# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni
# implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1
# composition = Cr2Ni
# 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  nan             
0.90  nan             
0.92  nan             
0.94  nan             
0.96  nan             
0.98  nan             
1.00  5.734993205e+04 
1.02  4.516498331e+04 
1.04  3.572890821e+04 
1.06  2.838609276e+04 
1.08  2.264552969e+04 
1.10  1.813748150e+04 
1.12  1.458206809e+04 
1.14  1.176635620e+04 
1.16  9.527554709e+03 
1.18  7.740622069e+03 
1.20  6.309077551e+03 
1.22  5.158152853e+03 
1.24  4.229660962e+03 
1.26  3.478134215e+03 
1.28  2.867903676e+03 
1.30  2.370879766e+03 
1.32  1.964860563e+03 
1.34  1.632235268e+03 
1.36  1.358985890e+03 
1.38  1.133917003e+03 
1.40  9.480585939e+02 
1.42  7.942007807e+02 
1.44  6.665306509e+02 
1.46  5.603481256e+02 
1.48  4.718421271e+02 
1.50  3.979140857e+02 
1.52  3.360376700e+02 
1.54  2.841477542e+02 
1.56  2.405516908e+02 
1.58  2.038585844e+02 
1.60  1.729230995e+02 
1.62  1.467997623e+02 
1.64  1.247059588e+02 
1.66  1.059926586e+02 
1.68  9.012050857e+01 
1.70  7.664037895e+01 
1.72  6.517761025e+01 
1.74  5.541912661e+01 
1.76  4.710273910e+01 
1.78  4.000834702e+01 
1.80  3.395095122e+01 
1.82  2.877486207e+01 
1.84  2.434872010e+01 
1.86  2.056156528e+01 
1.88  1.731959276e+01 
1.90  1.454340611e+01 
1.92  1.216573622e+01 
1.94  1.012940856e+01 
1.96  8.385655591e+00 
1.98  6.892770015e+00 
2.00  5.615152968e+00 
2.02  4.522417616e+00 
2.04  3.588602836e+00 
2.06  2.791416889e+00 
2.08  2.111748174e+00 
2.10  1.533204106e+00 
2.12  1.041700832e+00 
2.14  6.251329948e-01 
2.16  2.730949712e-01 
2.18 -2.335481142e-02 
2.20 -2.718932466e-01 
2.22 -4.791284857e-01 
2.24 -6.508359545e-01 
2.26 -7.920133962e-01 
2.28 -9.069632833e-01 
2.30 -9.993894004e-01 
2.32 -1.072472893e+00 
2.34 -1.128937465e+00 
2.36 -1.171161428e+00 
2.38 -1.201273994e+00 
2.40 -1.221127237e+00 
2.42 -1.232324365e+00 
2.44 -1.236250047e+00 
2.46 -1.234096310e+00 
2.48 -1.226884609e+00 
2.50 -1.215484619e+00 
2.52 -1.200630211e+00 
2.54 -1.182932997e+00 
2.56 -1.162893878e+00 
2.58 -1.140935370e+00 
2.60 -1.117443025e+00 
2.62 -1.092734132e+00 
2.64 -1.067070863e+00 
2.66 -1.040708559e+00 
2.68 -1.013879263e+00 
2.70 -9.867805232e-01 
2.72 -9.595697804e-01 
2.74 -9.323707448e-01 
2.76 -9.052868812e-01 
2.78 -8.784042452e-01 
2.80 -8.517935369e-01 
2.82 -8.255118256e-01 
2.84 -7.996039888e-01 
2.86 -7.741039052e-01 
2.88 -7.490401707e-01 
2.90 -7.244473804e-01 
2.92 -7.003574574e-01 
2.94 -6.767980236e-01 
2.96 -6.537929589e-01 
2.98 -6.313628501e-01 
3.00 -6.095253416e-01 
3.02 -5.882954022e-01 
3.04 -5.676855167e-01 
3.06 -5.477058129e-01 
3.08 -5.283641306e-01 
3.10 -5.096660421e-01 
3.12 -4.916148267e-01 
3.14 -4.742114090e-01 
3.16 -4.574542082e-01 
3.18 -4.413354806e-01 
3.20 -4.258396282e-01 
3.22 -4.109489842e-01 
3.24 -3.966441322e-01 
3.26 -3.829036279e-01 
3.28 -3.697037045e-01 
3.30 -3.570179647e-01 
3.32 -3.448191394e-01 
3.34 -3.330856022e-01 
3.36 -3.217958928e-01 
3.38 -3.109265322e-01 
3.40 -3.004517637e-01 
3.42 -2.903432867e-01 
3.44 -2.805699864e-01 
3.46 -2.710991580e-01 
3.48 -2.619132192e-01 
3.50 -2.530060006e-01 
3.52 -2.443721741e-01 
3.54 -2.360069958e-01 
3.56 -2.279062363e-01 
3.58 -2.200661094e-01 
3.60 -2.124831983e-01 
3.62 -2.051543809e-01 
3.64 -1.980767536e-01 
3.66 -1.912475536e-01 
3.68 -1.846640811e-01 
3.70 -1.783236200e-01 
3.72 -1.722233583e-01 
3.74 -1.663603074e-01 
3.76 -1.607312222e-01 
3.78 -1.553325191e-01 
3.80 -1.501601953e-01 
3.82 -1.452097470e-01 
3.84 -1.404760875e-01 
3.86 -1.359534656e-01 
3.88 -1.316353834e-01 
3.90 -1.275145144e-01 
3.92 -1.235826216e-01 
3.94 -1.198304755e-01 
3.96 -1.162477722e-01 
3.98 -1.128230512e-01 
4.00 -1.095436142e-01 
4.02 -1.063954429e-01 
4.04 -1.033631175e-01 
4.06 -1.004316211e-01 
4.08 -9.759456726e-02 
4.10 -9.484861700e-02 
4.12 -9.219055685e-02 
4.14 -8.961729282e-02 
4.16 -8.712584608e-02 
4.18 -8.471334867e-02 
4.20 -8.237703945e-02 
4.22 -8.011426002e-02 
4.24 -7.792245094e-02 
4.26 -7.579914799e-02 
4.28 -7.374197853e-02 
4.30 -7.174865805e-02 
4.32 -6.981698682e-02 
4.34 -6.794484666e-02 
4.36 -6.613019778e-02 
4.38 -6.437107583e-02 
4.40 -6.266558896e-02 
4.42 -6.101191508e-02 
4.44 -5.940829912e-02 
4.46 -5.785305050e-02 
4.48 -5.634433319e-02 
4.50 -5.487957935e-02 
4.52 -5.345618347e-02 
4.54 -5.207171642e-02 
4.56 -5.072391917e-02 
4.58 -4.941069681e-02 
4.60 -4.813011239e-02 
4.62 -4.688038102e-02 
4.64 -4.565986385e-02 
4.66 -4.446706220e-02 
4.68 -4.330061173e-02 
4.70 -4.215927659e-02 
4.72 -4.104194370e-02 
4.74 -3.994761702e-02 
4.76 -3.887541186e-02 
4.78 -3.782454923e-02 
4.80 -3.679435028e-02 
4.82 -3.578423072e-02 
4.84 -3.479369526e-02 
4.86 -3.382233216e-02 
4.88 -3.286980775e-02 
4.90 -3.193586097e-02 
4.92 -3.102029803e-02 
4.94 -3.012298698e-02 
4.96 -2.924385239e-02 
4.98 -2.838287005e-02 
5.00 -2.754006163e-02 
5.02 -2.671548948e-02 
5.04 -2.590925132e-02 
5.06 -2.512147506e-02 
5.08 -2.435231358e-02 
5.10 -2.360193959e-02 
5.12 -2.287054041e-02 
5.14 -2.215831290e-02 
5.16 -2.146543650e-02 
5.18 -2.079160186e-02 
5.20 -2.013605970e-02 
5.22 -1.949811616e-02 
5.24 -1.887714747e-02 
5.26 -1.827259246e-02 
5.28 -1.768394501e-02 
5.30 -1.711074653e-02 
5.32 -1.655257842e-02 
5.34 -1.600905454e-02 
5.36 -1.547981370e-02 
5.38 -1.496451209e-02 
5.40 -1.446281578e-02 
5.42 -1.397439317e-02 
5.44 -1.349890749e-02 
5.46 -1.303600922e-02 
5.48 -1.258532860e-02 
5.50 -1.214646810e-02 
5.52 -1.171899486e-02 
5.54 -1.130243316e-02 
5.56 -1.089625693e-02 
5.58 -1.049988218e-02 
5.60 -1.011265948e-02 
5.62 -9.733866429e-03 
5.64 -9.362700138e-03 
5.66 -8.998269674e-03 
5.68 -8.639588546e-03 
5.70 -8.285567171e-03 
5.72 -7.935008094e-03 
5.74 -7.587112862e-03 
5.76 -7.242140960e-03 
5.78 -6.900510432e-03 
5.80 -6.562655490e-03 
5.82 -6.229023643e-03 
5.84 -5.900072815e-03 
5.86 -5.576268470e-03 
5.88 -5.258080735e-03 
5.90 -4.945981518e-03 
5.92 -4.640441637e-03 
5.94 -4.341927938e-03 
5.96 -4.050900419e-03 
5.98 -3.767809352e-03 
6.00 -3.493092407e-03