# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Tramontina-D-R-Deluigi-O-R-Pinzon-R-et-al--Fe-Cu-Ni
# implementation = 2023--Tramontina-D-R--Fe-Cu-Ni--LAMMPS--ipr1
# composition = CuNi2
# 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 2023-06-29

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  3.685156837e+02 
0.90  3.257344163e+02 
0.92  2.895750521e+02 
0.94  2.589605668e+02 
0.96  2.328817528e+02 
0.98  2.104802891e+02 
1.00  1.909904346e+02 
1.02  1.738517919e+02 
1.04  1.587153013e+02 
1.06  1.452062311e+02 
1.08  1.329926008e+02 
1.10  1.218062818e+02 
1.12  1.114427052e+02 
1.14  1.017584842e+02 
1.16  9.268905146e+01 
1.18  8.425288256e+01 
1.20  7.650220002e+01 
1.22  6.945252925e+01 
1.24  6.303866840e+01 
1.26  5.719797767e+01 
1.28  5.187842079e+01 
1.30  4.702766637e+01 
1.32  4.259838343e+01 
1.34  3.855220612e+01 
1.36  3.485083729e+01 
1.38  3.145822132e+01 
1.40  2.834530780e+01 
1.42  2.549070258e+01 
1.44  2.287076451e+01 
1.46  2.046476953e+01 
1.48  1.825323918e+01 
1.50  1.622122524e+01 
1.52  1.435414210e+01 
1.54  1.263838810e+01 
1.56  1.106096614e+01 
1.58  9.610544518e+00 
1.60  8.276962771e+00 
1.62  7.050051785e+00 
1.64  5.921681086e+00 
1.66  4.892710943e+00 
1.68  3.967824740e+00 
1.70  3.151001882e+00 
1.72  2.439880403e+00 
1.74  1.822968203e+00 
1.76  1.288107837e+00 
1.78  8.235683006e-01 
1.80  4.182169308e-01 
1.82  6.147244221e-02 
1.84 -2.567902660e-01 
1.86 -5.463180628e-01 
1.88 -8.144652798e-01 
1.90 -1.069699258e+00 
1.92 -1.319114293e+00 
1.94 -1.560370737e+00 
1.96 -1.788332106e+00 
1.98 -2.000737269e+00 
2.00 -2.198163499e+00 
2.02 -2.380750317e+00 
2.04 -2.548536732e+00 
2.06 -2.701712565e+00 
2.08 -2.841364871e+00 
2.10 -2.967697693e+00 
2.12 -3.081053291e+00 
2.14 -3.181922986e+00 
2.16 -3.270790370e+00 
2.18 -3.348113576e+00 
2.20 -3.414306829e+00 
2.22 -3.469709242e+00 
2.24 -3.514627155e+00 
2.26 -3.549348281e+00 
2.28 -3.574129852e+00 
2.30 -3.589202662e+00 
2.32 -3.594978327e+00 
2.34 -3.592447463e+00 
2.36 -3.582053104e+00 
2.38 -3.564645898e+00 
2.40 -3.542404170e+00 
2.42 -3.515432172e+00 
2.44 -3.483975338e+00 
2.46 -3.448471744e+00 
2.48 -3.409352781e+00 
2.50 -3.367044264e+00 
2.52 -3.321973342e+00 
2.54 -3.274546306e+00 
2.56 -3.225130729e+00 
2.58 -3.174020959e+00 
2.60 -3.121500813e+00 
2.62 -3.067866805e+00 
2.64 -3.013425805e+00 
2.66 -2.958424925e+00 
2.68 -2.902955710e+00 
2.70 -2.847082141e+00 
2.72 -2.790863394e+00 
2.74 -2.734410576e+00 
2.76 -2.677862138e+00 
2.78 -2.621349854e+00 
2.80 -2.565002755e+00 
2.82 -2.508951365e+00 
2.84 -2.453329292e+00 
2.86 -2.398274687e+00 
2.88 -2.343930867e+00 
2.90 -2.290439577e+00 
2.92 -2.237949371e+00 
2.94 -2.186847433e+00 
2.96 -2.136561126e+00 
2.98 -2.086908422e+00 
3.00 -2.037910855e+00 
3.02 -1.989584943e+00 
3.04 -1.941944791e+00 
3.06 -1.895000823e+00 
3.08 -1.848758348e+00 
3.10 -1.803215601e+00 
3.12 -1.758362407e+00 
3.14 -1.714179988e+00 
3.16 -1.670642952e+00 
3.18 -1.627723178e+00 
3.20 -1.585394605e+00 
3.22 -1.543637602e+00 
3.24 -1.502441498e+00 
3.26 -1.461804895e+00 
3.28 -1.421734203e+00 
3.30 -1.382237230e+00 
3.32 -1.343318843e+00 
3.34 -1.304984354e+00 
3.36 -1.267238064e+00 
3.38 -1.230082289e+00 
3.40 -1.193516694e+00 
3.42 -1.157540464e+00 
3.44 -1.122153395e+00 
3.46 -1.087355760e+00 
3.48 -1.053147980e+00 
3.50 -1.019530982e+00 
3.52 -9.865058618e-01 
3.54 -9.540737849e-01 
3.56 -9.222359085e-01 
3.58 -8.909937313e-01 
3.60 -8.603485914e-01 
3.62 -8.303027475e-01 
3.64 -8.008599477e-01 
3.66 -7.720239416e-01 
3.68 -7.437980897e-01 
3.70 -7.161856841e-01 
3.72 -6.891897739e-01 
3.74 -6.628133523e-01 
3.76 -6.370595104e-01 
3.78 -6.119311630e-01 
3.80 -5.874305883e-01 
3.82 -5.635607932e-01 
3.84 -5.403251332e-01 
3.86 -5.177260639e-01 
3.88 -4.957688379e-01 
3.90 -4.744554928e-01 
3.92 -4.537929257e-01 
3.94 -4.337855026e-01 
3.96 -4.144411744e-01 
3.98 -3.957654953e-01 
4.00 -3.777755511e-01 
4.02 -3.604668992e-01 
4.04 -3.438761342e-01 
4.06 -3.279999407e-01 
4.08 -3.128522979e-01 
4.10 -2.984820126e-01 
4.12 -2.848966009e-01 
4.14 -2.720989142e-01 
4.16 -2.600407482e-01 
4.18 -2.483947746e-01 
4.20 -2.371256346e-01 
4.22 -2.261984994e-01 
4.24 -2.155808668e-01 
4.26 -2.052641964e-01 
4.28 -1.952692084e-01 
4.30 -1.856144930e-01 
4.32 -1.763065977e-01 
4.34 -1.673263578e-01 
4.36 -1.586537572e-01 
4.38 -1.502733720e-01 
4.40 -1.421826517e-01 
4.42 -1.343870482e-01 
4.44 -1.268905769e-01 
4.46 -1.196966038e-01 
4.48 -1.128070918e-01 
4.50 -1.062221530e-01 
4.52 -9.994366158e-02 
4.54 -9.397346531e-02 
4.56 -8.831333918e-02 
4.58 -8.296420373e-02 
4.60 -7.792628791e-02 
4.62 -7.319997889e-02 
4.64 -6.878613354e-02 
4.66 -6.468550526e-02 
4.68 -6.089869831e-02 
4.70 -5.742941183e-02 
4.72 -5.428085588e-02 
4.74 -5.145575899e-02 
4.76 -4.895711770e-02 
4.78 -4.678864153e-02 
4.80 -4.491940073e-02 
4.82 -4.316630210e-02 
4.84 -4.150122634e-02 
4.86 -3.992291002e-02 
4.88 -3.843005868e-02 
4.90 -3.701973634e-02 
4.92 -3.568631557e-02 
4.94 -3.442353928e-02 
4.96 -3.323228346e-02 
4.98 -3.211399954e-02 
5.00 -3.107059304e-02 
5.02 -3.010417417e-02 
5.04 -2.921704322e-02 
5.06 -2.841126667e-02 
5.08 -2.768837862e-02 
5.10 -2.704898365e-02 
5.12 -2.649221103e-02 
5.14 -2.601563236e-02 
5.16 -2.561470812e-02 
5.18 -2.528292501e-02 
5.20 -2.501261303e-02 
5.22 -2.479783089e-02 
5.24 -2.463246592e-02 
5.26 -2.450975930e-02 
5.28 -2.442247198e-02 
5.30 -2.436361003e-02 
5.32 -2.432660777e-02 
5.34 -2.430549080e-02 
5.36 -2.429541214e-02 
5.38 -2.429224882e-02 
5.40 -2.429287240e-02 
5.42 -2.429506801e-02 
5.44 -2.429737142e-02 
5.46 -2.429898649e-02 
5.48 -2.429971481e-02 
5.50 -2.429981133e-02 
5.52 -2.429981133e-02 
5.54 -2.429981133e-02 
5.56 -2.429981133e-02 
5.58 -2.429981133e-02 
5.60 -2.429981133e-02 
5.62 -2.429981133e-02 
5.64 -2.429981133e-02 
5.66 -2.429981133e-02 
5.68 -2.429981133e-02 
5.70 -2.429981133e-02 
5.72 -2.429981133e-02 
5.74 -2.429981133e-02 
5.76 -2.429981133e-02 
5.78 -2.429981133e-02 
5.80 -2.429981133e-02 
5.82 -2.429981133e-02 
5.84 -2.429981133e-02 
5.86 -2.429981133e-02 
5.88 -2.429981133e-02 
5.90 -2.429981133e-02 
5.92 -2.429981133e-02 
5.94 -2.429981133e-02 
5.96 -2.429981133e-02 
5.98 -2.429981133e-02 
6.00 -2.429981133e-02