# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2024--Mendelev-M-I--Ni-Al-Cr
# implementation = 2024--Mendelev-M-I--Ni-Al-Cr--LAMMPS--ipr1
# composition = CrNi2
# 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  4.492124252e+07 
1.00  3.212763710e+07 
1.02  2.296547307e+07 
1.04  1.648335688e+07 
1.06  1.187617999e+07 
1.08  8.587356763e+06 
1.10  6.229948076e+06 
1.12  4.533577053e+06 
1.14  3.308368058e+06 
1.16  2.420356898e+06 
1.18  1.774590600e+06 
1.20  1.303472080e+06 
1.22  9.586940955e+05 
1.24  7.056018007e+05 
1.26  5.192434083e+05 
1.28  3.819392934e+05 
1.30  2.810658067e+05 
1.32  2.068727787e+05 
1.34  1.522501140e+05 
1.36  1.120079616e+05 
1.38  8.234872319e+04 
1.40  6.048648172e+04 
1.42  4.437356869e+04 
1.44  3.250267389e+04 
1.46  2.376293425e+04 
1.48  1.733477329e+04 
1.50  1.261286101e+04 
1.52  9.149840499e+03 
1.54  6.615025102e+03 
1.56  4.763949516e+03 
1.58  3.415903799e+03 
1.60  2.437338380e+03 
1.62  1.729597074e+03 
1.64  1.219867257e+03 
1.66  8.544939434e+02 
1.68  5.940088650e+02 
1.70  4.094393429e+02 
1.72  2.795718635e+02 
1.74  1.889209468e+02 
1.76  1.262322287e+02 
1.78  8.332339523e+01 
1.80  5.428376181e+01 
1.82  3.484626775e+01 
1.84  2.197273932e+01 
1.86  1.354182655e+01 
1.88  8.071625176e+00 
1.90  4.537652571e+00 
1.92  2.239969232e+00 
1.94  7.099185047e-01 
1.96 -3.537494769e-01 
1.98 -1.136700078e+00 
2.00 -1.748385612e+00 
2.02 -2.250445042e+00 
2.04 -2.675601990e+00 
2.06 -3.039447309e+00 
2.08 -3.348143800e+00 
2.10 -3.602823867e+00 
2.12 -3.806913261e+00 
2.14 -3.970536274e+00 
2.16 -4.103563335e+00 
2.18 -4.213042011e+00 
2.20 -4.303741785e+00 
2.22 -4.378998405e+00 
2.24 -4.441756417e+00 
2.26 -4.494450773e+00 
2.28 -4.538740501e+00 
2.30 -4.575408413e+00 
2.32 -4.604418079e+00 
2.34 -4.625353569e+00 
2.36 -4.637902202e+00 
2.38 -4.642079562e+00 
2.40 -4.638547319e+00 
2.42 -4.628536054e+00 
2.44 -4.613316441e+00 
2.46 -4.594167695e+00 
2.48 -4.572910395e+00 
2.50 -4.552221702e+00 
2.52 -4.535835021e+00 
2.54 -4.527507688e+00 
2.56 -4.528835316e+00 
2.58 -4.539390200e+00 
2.60 -4.557399066e+00 
2.62 -4.580169441e+00 
2.64 -4.604505335e+00 
2.66 -4.627110912e+00 
2.68 -4.644845639e+00 
2.70 -4.654920118e+00 
2.72 -4.655053821e+00 
2.74 -4.643607777e+00 
2.76 -4.619626380e+00 
2.78 -4.582627511e+00 
2.80 -4.532694780e+00 
2.82 -4.470726963e+00 
2.84 -4.398070772e+00 
2.86 -4.315967623e+00 
2.88 -4.225639597e+00 
2.90 -4.128636454e+00 
2.92 -4.026728865e+00 
2.94 -3.921678995e+00 
2.96 -3.815065978e+00 
2.98 -3.708285333e+00 
3.00 -3.602614077e+00 
3.02 -3.499133531e+00 
3.04 -3.398559003e+00 
3.06 -3.301258712e+00 
3.08 -3.207354728e+00 
3.10 -3.116831022e+00 
3.12 -3.029645697e+00 
3.14 -2.945845702e+00 
3.16 -2.865633307e+00 
3.18 -2.789231859e+00 
3.20 -2.716811585e+00 
3.22 -2.648499340e+00 
3.24 -2.584370149e+00 
3.26 -2.524437767e+00 
3.28 -2.468647983e+00 
3.30 -2.416874974e+00 
3.32 -2.368920913e+00 
3.34 -2.324518892e+00 
3.36 -2.283339114e+00 
3.38 -2.244998186e+00 
3.40 -2.209071208e+00 
3.42 -2.175106253e+00 
3.44 -2.142640704e+00 
3.46 -2.111218779e+00 
3.48 -2.080409476e+00 
3.50 -2.049824036e+00 
3.52 -2.019131894e+00 
3.54 -1.988073984e+00 
3.56 -1.956472140e+00 
3.58 -1.924233180e+00 
3.60 -1.891346203e+00 
3.62 -1.857871442e+00 
3.64 -1.823918932e+00 
3.66 -1.789615131e+00 
3.68 -1.755055532e+00 
3.70 -1.720261745e+00 
3.72 -1.685225825e+00 
3.74 -1.649948854e+00 
3.76 -1.614441704e+00 
3.78 -1.578724154e+00 
3.80 -1.542823948e+00 
3.82 -1.506775799e+00 
3.84 -1.470620354e+00 
3.86 -1.434403136e+00 
3.88 -1.398173461e+00 
3.90 -1.361983351e+00 
3.92 -1.325886452e+00 
3.94 -1.289936965e+00 
3.96 -1.254188606e+00 
3.98 -1.218693613e+00 
4.00 -1.183501775e+00 
4.02 -1.148659576e+00 
4.04 -1.114209340e+00 
4.06 -1.080188534e+00 
4.08 -1.046629137e+00 
4.10 -1.013557105e+00 
4.12 -9.809919802e-01 
4.14 -9.489466413e-01 
4.16 -9.174271901e-01 
4.18 -8.864343687e-01 
4.20 -8.559727670e-01 
4.22 -8.260549810e-01 
4.24 -7.966986187e-01 
4.26 -7.679233228e-01 
4.28 -7.397483346e-01 
4.30 -7.121906121e-01 
4.32 -6.852634478e-01 
4.34 -6.589747457e-01 
4.36 -6.333270756e-01 
4.38 -6.083168244e-01 
4.40 -5.839335709e-01 
4.42 -5.601621314e-01 
4.44 -5.369798861e-01 
4.46 -5.143614737e-01 
4.48 -4.922759309e-01 
4.50 -4.706894101e-01 
4.52 -4.495706977e-01 
4.54 -4.288799007e-01 
4.56 -4.085875952e-01 
4.58 -3.886699548e-01 
4.60 -3.690890112e-01 
4.62 -3.498357627e-01 
4.64 -3.309155506e-01 
4.66 -3.123130658e-01 
4.68 -2.939076496e-01 
4.70 -2.758700614e-01 
4.72 -2.583905827e-01 
4.74 -2.416370965e-01 
4.76 -2.257643199e-01 
4.78 -2.110440364e-01 
4.80 -1.974005433e-01 
4.82 -1.847376732e-01 
4.84 -1.729728474e-01 
4.86 -1.621437843e-01 
4.88 -1.523246843e-01 
4.90 -1.435606777e-01 
4.92 -1.358673881e-01 
4.94 -1.292602645e-01 
4.96 -1.236472240e-01 
4.98 -1.188998247e-01 
5.00 -1.148966914e-01 
5.02 -1.115167482e-01 
5.04 -1.086414026e-01 
5.06 -1.061562949e-01 
5.08 -1.039527453e-01 
5.10 -1.019164468e-01 
5.12 -9.997162632e-02 
5.14 -9.810582399e-02 
5.16 -9.628849709e-02 
5.18 -9.447735768e-02 
5.20 -9.262610105e-02 
5.22 -9.069039961e-02 
5.24 -8.862966357e-02 
5.26 -8.640803396e-02 
5.28 -8.399627670e-02 
5.30 -8.137306003e-02 
5.32 -7.852563913e-02 
5.34 -7.545005562e-02 
5.36 -7.215094531e-02 
5.38 -6.864103553e-02 
5.40 -6.494040213e-02 
5.42 -6.107554718e-02 
5.44 -5.707834992e-02 
5.46 -5.298493654e-02 
5.48 -4.883450792e-02 
5.50 -4.466815916e-02 
5.52 -4.052771981e-02 
5.54 -3.645463971e-02 
5.56 -3.248894141e-02 
5.58 -2.866825726e-02 
5.60 -2.502696587e-02 
5.62 -2.159544070e-02 
5.64 -1.839942057e-02 
5.66 -1.545951029e-02 
5.68 -1.279081753e-02 
5.70 -1.040273003e-02 
5.72 -8.298836091e-03 
5.74 -6.476989196e-03 
5.76 -4.929516597e-03 
5.78 -3.643569915e-03 
5.80 -2.601614648e-03 
5.82 -1.782054040e-03 
5.84 -1.159981477e-03 
5.86 -7.080542598e-04 
5.88 -3.974803378e-04 
5.90 -1.991082756e-04 
5.92 -8.460948068e-05 
5.94 -2.774042315e-05 
5.96 -5.671314321e-06 
5.98 -3.664315528e-07 
6.00  4.181969332e-14