# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn
# implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1
# composition = CuMn2
# 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 2024-01-04

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  9.852757638e+02 
0.90  9.067897934e+02 
0.92  8.353807644e+02 
0.94  7.703837203e+02 
0.96  7.113007899e+02 
0.98  6.575794630e+02 
1.00  6.086254862e+02 
1.02  5.638976746e+02 
1.04  5.229497027e+02 
1.06  4.853491183e+02 
1.08  4.507537457e+02 
1.10  4.188666440e+02 
1.12  3.894256905e+02 
1.14  3.622021332e+02 
1.16  3.369577237e+02 
1.18  3.134418185e+02 
1.20  2.913968304e+02 
1.22  2.706183226e+02 
1.24  2.509967651e+02 
1.26  2.324994425e+02 
1.28  2.151069730e+02 
1.30  1.987788879e+02 
1.32  1.834425150e+02 
1.34  1.690193904e+02 
1.36  1.554469628e+02 
1.38  1.427036317e+02 
1.40  1.307893659e+02 
1.42  1.197008281e+02 
1.44  1.094001158e+02 
1.46  9.982413823e+01 
1.48  9.090596261e+01 
1.50  8.258847521e+01 
1.52  7.484108109e+01 
1.54  6.763889171e+01 
1.56  6.096258976e+01 
1.58  5.479614424e+01 
1.60  4.911608259e+01 
1.62  4.389588102e+01 
1.64  3.910867729e+01 
1.66  3.472522936e+01 
1.68  3.071803325e+01 
1.70  2.706193698e+01 
1.72  2.373074998e+01 
1.74  2.069757071e+01 
1.76  1.794231051e+01 
1.78  1.545156844e+01 
1.80  1.321054075e+01 
1.82  1.120401486e+01 
1.84  9.414686188e+00 
1.86  7.822149488e+00 
1.88  6.405608312e+00 
1.90  5.145412949e+00 
1.92  4.025091734e+00 
1.94  3.031998200e+00 
1.96  2.155652980e+00 
1.98  1.385675885e+00 
2.00  7.116404640e-01 
2.02  1.225365276e-01 
2.04 -3.903373053e-01 
2.06 -8.338246413e-01 
2.08 -1.213892295e+00 
2.10 -1.536474884e+00 
2.12 -1.807286031e+00 
2.14 -2.030400525e+00 
2.16 -2.209063516e+00 
2.18 -2.346467388e+00 
2.20 -2.445426457e+00 
2.22 -2.508900118e+00 
2.24 -2.541153705e+00 
2.26 -2.549496869e+00 
2.28 -2.541970542e+00 
2.30 -2.526616772e+00 
2.32 -2.510717458e+00 
2.34 -2.498353225e+00 
2.36 -2.491015255e+00 
2.38 -2.487255328e+00 
2.40 -2.485290558e+00 
2.42 -2.483322026e+00 
2.44 -2.479541612e+00 
2.46 -2.472178691e+00 
2.48 -2.460365532e+00 
2.50 -2.444094463e+00 
2.52 -2.423650358e+00 
2.54 -2.399548936e+00 
2.56 -2.372285072e+00 
2.58 -2.342390797e+00 
2.60 -2.310437942e+00 
2.62 -2.277029619e+00 
2.64 -2.242792388e+00 
2.66 -2.208377214e+00 
2.68 -2.174106077e+00 
2.70 -2.139831738e+00 
2.72 -2.105365874e+00 
2.74 -2.070507786e+00 
2.76 -2.035043002e+00 
2.78 -1.998743801e+00 
2.80 -1.961370834e+00 
2.82 -1.922677094e+00 
2.84 -1.882598742e+00 
2.86 -1.841416250e+00 
2.88 -1.799444253e+00 
2.90 -1.756996139e+00 
2.92 -1.714385817e+00 
2.94 -1.671929642e+00 
2.96 -1.629927138e+00 
2.98 -1.588552397e+00 
3.00 -1.547819235e+00 
3.02 -1.507448634e+00 
3.04 -1.467122805e+00 
3.06 -1.426532050e+00 
3.08 -1.385373281e+00 
3.10 -1.343347744e+00 
3.12 -1.300158369e+00 
3.14 -1.255507494e+00 
3.16 -1.209242440e+00 
3.18 -1.161741056e+00 
3.20 -1.113502573e+00 
3.22 -1.065029743e+00 
3.24 -1.016830707e+00 
3.26 -9.694194620e-01 
3.28 -9.233410400e-01 
3.30 -8.792121096e-01 
3.32 -8.375524578e-01 
3.34 -7.983200455e-01 
3.36 -7.612867522e-01 
3.38 -7.262166546e-01 
3.40 -6.928648071e-01 
3.42 -6.609780994e-01 
3.44 -6.302955531e-01 
3.46 -6.005479414e-01 
3.48 -5.714866000e-01 
3.50 -5.430735727e-01 
3.52 -5.153637098e-01 
3.54 -4.884060302e-01 
3.56 -4.622432377e-01 
3.58 -4.369121362e-01 
3.60 -4.124495678e-01 
3.62 -3.888938454e-01 
3.64 -3.662784530e-01 
3.66 -3.446317300e-01 
3.68 -3.239775239e-01 
3.70 -3.043352107e-01 
3.72 -2.857204958e-01 
3.74 -2.681453805e-01 
3.76 -2.516188964e-01 
3.78 -2.361470985e-01 
3.80 -2.217295292e-01 
3.82 -2.083716131e-01 
3.84 -1.960772188e-01 
3.86 -1.848456243e-01 
3.88 -1.746733997e-01 
3.90 -1.655501797e-01 
3.92 -1.574111286e-01 
3.94 -1.501601447e-01 
3.96 -1.437003348e-01 
3.98 -1.379356759e-01 
4.00 -1.327704310e-01 
4.02 -1.281158625e-01 
4.04 -1.239168357e-01 
4.06 -1.201271098e-01 
4.08 -1.167006312e-01 
4.10 -1.135892869e-01 
4.12 -1.107458504e-01 
4.14 -1.081242342e-01 
4.16 -1.056785673e-01 
4.18 -1.033628599e-01 
4.20 -1.011264476e-01 
4.22 -9.892990363e-02 
4.24 -9.676675995e-02 
4.26 -9.463825758e-02 
4.28 -9.254558323e-02 
4.30 -9.048973949e-02 
4.32 -8.843510904e-02 
4.34 -8.637377399e-02 
4.36 -8.433219291e-02 
4.38 -8.233145135e-02 
4.40 -8.038806901e-02 
4.42 -7.851470207e-02 
4.44 -7.672075297e-02 
4.46 -7.501289897e-02 
4.48 -7.341339189e-02 
4.50 -7.194021682e-02 
4.52 -7.053312090e-02 
4.54 -6.914048335e-02 
4.56 -6.772173496e-02 
4.58 -6.624550109e-02 
4.60 -6.468800311e-02 
4.62 -6.303168651e-02 
4.64 -6.126404868e-02 
4.66 -5.937664286e-02 
4.68 -5.736423854e-02 
4.70 -5.522412226e-02 
4.72 -5.295532608e-02 
4.74 -5.054443962e-02 
4.76 -4.801038514e-02 
4.78 -4.538714494e-02 
4.80 -4.270361512e-02 
4.82 -3.998451282e-02 
4.84 -3.725119914e-02 
4.86 -3.452242613e-02 
4.88 -3.181501120e-02 
4.90 -2.914443589e-02 
4.92 -2.652535958e-02 
4.94 -2.397203144e-02 
4.96 -2.149857837e-02 
4.98 -1.911914299e-02 
5.00 -1.684784796e-02 
5.02 -1.469857123e-02 
5.04 -1.268453424e-02 
5.06 -1.081772985e-02 
5.08 -9.108245765e-03 
5.10 -7.563566496e-03 
5.12 -6.187953123e-03 
5.14 -4.982000202e-03 
5.16 -3.942448428e-03 
5.18 -3.062294139e-03 
5.20 -2.331190407e-03 
5.22 -1.736090201e-03 
5.24 -1.262049806e-03 
5.26 -8.930958407e-04 
5.28 -6.130625655e-04 
5.30 -4.063239468e-04 
5.32 -2.583711543e-04 
5.34 -1.562143165e-04 
5.36 -8.861207630e-05 
5.38 -4.615049763e-05 
5.40 -2.120306576e-05 
5.42 -7.806619924e-06 
5.44 -1.485837118e-06 
5.46  9.465405178e-07 
5.48  1.593292579e-06 
5.50  1.666379655e-06 
5.52  1.666666667e-06 
5.54  1.666666667e-06 
5.56  1.666666667e-06 
5.58  1.666666667e-06 
5.60  1.666666667e-06 
5.62  1.666666667e-06 
5.64  1.666666667e-06 
5.66  1.666666667e-06 
5.68  1.666666667e-06 
5.70  1.666666667e-06 
5.72  1.666666667e-06 
5.74  1.666666667e-06 
5.76  1.666666667e-06 
5.78  1.666666667e-06 
5.80  1.666666667e-06 
5.82  1.666666667e-06 
5.84  1.666666667e-06 
5.86  1.666666667e-06 
5.88  1.666666667e-06 
5.90  1.666666667e-06 
5.92  1.666666667e-06 
5.94  1.666666667e-06 
5.96  1.666666667e-06 
5.98  1.666666667e-06 
6.00  1.666666667e-06