# 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 = 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 2022-05-24

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  5.642963114e+04 
1.02  4.443907307e+04 
1.04  3.515365914e+04 
1.06  2.792818947e+04 
1.08  2.227945838e+04 
1.10  1.784360487e+04 
1.12  1.434519875e+04 
1.14  1.157469348e+04 
1.16  9.371888181e+03 
1.18  7.613731747e+03 
1.20  6.205279987e+03 
1.22  5.072955987e+03 
1.24  4.159500445e+03 
1.26  3.420171082e+03 
1.28  2.819868403e+03 
1.30  2.330951587e+03 
1.32  1.931573686e+03 
1.34  1.604405717e+03 
1.36  1.335654213e+03 
1.38  1.114303236e+03 
1.40  9.315267421e+02 
1.42  7.802306912e+02 
1.44  6.546956791e+02 
1.46  5.502973366e+02 
1.48  4.632860683e+02 
1.50  3.906133782e+02 
1.52  3.297938313e+02 
1.54  2.787957943e+02 
1.56  2.359541208e+02 
1.58  1.999005541e+02 
1.60  1.695084447e+02 
1.62  1.438477786e+02 
1.64  1.221487625e+02 
1.66  1.037730235e+02 
1.68  8.819008889e+01 
1.70  7.495824510e+01 
1.72  6.370904012e+01 
1.74  5.413460532e+01 
1.76  4.597712833e+01 
1.78  3.902019409e+01 
1.80  3.308191411e+01 
1.82  2.800922969e+01 
1.84  2.367301017e+01 
1.86  1.996418759e+01 
1.88  1.679056662e+01 
1.90  1.407412266e+01 
1.92  1.174875806e+01 
1.94  9.758299503e+00 
1.96  8.054836241e+00 
1.98  6.597395453e+00 
2.00  5.351009373e+00 
2.02  4.285834535e+00 
2.04  3.376378456e+00 
2.06  2.600753685e+00 
2.08  1.940198142e+00 
2.10  1.378621929e+00 
2.12  9.022036771e-01 
2.14  4.990660030e-01 
2.16  1.590015995e-01 
2.18 -1.267583023e-01 
2.20 -3.657397651e-01 
2.22 -5.644191499e-01 
2.24 -7.284568768e-01 
2.26 -8.627499772e-01 
2.28 -9.715125081e-01 
2.30 -1.058370523e+00 
2.32 -1.126436698e+00 
2.34 -1.178374299e+00 
2.36 -1.216508473e+00 
2.38 -1.242921882e+00 
2.40 -1.259425501e+00 
2.42 -1.267586155e+00 
2.44 -1.268756252e+00 
2.46 -1.264099154e+00 
2.48 -1.254610788e+00 
2.50 -1.241138044e+00 
2.52 -1.224394396e+00 
2.54 -1.204973143e+00 
2.56 -1.183358684e+00 
2.58 -1.159958786e+00 
2.60 -1.135146051e+00 
2.62 -1.109226142e+00 
2.64 -1.082450780e+00 
2.66 -1.055066060e+00 
2.68 -1.027295782e+00 
2.70 -9.993300833e-01 
2.72 -9.713197049e-01 
2.74 -9.433822897e-01 
2.76 -9.156158349e-01 
2.78 -8.881014638e-01 
2.80 -8.609054205e-01 
2.82 -8.340807429e-01 
2.84 -8.076686544e-01 
2.86 -7.816997159e-01 
2.88 -7.561995292e-01 
2.90 -7.312000425e-01 
2.92 -7.067307985e-01 
2.94 -6.828172671e-01 
2.96 -6.594813808e-01 
2.98 -6.367419626e-01 
3.00 -6.146150580e-01 
3.02 -5.931141841e-01 
3.04 -5.722505060e-01 
3.06 -5.520329491e-01 
3.08 -5.324682564e-01 
3.10 -5.135609956e-01 
3.12 -4.953135248e-01 
3.14 -4.777259198e-01 
3.16 -4.607958145e-01 
3.18 -4.445147166e-01 
3.20 -4.288663005e-01 
3.22 -4.138322171e-01 
3.24 -3.993924094e-01 
3.26 -3.855248279e-01 
3.28 -3.722051300e-01 
3.30 -3.594063666e-01 
3.32 -3.471007517e-01 
3.34 -3.352662253e-01 
3.36 -3.238809328e-01 
3.38 -3.129210206e-01 
3.40 -3.023603740e-01 
3.42 -2.921703481e-01 
3.44 -2.823194939e-01 
3.46 -2.727747855e-01 
3.48 -2.635183934e-01 
3.50 -2.545439591e-01 
3.52 -2.458459827e-01 
3.54 -2.374195641e-01 
3.56 -2.292603315e-01 
3.58 -2.213643684e-01 
3.60 -2.137281392e-01 
3.62 -2.063484130e-01 
3.64 -1.992221859e-01 
3.66 -1.923466031e-01 
3.68 -1.857188790e-01 
3.70 -1.793362179e-01 
3.72 -1.731957326e-01 
3.74 -1.672943638e-01 
3.76 -1.616287981e-01 
3.78 -1.561953867e-01 
3.80 -1.509900625e-01 
3.82 -1.460082583e-01 
3.84 -1.412448242e-01 
3.86 -1.366939449e-01 
3.88 -1.323490571e-01 
3.90 -1.282027671e-01 
3.92 -1.242467677e-01 
3.94 -1.204717562e-01 
3.96 -1.168673512e-01 
3.98 -1.134220107e-01 
4.00 -1.101229495e-01 
4.02 -1.069560569e-01 
4.04 -1.039058144e-01 
4.06 -1.009571099e-01 
4.08 -9.810350906e-02 
4.10 -9.534164276e-02 
4.12 -9.266826882e-02 
4.14 -9.008026610e-02 
4.16 -8.757463007e-02 
4.18 -8.514846842e-02 
4.20 -8.279899687e-02 
4.22 -8.052353514e-02 
4.24 -7.831950301e-02 
4.26 -7.618441648e-02 
4.28 -7.411588418e-02 
4.30 -7.211160379e-02 
4.32 -7.016935866e-02 
4.34 -6.828701448e-02 
4.36 -6.646251616e-02 
4.38 -6.469388478e-02 
4.40 -6.297921460e-02 
4.42 -6.131667032e-02 
4.44 -5.970448427e-02 
4.46 -5.814095388e-02 
4.48 -5.662423008e-02 
4.50 -5.515172645e-02 
4.52 -5.372081867e-02 
4.54 -5.232906016e-02 
4.56 -5.097417583e-02 
4.58 -4.965405597e-02 
4.60 -4.836675007e-02 
4.62 -4.711046087e-02 
4.64 -4.588353827e-02 
4.66 -4.468447347e-02 
4.68 -4.351189300e-02 
4.70 -4.236455291e-02 
4.72 -4.124133294e-02 
4.74 -4.014123077e-02 
4.76 -3.906335630e-02 
4.78 -3.800692592e-02 
4.80 -3.697125695e-02 
4.82 -3.595576193e-02 
4.84 -3.495994315e-02 
4.86 -3.398338703e-02 
4.88 -3.302575864e-02 
4.90 -3.208679625e-02 
4.92 -3.116630587e-02 
4.94 -3.026415581e-02 
4.96 -2.938027133e-02 
4.98 -2.851462929e-02 
5.00 -2.766725275e-02 
5.02 -2.683820574e-02 
5.04 -2.602758795e-02 
5.06 -2.523552942e-02 
5.08 -2.446218538e-02 
5.10 -2.370773099e-02 
5.12 -2.297235614e-02 
5.14 -2.225626026e-02 
5.16 -2.155962537e-02 
5.18 -2.088214282e-02 
5.20 -2.022306241e-02 
5.22 -1.958168947e-02 
5.24 -1.895739961e-02 
5.26 -1.834963114e-02 
5.28 -1.775787750e-02 
5.30 -1.718167967e-02 
5.32 -1.662061863e-02 
5.34 -1.607430771e-02 
5.36 -1.554238508e-02 
5.38 -1.502450614e-02 
5.40 -1.452033593e-02 
5.42 -1.402954160e-02 
5.44 -1.355178476e-02 
5.46 -1.308671398e-02 
5.48 -1.263395714e-02 
5.50 -1.219311391e-02 
5.52 -1.176374813e-02 
5.54 -1.134538024e-02 
5.56 -1.093747974e-02 
5.58 -1.053945755e-02 
5.60 -1.015065848e-02 
5.62 -9.770353619e-03 
5.64 -9.397732787e-03 
5.66 -9.031896934e-03 
5.68 -8.671850567e-03 
5.70 -8.316494177e-03 
5.72 -7.964619431e-03 
5.74 -7.615420015e-03 
5.76 -7.269155735e-03 
5.78 -6.926246120e-03 
5.80 -6.587126931e-03 
5.82 -6.252247279e-03 
5.84 -5.922066733e-03 
5.86 -5.597052433e-03 
5.88 -5.277676201e-03 
5.90 -4.964411653e-03 
5.92 -4.657731312e-03 
5.94 -4.358103718e-03 
5.96 -4.065990539e-03 
5.98 -3.781843686e-03 
6.00 -3.506102421e-03