# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2019--Mendelev-M-I--Fe-Ni-Cr
# implementation = 2019--Mendelev-M-I--Fe-Ni-Cr--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 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  1.084262547e+04 
0.94  9.962270816e+03 
0.96  9.155558184e+03 
0.98  8.415013667e+03 
1.00  7.734068541e+03 
1.02  7.106802201e+03 
1.04  6.527965076e+03 
1.06  5.993208086e+03 
1.08  5.498690461e+03 
1.10  5.040622435e+03 
1.12  4.615621627e+03 
1.14  4.220688527e+03 
1.16  3.853226600e+03 
1.18  3.510923534e+03 
1.20  3.191708137e+03 
1.22  2.893727574e+03 
1.24  2.615297040e+03 
1.26  2.354860104e+03 
1.28  2.110968470e+03 
1.30  1.882318342e+03 
1.32  1.667747212e+03 
1.34  1.466211640e+03 
1.36  1.276765818e+03 
1.38  1.098534398e+03 
1.40  9.307240382e+02 
1.42  7.725906098e+02 
1.44  6.234585328e+02 
1.46  4.889001083e+02 
1.48  3.827121745e+02 
1.50  2.996603578e+02 
1.52  2.347082982e+02 
1.54  1.839176321e+02 
1.56  1.442035020e+02 
1.58  1.131473498e+02 
1.60  8.888835698e+01 
1.62  6.996345886e+01 
1.64  5.519067221e+01 
1.66  4.365044541e+01 
1.68  3.462589261e+01 
1.70  2.755261983e+01 
1.72  2.198190218e+01 
1.74  1.756720557e+01 
1.76  1.404811657e+01 
1.78  1.122758607e+01 
1.80  8.955349321e+00 
1.82  7.115064929e+00 
1.84  5.614415968e+00 
1.86  4.377427936e+00 
1.88  3.338516725e+00 
1.90  2.445567329e+00 
1.92  1.659236709e+00 
1.94  9.485015742e-01 
1.96  3.002211619e-01 
1.98 -2.915933588e-01 
2.00 -8.296205564e-01 
2.02 -1.294378040e+00 
2.04 -1.677213826e+00 
2.06 -1.993977004e+00 
2.08 -2.258986944e+00 
2.10 -2.485373325e+00 
2.12 -2.680872687e+00 
2.14 -2.850864724e+00 
2.16 -3.008282854e+00 
2.18 -3.161297289e+00 
2.20 -3.306065150e+00 
2.22 -3.436665637e+00 
2.24 -3.549013395e+00 
2.26 -3.640745119e+00 
2.28 -3.712097165e+00 
2.30 -3.766862447e+00 
2.32 -3.811405793e+00 
2.34 -3.850912641e+00 
2.36 -3.885933851e+00 
2.38 -3.913994975e+00 
2.40 -3.932117532e+00 
2.42 -3.939562615e+00 
2.44 -3.936836279e+00 
2.46 -3.924460478e+00 
2.48 -3.903238350e+00 
2.50 -3.874264340e+00 
2.52 -3.839260898e+00 
2.54 -3.800279698e+00 
2.56 -3.758607974e+00 
2.58 -3.714744078e+00 
2.60 -3.668725410e+00 
2.62 -3.620348405e+00 
2.64 -3.569342150e+00 
2.66 -3.515546292e+00 
2.68 -3.459043619e+00 
2.70 -3.400159474e+00 
2.72 -3.339402145e+00 
2.74 -3.277387833e+00 
2.76 -3.214757212e+00 
2.78 -3.152086624e+00 
2.80 -3.089792000e+00 
2.82 -3.028052211e+00 
2.84 -2.966868096e+00 
2.86 -2.906193881e+00 
2.88 -2.846014800e+00 
2.90 -2.786445283e+00 
2.92 -2.727855609e+00 
2.94 -2.671023816e+00 
2.96 -2.617224446e+00 
2.98 -2.567581747e+00 
3.00 -2.522503194e+00 
3.02 -2.481801672e+00 
3.04 -2.444897007e+00 
3.06 -2.411033490e+00 
3.08 -2.379424849e+00 
3.10 -2.349354147e+00 
3.12 -2.320231080e+00 
3.14 -2.291603295e+00 
3.16 -2.263129484e+00 
3.18 -2.234574441e+00 
3.20 -2.205815388e+00 
3.22 -2.176832630e+00 
3.24 -2.147693684e+00 
3.26 -2.118533424e+00 
3.28 -2.089532136e+00 
3.30 -2.060893150e+00 
3.32 -2.032821455e+00 
3.34 -2.005504507e+00 
3.36 -1.979096178e+00 
3.38 -1.953704562e+00 
3.40 -1.929384135e+00 
3.42 -1.906132510e+00 
3.44 -1.883891810e+00 
3.46 -1.862554442e+00 
3.48 -1.841972810e+00 
3.50 -1.821972299e+00 
3.52 -1.802366578e+00 
3.54 -1.782974099e+00 
3.56 -1.763634378e+00 
3.58 -1.744222431e+00 
3.60 -1.724659526e+00 
3.62 -1.704918127e+00 
3.64 -1.685018717e+00 
3.66 -1.665015941e+00 
3.68 -1.644971261e+00 
3.70 -1.624919359e+00 
3.72 -1.604874491e+00 
3.74 -1.584844400e+00 
3.76 -1.564829948e+00 
3.78 -1.544824232e+00 
3.80 -1.524811862e+00 
3.82 -1.504768474e+00 
3.84 -1.484660501e+00 
3.86 -1.464445266e+00 
3.88 -1.444071441e+00 
3.90 -1.423479920e+00 
3.92 -1.402605177e+00 
3.94 -1.381377152e+00 
3.96 -1.359723733e+00 
3.98 -1.337573896e+00 
4.00 -1.314861568e+00 
4.02 -1.291530291e+00 
4.04 -1.267538730e+00 
4.06 -1.242867142e+00 
4.08 -1.217524836e+00 
4.10 -1.191558734e+00 
4.12 -1.165063108e+00 
4.14 -1.138190558e+00 
4.16 -1.111164342e+00 
4.18 -1.084275930e+00 
4.20 -1.057785675e+00 
4.22 -1.031860912e+00 
4.24 -1.006591718e+00 
4.26 -9.820086858e-01 
4.28 -9.580981504e-01 
4.30 -9.348150989e-01 
4.32 -9.120939559e-01 
4.34 -8.898574689e-01 
4.36 -8.680238402e-01 
4.38 -8.465123636e-01 
4.40 -8.252476454e-01 
4.42 -8.041626893e-01 
4.44 -7.832009202e-01 
4.46 -7.623173290e-01 
4.48 -7.414789095e-01 
4.50 -7.206645016e-01 
4.52 -6.998641729e-01 
4.54 -6.790782719e-01 
4.56 -6.583162728e-01 
4.58 -6.375955156e-01 
4.60 -6.169399461e-01 
4.62 -5.963788735e-01 
4.64 -5.759459869e-01 
4.66 -5.556787938e-01 
4.68 -5.356179928e-01 
4.70 -5.158072175e-01 
4.72 -4.962944558e-01 
4.74 -4.771312816e-01 
4.76 -4.583764422e-01 
4.78 -4.400953615e-01 
4.80 -4.223660920e-01 
4.82 -4.052749699e-01 
4.84 -3.888991785e-01 
4.86 -3.732725601e-01 
4.88 -3.584014083e-01 
4.90 -3.442676881e-01 
4.92 -3.308173110e-01 
4.94 -3.179999897e-01 
4.96 -3.057593863e-01 
4.98 -2.939415242e-01 
5.00 -2.824517149e-01 
5.02 -2.713716928e-01 
5.04 -2.607375921e-01 
5.06 -2.505669984e-01 
5.08 -2.409293107e-01 
5.10 -2.315148430e-01 
5.12 -2.220162019e-01 
5.14 -2.121748631e-01 
5.16 -2.019504663e-01 
5.18 -1.914255585e-01 
5.20 -1.806915824e-01 
5.22 -1.698621729e-01 
5.24 -1.589379921e-01 
5.26 -1.479056582e-01 
5.28 -1.367991748e-01 
5.30 -1.256827559e-01 
5.32 -1.146377443e-01 
5.34 -1.037372189e-01 
5.36 -9.313942036e-02 
5.38 -8.301797012e-02 
5.40 -7.348424377e-02 
5.42 -6.460390995e-02 
5.44 -5.640961697e-02 
5.46 -4.891050184e-02 
5.48 -4.209922068e-02 
5.50 -3.595706857e-02 
5.52 -3.045764711e-02 
5.54 -2.556944644e-02 
5.56 -2.125763209e-02 
5.58 -1.748526419e-02 
5.60 -1.421412477e-02 
5.62 -1.140528689e-02 
5.64 -9.019524884e-03 
5.66 -7.017637655e-03 
5.68 -5.360734957e-03 
5.70 -4.010519126e-03 
5.72 -2.929581063e-03 
5.74 -2.081718583e-03 
5.76 -1.432276975e-03 
5.78 -9.485052293e-04 
5.80 -5.999165614e-04 
5.82 -3.586380655e-04 
5.84 -1.997315170e-04 
5.86 -1.014650703e-04 
5.88 -4.551383720e-05 
5.90 -1.706585930e-05 
5.92 -4.808734684e-06 
5.94 -7.710322830e-07 
5.96  8.429980022e-09 
5.98  1.139052078e-08 
6.00  8.719186467e-15