# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Kim-K-H-Jeon-J-B-Lee-B-J--Mg-Y
# implementation = 2015--Kim-K-H--Mg-Y--LAMMPS--ipr1
# composition = MgY2
# 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  nan             
1.02  nan             
1.04  1.085671064e+02 
1.06  1.042658267e+02 
1.08  1.001099416e+02 
1.10  9.609509899e+01 
1.12  9.221705959e+01 
1.14  8.847169403e+01 
1.16  8.485498098e+01 
1.18  8.136300501e+01 
1.20  7.799195439e+01 
1.22  7.473811900e+01 
1.24  7.159788823e+01 
1.26  6.856774884e+01 
1.28  6.564428292e+01 
1.30  6.282416579e+01 
1.32  6.010416400e+01 
1.34  5.748113325e+01 
1.36  5.495201643e+01 
1.38  5.251384162e+01 
1.40  5.016372015e+01 
1.42  4.789884466e+01 
1.44  4.571648720e+01 
1.46  4.361399736e+01 
1.48  4.158880040e+01 
1.50  3.963839546e+01 
1.52  3.776035373e+01 
1.54  3.595231674e+01 
1.56  3.421199457e+01 
1.58  3.253716416e+01 
1.60  3.092566767e+01 
1.62  2.937541078e+01 
1.64  2.788436114e+01 
1.66  2.645054670e+01 
1.68  2.507205424e+01 
1.70  2.374702779e+01 
1.72  2.247366717e+01 
1.74  2.125022648e+01 
1.76  2.007501272e+01 
1.78  1.894638435e+01 
1.80  1.786274991e+01 
1.82  1.682256670e+01 
1.84  1.582433943e+01 
1.86  1.486661896e+01 
1.88  1.394800102e+01 
1.90  1.306712499e+01 
1.92  1.222267268e+01 
1.94  1.141336716e+01 
1.96  1.063797162e+01 
1.98  9.895288218e+00 
2.00  9.184157025e+00 
2.02  8.503454913e+00 
2.04  7.852094530e+00 
2.06  7.229023273e+00 
2.08  6.633222299e+00 
2.10  6.063705542e+00 
2.12  5.519518777e+00 
2.14  4.999738690e+00 
2.16  4.503471977e+00 
2.18  4.029854470e+00 
2.20  3.578050276e+00 
2.22  3.147250945e+00 
2.24  2.736674662e+00 
2.26  2.345565448e+00 
2.28  1.973192396e+00 
2.30  1.618848914e+00 
2.32  1.281852002e+00 
2.34  9.615415317e-01 
2.36  6.572795631e-01 
2.38  3.684496637e-01 
2.40  9.445625672e-02 
2.42 -1.652760189e-01 
2.44 -4.113029272e-01 
2.46 -6.441612403e-01 
2.48 -8.643693240e-01 
2.50 -1.072427710e+00 
2.52 -1.268819648e+00 
2.54 -1.454011649e+00 
2.56 -1.628454006e+00 
2.58 -1.792581305e+00 
2.60 -1.946812921e+00 
2.62 -2.091553495e+00 
2.64 -2.227193407e+00 
2.66 -2.354109227e+00 
2.68 -2.472664153e+00 
2.70 -2.583208445e+00 
2.72 -2.686079838e+00 
2.74 -2.781603942e+00 
2.76 -2.870094640e+00 
2.78 -2.951854465e+00 
2.80 -3.027174970e+00 
2.82 -3.096337084e+00 
2.84 -3.159611465e+00 
2.86 -3.217258830e+00 
2.88 -3.269530289e+00 
2.90 -3.316667660e+00 
2.92 -3.358903773e+00 
2.94 -3.396462776e+00 
2.96 -3.429576455e+00 
2.98 -3.459603050e+00 
3.00 -3.488067984e+00 
3.02 -3.508927861e+00 
3.04 -3.526111457e+00 
3.06 -3.539796568e+00 
3.08 -3.550154157e+00 
3.10 -3.557348589e+00 
3.12 -3.561537850e+00 
3.14 -3.562873776e+00 
3.16 -3.561502254e+00 
3.18 -3.557563434e+00 
3.20 -3.551191926e+00 
3.22 -3.542516989e+00 
3.24 -3.531662723e+00 
3.26 -3.518748245e+00 
3.28 -3.503887864e+00 
3.30 -3.487191254e+00 
3.32 -3.468763611e+00 
3.34 -3.448705820e+00 
3.36 -3.427114599e+00 
3.38 -3.404082656e+00 
3.40 -3.379698826e+00 
3.42 -3.354048215e+00 
3.44 -3.327212331e+00 
3.46 -3.299269217e+00 
3.48 -3.270293573e+00 
3.50 -3.240356883e+00 
3.52 -3.209527529e+00 
3.54 -3.177870904e+00 
3.56 -3.145449527e+00 
3.58 -3.112323144e+00 
3.60 -3.078548836e+00 
3.62 -3.044182457e+00 
3.64 -3.009561586e+00 
3.66 -2.976091753e+00 
3.68 -2.941864010e+00 
3.70 -2.905593675e+00 
3.72 -2.868965886e+00 
3.74 -2.832021701e+00 
3.76 -2.794800220e+00 
3.78 -2.757338662e+00 
3.80 -2.719672436e+00 
3.82 -2.681835212e+00 
3.84 -2.643858992e+00 
3.86 -2.605774170e+00 
3.88 -2.567609604e+00 
3.90 -2.529392669e+00 
3.92 -2.491149321e+00 
3.94 -2.452904153e+00 
3.96 -2.414680453e+00 
3.98 -2.376500250e+00 
4.00 -2.338384375e+00 
4.02 -2.300352503e+00 
4.04 -2.262423205e+00 
4.06 -2.224613993e+00 
4.08 -2.186941365e+00 
4.10 -2.149420849e+00 
4.12 -2.112067043e+00 
4.14 -2.074893655e+00 
4.16 -2.037913544e+00 
4.18 -2.001138753e+00 
4.20 -1.964580552e+00 
4.22 -1.928249465e+00 
4.24 -1.892155308e+00 
4.26 -1.856307221e+00 
4.28 -1.820713697e+00 
4.30 -1.785382615e+00 
4.32 -1.750321266e+00 
4.34 -1.715536383e+00 
4.36 -1.681034167e+00 
4.38 -1.646820312e+00 
4.40 -1.612900033e+00 
4.42 -1.579278085e+00 
4.44 -1.545958791e+00 
4.46 -1.512946063e+00 
4.48 -1.480243421e+00 
4.50 -1.447854018e+00 
4.52 -1.415780654e+00 
4.54 -1.384025802e+00 
4.56 -1.352591623e+00 
4.58 -1.321479980e+00 
4.60 -1.290692465e+00 
4.62 -1.260230404e+00 
4.64 -1.230094881e+00 
4.66 -1.200286750e+00 
4.68 -1.170806651e+00 
4.70 -1.141655022e+00 
4.72 -1.112832112e+00 
4.74 -1.084337999e+00 
4.76 -1.056172598e+00 
4.78 -1.028335671e+00 
4.80 -1.000826846e+00 
4.82 -9.736456190e-01 
4.84 -9.467913719e-01 
4.86 -9.202633780e-01 
4.88 -8.940608133e-01 
4.90 -8.681827656e-01 
4.92 -8.426282429e-01 
4.94 -8.173961820e-01 
4.96 -7.924854564e-01 
4.98 -7.678948838e-01 
5.00 -7.436232334e-01 
5.02 -7.196692327e-01 
5.04 -6.960315737e-01 
5.06 -6.727089192e-01 
5.08 -6.496999087e-01 
5.10 -6.270031634e-01 
5.12 -6.044013863e-01 
5.14 -5.668084796e-01 
5.16 -4.339609792e-01 
5.18 -1.277360634e-01 
5.20 -1.052223192e-01 
5.22 -9.874450959e-02 
5.24 -9.242568802e-02 
5.26 -8.626276236e-02 
5.28 -8.025271602e-02 
5.30 -7.439260412e-02 
5.32 -6.867954972e-02 
5.34 -6.311074028e-02 
5.36 -5.768342430e-02 
5.38 -5.239490802e-02 
5.40 -4.724255245e-02 
5.42 -4.222377051e-02 
5.44 -3.733602437e-02 
5.46 -3.257682297e-02 
5.48 -2.794371979e-02 
5.50 -2.343431071e-02 
5.52 -1.904623217e-02 
5.54 -1.477715935e-02 
5.56 -1.062480468e-02 
5.58 -6.586916376e-03 
5.60 -2.661277193e-03 
5.62  1.154296709e-03 
5.64  4.861956765e-03 
5.66  8.463822895e-03 
5.68  1.196198428e-02 
5.70  1.535850005e-02 
5.72  1.865539989e-02 
5.74  2.185468451e-02 
5.76  2.495832619e-02 
5.78  2.796826907e-02 
5.80  3.088642957e-02 
5.82  3.371469664e-02 
5.84  3.645493204e-02 
5.86  3.910897057e-02 
5.88  4.167862026e-02 
5.90  4.416566256e-02 
5.92  4.626337705e-02 
5.94  4.399302035e-02 
5.96  2.846831075e-02 
5.98  8.252959531e-04 
6.00 -3.500729776e-22