2.544473283e+00 
1.94  1.251392608e+00 
1.96  2.548667464e-01 
1.98 -5.193514755e-01 
2.00 -1.128168005e+00 
2.02 -1.614499585e+00 
2.04 -2.007994659e+00 
2.06 -2.330670201e+00 
2.08 -2.599529980e+00 
2.10 -2.827205270e+00 
2.12 -3.021182755e+00 
2.14 -3.186206647e+00 
2.16 -3.325402109e+00 
2.18 -3.440777332e+00 
2.20 -3.534260063e+00 
2.22 -3.607339598e+00 
2.24 -3.660943316e+00 
2.26 -3.695795808e+00 
2.28 -3.713082873e+00 
2.30 -3.715815727e+00 
2.32 -3.709469703e+00 
2.34 -3.701099747e+00 
2.36 -3.696581896e+00 
2.38 -3.697547890e+00 
2.40 -3.701452983e+00 
2.42 -3.704759054e+00 
2.44 -3.705126302e+00 
2.46 -3.701614701e+00 
2.48 -3.694166172e+00 
2.50 -3.682852881e+00 
2.52 -3.667774835e+00 
2.54 -3.649061938e+00 
2.56 -3.626872433e+00 
2.58 -3.601391097e+00 
2.60 -3.572823397e+00 
2.62 -3.541359912e+00 
2.64 -3.507190881e+00 
2.66 -3.470524740e+00 
2.68 -3.431586227e+00 
2.70 -3.390628280e+00 
2.72 -3.348030789e+00 
2.74 -3.304136321e+00 
2.76 -3.259112150e+00 
2.78 -3.213115366e+00 
2.80 -3.166317745e+00 
2.82 -3.118916010e+00 
2.84 -3.071132290e+00 
2.86 -3.023191147e+00 
2.88 -2.975288703e+00 
2.90 -2.927593997e+00 
2.92 -2.880270838e+00 
2.94 -2.833491079e+00 
2.96 -2.787407202e+00 
2.98 -2.741972252e+00 
3.00 -2.697035511e+00 
3.02 -2.652430784e+00 
3.04 -2.607976172e+00 
3.06 -2.563466613e+00 
3.08 -2.518662385e+00 
3.10 -2.473247288e+00 
3.12 -2.426813981e+00 
3.14 -2.378899216e+00 
3.16 -2.328991335e+00 
3.18 -2.276555220e+00 
3.20 -2.221094258e+00 
3.22 -2.162281292e+00 
3.24 -2.100234526e+00 
3.26 -2.035734352e+00 
3.28 -1.970323609e+00 
3.30 -1.906207052e+00 
3.32 -1.845739532e+00 
3.34 -1.790624604e+00 
3.36 -1.741304410e+00 
3.38 -1.696969108e+00 
3.40 -1.656102063e+00 
3.42 -1.617117337e+00 
3.44 -1.578773592e+00 
3.46 -1.540372507e+00 
3.48 -1.501715797e+00 
3.50 -1.462835832e+00 
3.52 -1.423772192e+00 
3.54 -1.384548916e+00 
3.56 -1.345170277e+00 
3.58 -1.305615341e+00 
3.60 -1.265832797e+00 
3.62 -1.225732460e+00 
3.64 -1.185179848e+00 
3.66 -1.143988249e+00 
3.68 -1.101919855e+00 
3.70 -1.058691675e+00 
3.72 -1.014006541e+00 
3.74 -9.676053756e-01 
3.76 -9.193641840e-01 
3.78 -8.694174181e-01 
3.80 -8.182668765e-01 
3.82 -7.667856942e-01 
3.84 -7.165474049e-01 
3.86 -6.705966055e-01 
3.88 -6.086299289e-01 
3.90 -5.566443523e-01 
3.92 -5.237086170e-01 
3.94 -5.036902023e-01 
3.96 -4.906388259e-01 
3.98 -4.808227856e-01 
4.00 -4.722500365e-01 
4.02 -4.642176152e-01 
4.04 -4.566045790e-01 
4.06 -4.493362156e-01 
4.08 -4.423332448e-01 
4.10 -4.354973264e-01 
4.12 -4.287537572e-01 
4.14 -4.220312242e-01 
4.16 -4.152675281e-01 
4.18 -4.084586521e-01 
4.20 -4.016193208e-01 
4.22 -3.945927597e-01 
4.24 -3.873842322e-01 
4.26 -3.801141104e-01 
4.28 -3.728791312e-01 
4.30 -3.657563072e-01 
4.32 -3.588062564e-01 
4.34 -3.520760343e-01 
4.36 -3.456015372e-01 
4.38 -3.394104762e-01 
4.40 -3.336616919e-01 
4.42 -3.282991577e-01 
4.44 -3.231319512e-01 
4.46 -3.180149593e-01 
4.48 -3.128409928e-01 
4.50 -3.075340997e-01 
4.52 -3.020417725e-01 
4.54 -2.963237707e-01 
4.56 -2.903544881e-01 
4.58 -2.841216988e-01 
4.60 -2.776237190e-01 
4.62 -2.708670374e-01 
4.64 -2.638643410e-01 
4.66 -2.566328802e-01 
4.68 -2.491931177e-01 
4.70 -2.415550361e-01 
4.72 -2.337102999e-01 
4.74 -2.257353282e-01 
4.76 -2.177024903e-01 
4.78 -2.096714527e-01 
4.80 -2.016909646e-01 
4.82 -1.938003941e-01 
4.84 -1.860310478e-01 
4.86 -1.784072989e-01 
4.88 -1.709475478e-01 
4.90 -1.636650346e-01 
4.92 -1.565685183e-01 
4.94 -1.496628373e-01 
4.96 -1.429493608e-01 
4.98 -1.364263391e-01 
5.00 -1.300891580e-01 
5.02 -1.239305007e-01 
5.04 -1.179404187e-01 
5.06 -1.121063107e-01 
5.08 -1.064128116e-01 
5.10 -1.008415924e-01 
5.12 -9.537108211e-02 
5.14 -8.997613623e-02 
5.16 -8.462770579e-02 
5.18 -7.929261312e-02 
5.20 -7.393362914e-02 
5.22 -6.851018754e-02 
5.24 -6.298027651e-02 
5.26 -5.730430664e-02 
5.28 -5.145198085e-02 
5.30 -4.541315269e-02 
5.32 -3.921287481e-02 
5.34 -3.292864350e-02 
5.36 -2.670392643e-02 
5.38 -2.074777101e-02 
5.40 -1.530988311e-02 
5.42 -1.062933623e-02 
5.44 -6.872221241e-03 
5.46 -4.086616487e-03 
5.48 -2.197369501e-03 
5.50 -1.040140581e-03 
5.52 -4.136318003e-04 
5.54 -1.261398721e-04 
5.56 -2.391382030e-05 
5.58 -1.431700388e-06 
5.60 -8.144816884e-12 
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