# 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 = FeNi2
# 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  6.937549288e+02 
0.90  6.256874986e+02 
0.92  5.657121288e+02 
0.94  5.125490892e+02 
0.96  4.650944137e+02 
0.98  4.226431138e+02 
1.00  3.846007399e+02 
1.02  3.504441894e+02 
1.04  3.197720962e+02 
1.06  2.922492779e+02 
1.08  2.675174480e+02 
1.10  2.452063324e+02 
1.12  2.249845102e+02 
1.14  2.065722220e+02 
1.16  1.897059137e+02 
1.18  1.742516963e+02 
1.20  1.601818139e+02 
1.22  1.474534326e+02 
1.24  1.359647758e+02 
1.26  1.255530598e+02 
1.28  1.158413373e+02 
1.30  1.066521068e+02 
1.32  9.797152893e+01 
1.34  8.974230046e+01 
1.36  8.195326499e+01 
1.38  7.471165635e+01 
1.40  6.809664627e+01 
1.42  6.187381471e+01 
1.44  5.596119491e+01 
1.46  5.038574030e+01 
1.48  4.517696283e+01 
1.50  4.036553337e+01 
1.52  3.597188039e+01 
1.54  3.197840920e+01 
1.56  2.835408006e+01 
1.58  2.507165528e+01 
1.60  2.210652950e+01 
1.62  1.943292929e+01 
1.64  1.702715973e+01 
1.66  1.487419574e+01 
1.68  1.296230297e+01 
1.70  1.127807985e+01 
1.72  9.800857310e+00 
1.74  8.500357521e+00 
1.76  7.345630460e+00 
1.78  6.305987867e+00 
1.80  5.351022422e+00 
1.82  4.455415076e+00 
1.84  3.611570080e+00 
1.86  2.817643354e+00 
1.88  2.074888939e+00 
1.90  1.383712207e+00 
1.92  7.439012934e-01 
1.94  1.555209351e-01 
1.96 -3.810751000e-01 
1.98 -8.653429746e-01 
2.00 -1.296625134e+00 
2.02 -1.675531349e+00 
2.04 -2.006100113e+00 
2.06 -2.292326774e+00 
2.08 -2.537928631e+00 
2.10 -2.746174044e+00 
2.12 -2.921129345e+00 
2.14 -3.067627517e+00 
2.16 -3.190610555e+00 
2.18 -3.295826484e+00 
2.20 -3.388963593e+00 
2.22 -3.474173129e+00 
2.24 -3.551371415e+00 
2.26 -3.619453172e+00 
2.28 -3.677374929e+00 
2.30 -3.724377411e+00 
2.32 -3.759867714e+00 
2.34 -3.783266101e+00 
2.36 -3.794037769e+00 
2.38 -3.792647137e+00 
2.40 -3.780521639e+00 
2.42 -3.758634311e+00 
2.44 -3.728151287e+00 
2.46 -3.690365434e+00 
2.48 -3.646502574e+00 
2.50 -3.598462920e+00 
2.52 -3.548961492e+00 
2.54 -3.498220326e+00 
2.56 -3.446174544e+00 
2.58 -3.392756663e+00 
2.60 -3.337861564e+00 
2.62 -3.281341887e+00 
2.64 -3.223194617e+00 
2.66 -3.163588378e+00 
2.68 -3.102700222e+00 
2.70 -3.040705977e+00 
2.72 -2.977780222e+00 
2.74 -2.914096513e+00 
2.76 -2.849827687e+00 
2.78 -2.785146197e+00 
2.80 -2.720224360e+00 
2.82 -2.655235243e+00 
2.84 -2.590353078e+00 
2.86 -2.525753998e+00 
2.88 -2.461616865e+00 
2.90 -2.398117580e+00 
2.92 -2.335435186e+00 
2.94 -2.273687153e+00 
2.96 -2.212228668e+00 
2.98 -2.150900310e+00 
3.00 -2.089746109e+00 
3.02 -2.028944486e+00 
3.04 -1.968975542e+00 
3.06 -1.909910741e+00 
3.08 -1.851790170e+00 
3.10 -1.794652162e+00 
3.12 -1.738533235e+00 
3.14 -1.683468295e+00 
3.16 -1.629490629e+00 
3.18 -1.576632020e+00 
3.20 -1.524922745e+00 
3.22 -1.474391612e+00 
3.24 -1.425065877e+00 
3.26 -1.376971595e+00 
3.28 -1.330135263e+00 
3.30 -1.284583173e+00 
3.32 -1.240340436e+00 
3.34 -1.197431019e+00 
3.36 -1.155877875e+00 
3.38 -1.115702870e+00 
3.40 -1.076926829e+00 
3.42 -1.039569400e+00 
3.44 -1.003649405e+00 
3.46 -9.691846292e-01 
3.48 -9.361918183e-01 
3.50 -9.046867010e-01 
3.52 -8.746713000e-01 
3.54 -8.460967892e-01 
3.56 -8.189004040e-01 
3.58 -7.930179963e-01 
3.60 -7.683853826e-01 
3.62 -7.449366660e-01 
3.64 -7.226045052e-01 
3.66 -7.013218569e-01 
3.68 -6.810200826e-01 
3.70 -6.616297006e-01 
3.72 -6.430806291e-01 
3.74 -6.253017524e-01 
3.76 -6.082196836e-01 
3.78 -5.917598635e-01 
3.80 -5.758605814e-01 
3.82 -5.604513533e-01 
3.84 -5.454161395e-01 
3.86 -5.308298029e-01 
3.88 -5.163456216e-01 
3.90 -5.021211737e-01 
3.92 -4.877857844e-01 
3.94 -4.734362926e-01 
3.96 -4.591694722e-01 
3.98 -4.450577505e-01 
4.00 -4.311443522e-01 
4.02 -4.174656825e-01 
4.04 -4.040957587e-01 
4.06 -3.910780851e-01 
4.08 -3.785344232e-01 
4.10 -3.665343828e-01 
4.12 -3.551007260e-01 
4.14 -3.442402585e-01 
4.16 -3.338135935e-01 
4.18 -3.232502609e-01 
4.20 -3.124815293e-01 
4.22 -3.015026563e-01 
4.24 -2.903412028e-01 
4.26 -2.790326293e-01 
4.28 -2.676122936e-01 
4.30 -2.561153916e-01 
4.32 -2.445769079e-01 
4.34 -2.330316535e-01 
4.36 -2.215142147e-01 
4.38 -2.100592099e-01 
4.40 -1.987009273e-01 
4.42 -1.874734281e-01 
4.44 -1.764102860e-01 
4.46 -1.655453948e-01 
4.48 -1.549131901e-01 
4.50 -1.445439909e-01 
4.52 -1.344647139e-01 
4.54 -1.246629963e-01 
4.56 -1.149937211e-01 
4.58 -1.056048306e-01 
4.60 -9.728509994e-02 
4.62 -8.959829757e-02 
4.64 -8.036651074e-02 
4.66 -6.864687692e-02 
4.68 -5.547316166e-02 
4.70 -4.314141760e-02 
4.72 -3.292809457e-02 
4.74 -2.532271478e-02 
4.76 -2.037055079e-02 
4.78 -1.795145558e-02 
4.80 -1.764515744e-02 
4.82 -1.770084884e-02 
4.84 -1.785569382e-02 
4.86 -1.809505495e-02 
4.88 -1.840429444e-02 
4.90 -1.876877541e-02 
4.92 -1.917386076e-02 
4.94 -1.960491303e-02 
4.96 -2.004729454e-02 
4.98 -2.048636885e-02 
5.00 -2.090749775e-02 
5.02 -2.129870155e-02 
5.04 -2.165862668e-02 
5.06 -2.198857557e-02 
5.08 -2.228985249e-02 
5.10 -2.256376023e-02 
5.12 -2.281160228e-02 
5.14 -2.303468197e-02 
5.16 -2.323430203e-02 
5.18 -2.341176629e-02 
5.20 -2.356837843e-02 
5.22 -2.370544093e-02 
5.24 -2.382425738e-02 
5.26 -2.392613108e-02 
5.28 -2.401236525e-02 
5.30 -2.408426337e-02 
5.32 -2.414312863e-02 
5.34 -2.419026413e-02 
5.36 -2.422697317e-02 
5.38 -2.425455957e-02 
5.40 -2.427432617e-02 
5.42 -2.428757631e-02 
5.44 -2.429561310e-02 
5.46 -2.429974027e-02 
5.48 -2.430126065e-02 
5.50 -2.430147800e-02 
5.52 -2.430147800e-02 
5.54 -2.430147800e-02 
5.56 -2.430147800e-02 
5.58 -2.430147800e-02 
5.60 -2.430147800e-02 
5.62 -2.430147800e-02 
5.64 -2.430147800e-02 
5.66 -2.430147800e-02 
5.68 -2.430147800e-02 
5.70 -2.430147800e-02 
5.72 -2.430147800e-02 
5.74 -2.430147800e-02 
5.76 -2.430147800e-02 
5.78 -2.430147800e-02 
5.80 -2.430147800e-02 
5.82 -2.430147800e-02 
5.84 -2.430147800e-02 
5.86 -2.430147800e-02 
5.88 -2.430147800e-02 
5.90 -2.430147800e-02 
5.92 -2.430147800e-02 
5.94 -2.430147800e-02 
5.96 -2.430147800e-02 
5.98 -2.430147800e-02 
6.00 -2.430147800e-02