# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2019--Mendelev-M-I-Sun-Y-Zhang-F-et-al--Cu-Zr
# implementation = 2019--Mendelev-M-I--Cu-Zr--LAMMPS--ipr1
# composition = Cu2Zr
# 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  nan             
1.06  nan             
1.08  nan             
1.10  1.613859174e+04 
1.12  1.464948612e+04 
1.14  1.326453084e+04 
1.16  1.197471316e+04 
1.18  1.077191510e+04 
1.20  9.648872930e+03 
1.22  8.599073605e+03 
1.24  7.616631463e+03 
1.26  6.696214785e+03 
1.28  5.833021716e+03 
1.30  5.022725246e+03 
1.32  4.261368780e+03 
1.34  3.545297154e+03 
1.36  2.882629472e+03 
1.38  2.337656151e+03 
1.40  1.899108203e+03 
1.42  1.545548313e+03 
1.44  1.260020050e+03 
1.46  1.029007358e+03 
1.48  8.417742908e+02 
1.50  6.897637581e+02 
1.52  5.661264016e+02 
1.54  4.653691714e+02 
1.56  3.830826617e+02 
1.58  3.157720563e+02 
1.60  2.606227406e+02 
1.62  2.153493458e+02 
1.64  1.781165886e+02 
1.66  1.474445055e+02 
1.68  1.221309322e+02 
1.70  1.011882117e+02 
1.72  8.379627459e+01 
1.74  6.930467611e+01 
1.76  5.732891766e+01 
1.78  4.744143874e+01 
1.80  3.926092828e+01 
1.82  3.247888528e+01 
1.84  2.684570695e+01 
1.86  2.216147851e+01 
1.88  1.826737851e+01 
1.90  1.503312072e+01 
1.92  1.234736602e+01 
1.94  1.011097802e+01 
1.96  8.233209189e+00 
1.98  6.638767621e+00 
2.00  5.269556861e+00 
2.02  4.081852917e+00 
2.04  3.044117294e+00 
2.06  2.134051798e+00 
2.08  1.336379516e+00 
2.10  6.411537264e-01 
2.12  4.141437189e-02 
2.14 -4.696825638e-01 
2.16 -9.003436502e-01 
2.18 -1.260504315e+00 
2.20 -1.561153099e+00 
2.22 -1.816106069e+00 
2.24 -2.037147910e+00 
2.26 -2.230921115e+00 
2.28 -2.403142134e+00 
2.30 -2.559522332e+00 
2.32 -2.706762381e+00 
2.34 -2.851245455e+00 
2.36 -2.995795233e+00 
2.38 -3.140022106e+00 
2.40 -3.281369747e+00 
2.42 -3.416212964e+00 
2.44 -3.541604235e+00 
2.46 -3.655315534e+00 
2.48 -3.755152823e+00 
2.50 -3.839592246e+00 
2.52 -3.907946273e+00 
2.54 -3.960073238e+00 
2.56 -3.996028522e+00 
2.58 -4.016254099e+00 
2.60 -4.021739493e+00 
2.62 -4.014417412e+00 
2.64 -3.997180117e+00 
2.66 -3.971554895e+00 
2.68 -3.938930697e+00 
2.70 -3.900814274e+00 
2.72 -3.858608615e+00 
2.74 -3.813825380e+00 
2.76 -3.767985114e+00 
2.78 -3.722474644e+00 
2.80 -3.678343190e+00 
2.82 -3.636078433e+00 
2.84 -3.595633655e+00 
2.86 -3.556518021e+00 
2.88 -3.517900727e+00 
2.90 -3.478765948e+00 
2.92 -3.438051366e+00 
2.94 -3.394741322e+00 
2.96 -3.347983695e+00 
2.98 -3.297389824e+00 
3.00 -3.243300472e+00 
3.02 -3.186865547e+00 
3.04 -3.130101869e+00 
3.06 -3.075565551e+00 
3.08 -3.025095182e+00 
3.10 -2.979585686e+00 
3.12 -2.939205988e+00 
3.14 -2.903591365e+00 
3.16 -2.872007586e+00 
3.18 -2.843488139e+00 
3.20 -2.816948481e+00 
3.22 -2.791279395e+00 
3.24 -2.765420689e+00 
3.26 -2.738417265e+00 
3.28 -2.709459574e+00 
3.30 -2.677910173e+00 
3.32 -2.643318363e+00 
3.34 -2.605425122e+00 
3.36 -2.564158894e+00 
3.38 -2.519623761e+00 
3.40 -2.472081672e+00 
3.42 -2.421930136e+00 
3.44 -2.369676669e+00 
3.46 -2.315908378e+00 
3.48 -2.261254549e+00 
3.50 -2.206353801e+00 
3.52 -2.151824609e+00 
3.54 -2.098237997e+00 
3.56 -2.046093282e+00 
3.58 -1.995797726e+00 
3.60 -1.947650885e+00 
3.62 -1.901834365e+00 
3.64 -1.858407654e+00 
3.66 -1.817310595e+00 
3.68 -1.778373071e+00 
3.70 -1.741337185e+00 
3.72 -1.705902968e+00 
3.74 -1.671757912e+00 
3.76 -1.638592946e+00 
3.78 -1.606118885e+00 
3.80 -1.574082766e+00 
3.82 -1.542282833e+00 
3.84 -1.510580784e+00 
3.86 -1.478909770e+00 
3.88 -1.447276489e+00 
3.90 -1.415755602e+00 
3.92 -1.384474523e+00 
3.94 -1.353586462e+00 
3.96 -1.323229628e+00 
3.98 -1.293471013e+00 
4.00 -1.264273885e+00 
4.02 -1.235555741e+00 
4.04 -1.207236493e+00 
4.06 -1.179260562e+00 
4.08 -1.151592345e+00 
4.10 -1.124209425e+00 
4.12 -1.097096115e+00 
4.14 -1.070237252e+00 
4.16 -1.043612222e+00 
4.18 -1.017193172e+00 
4.20 -9.909674914e-01 
4.22 -9.649505192e-01 
4.24 -9.391790090e-01 
4.26 -9.137044846e-01 
4.28 -8.885876158e-01 
4.30 -8.638935149e-01 
4.32 -8.396878663e-01 
4.34 -8.160338408e-01 
4.36 -7.929896882e-01 
4.38 -7.706069430e-01 
4.40 -7.489292152e-01 
4.42 -7.279913822e-01 
4.44 -7.078184874e-01 
4.46 -6.884248987e-01 
4.48 -6.698144088e-01 
4.50 -6.519806491e-01 
4.52 -6.349077140e-01 
4.54 -6.185709439e-01 
4.56 -6.029378501e-01 
4.58 -5.879691116e-01 
4.60 -5.736196060e-01 
4.62 -5.598395094e-01 
4.64 -5.465754383e-01 
4.66 -5.337715941e-01 
4.68 -5.213705594e-01 
4.70 -5.093150634e-01 
4.72 -4.975494292e-01 
4.74 -4.860195807e-01 
4.76 -4.746758141e-01 
4.78 -4.634709557e-01 
4.80 -4.523643561e-01 
4.82 -4.413180610e-01 
4.84 -4.303030348e-01 
4.86 -4.192913111e-01 
4.88 -4.082659154e-01 
4.90 -3.972119410e-01 
4.92 -3.861186209e-01 
4.94 -3.749898012e-01 
4.96 -3.638199120e-01 
4.98 -3.526107104e-01 
5.00 -3.413868305e-01 
5.02 -3.301556270e-01 
5.04 -3.187597320e-01 
5.06 -3.073664717e-01 
5.08 -2.961686614e-01 
5.10 -2.853061893e-01 
5.12 -2.749395236e-01 
5.14 -2.650822625e-01 
5.16 -2.552887191e-01 
5.18 -2.452171287e-01 
5.20 -2.345796944e-01 
5.22 -2.235038615e-01 
5.24 -2.121644708e-01 
5.26 -2.007507279e-01 
5.28 -1.893907650e-01 
5.30 -1.779307900e-01 
5.32 -1.663081150e-01 
5.34 -1.545510483e-01 
5.36 -1.427449690e-01 
5.38 -1.309901083e-01 
5.40 -1.194568247e-01 
5.42 -1.084790790e-01 
5.44 -9.827693635e-02 
5.46 -8.896674907e-02 
5.48 -8.058945825e-02 
5.50 -7.313234591e-02 
5.52 -6.654560908e-02 
5.54 -6.075489634e-02 
5.56 -5.567074793e-02 
5.58 -5.119571040e-02 
5.60 -4.722975235e-02 
5.62 -4.367448638e-02 
5.64 -4.043660044e-02 
5.66 -3.743081810e-02 
5.68 -3.458263776e-02 
5.70 -3.183104517e-02 
5.72 -2.913134867e-02 
5.74 -2.645825111e-02 
5.76 -2.380924504e-02 
5.78 -2.120839665e-02 
5.80 -1.871056871e-02 
5.82 -1.640313492e-02 
5.84 -1.437809162e-02 
5.86 -1.270348837e-02 
5.88 -1.142407277e-02 
5.90 -1.056464686e-02 
5.92 -1.013318039e-02 
5.94 -1.012368775e-02 
5.96 -1.051887513e-02 
5.98 -1.129256518e-02 
6.00 -1.241190695e-02