# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Daw-M-S-Chandross-M--fictional-spread-alloy
# implementation = 2023--Daw-M-S--fictional-spread-alloy--LAMMPS--ipr1
# composition = AB2
# 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 2026-08-31

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  3.787173744e+06 
0.82  3.438686122e+06 
0.84  3.123041194e+06 
0.86  2.836512268e+06 
0.88  2.575861170e+06 
0.90  2.338256610e+06 
0.92  2.121232723e+06 
0.94  1.922673780e+06 
0.96  1.740674785e+06 
0.98  1.573575158e+06 
1.00  1.419918991e+06 
1.02  1.278390914e+06 
1.04  1.147839233e+06 
1.06  1.027254952e+06 
1.08  9.157342587e+05 
1.10  8.124630940e+05 
1.12  7.167114617e+05 
1.14  6.278137620e+05 
1.16  5.451840594e+05 
1.18  4.683002820e+05 
1.20  3.966840904e+05 
1.22  3.299075031e+05 
1.24  2.675997314e+05 
1.26  2.130771256e+05 
1.28  1.681740349e+05 
1.30  1.328200883e+05 
1.32  1.050766438e+05 
1.34  8.326016337e+04 
1.36  6.607140655e+04 
1.38  5.250234560e+04 
1.40  4.177203874e+04 
1.42  3.327373332e+04 
1.44  2.653198046e+04 
1.46  2.117626455e+04 
1.48  1.691660809e+04 
1.50  1.352497089e+04 
1.52  1.082177277e+04 
1.54  8.665104667e+03 
1.56  6.942537408e+03 
1.58  5.565318190e+03 
1.60  4.463330990e+03 
1.62  3.580910490e+03 
1.64  2.873823790e+03 
1.66  2.306960995e+03 
1.68  1.852241422e+03 
1.70  1.487286278e+03 
1.72  1.194200299e+03 
1.74  9.586794487e+02 
1.76  7.693880052e+02 
1.78  6.172506786e+02 
1.80  4.949763933e+02 
1.82  3.967002647e+02 
1.84  3.177220823e+02 
1.86  2.542634874e+02 
1.88  2.032820304e+02 
1.90  1.623308085e+02 
1.92  1.294455611e+02 
1.94  1.030450799e+02 
1.96  8.185424417e+01 
1.98  6.484197007e+01 
2.00  5.118834756e+01 
2.02  4.023392545e+01 
2.04  3.144748441e+01 
2.06  2.440094688e+01 
2.08  1.875046881e+01 
2.10  1.421940428e+01 
2.12  1.058636269e+01 
2.14  7.673353415e+00 
2.16  5.337346041e+00 
2.18  3.463507795e+00 
2.20  1.959733105e+00 
2.22  7.522199300e-01 
2.24 -2.181058650e-01 
2.26 -9.984791995e-01 
2.28 -1.626598208e+00 
2.30 -2.132474057e+00 
2.32 -2.540061701e+00 
2.34 -2.868514769e+00 
2.36 -3.133044984e+00 
2.38 -3.345653458e+00 
2.40 -3.515906507e+00 
2.42 -3.651428688e+00 
2.44 -3.758298438e+00 
2.46 -3.841347880e+00 
2.48 -3.904389516e+00 
2.50 -3.950521921e+00 
2.52 -3.982240988e+00 
2.54 -4.001558498e+00 
2.56 -4.010079674e+00 
2.58 -4.009141777e+00 
2.60 -3.999857347e+00 
2.62 -3.983158340e+00 
2.64 -3.959835775e+00 
2.66 -3.930570660e+00 
2.68 -3.895957989e+00 
2.70 -3.856525245e+00 
2.72 -3.812746579e+00 
2.74 -3.765053588e+00 
2.76 -3.713843448e+00 
2.78 -3.659484985e+00 
2.80 -3.602323174e+00 
2.82 -3.542682427e+00 
2.84 -3.480868971e+00 
2.86 -3.417172553e+00 
2.88 -3.351862140e+00 
2.90 -3.285167529e+00 
2.92 -3.217329428e+00 
2.94 -3.148541183e+00 
2.96 -3.078963872e+00 
2.98 -3.008801548e+00 
3.00 -2.938246696e+00 
3.02 -2.867479971e+00 
3.04 -2.796670449e+00 
3.06 -2.725968388e+00 
3.08 -2.655450278e+00 
3.10 -2.585233068e+00 
3.12 -2.515440196e+00 
3.14 -2.446185185e+00 
3.16 -2.377572036e+00 
3.18 -2.309695614e+00 
3.20 -2.242642060e+00 
3.22 -2.176489188e+00 
3.24 -2.111306893e+00 
3.26 -2.047157557e+00 
3.28 -1.984096453e+00 
3.30 -1.922172137e+00 
3.32 -1.861426842e+00 
3.34 -1.801896863e+00 
3.36 -1.743612926e+00 
3.38 -1.686600552e+00 
3.40 -1.630880410e+00 
3.42 -1.576468653e+00 
3.44 -1.523377249e+00 
3.46 -1.471614288e+00 
3.48 -1.421184286e+00 
3.50 -1.372088469e+00 
3.52 -1.324325045e+00 
3.54 -1.277889462e+00 
3.56 -1.232774655e+00 
3.58 -1.188970986e+00 
3.60 -1.146380076e+00 
3.62 -1.104923633e+00 
3.64 -1.064592358e+00 
3.66 -1.025375415e+00 
3.68 -9.872605880e-01 
3.70 -9.502344210e-01 
3.72 -9.142823529e-01 
3.74 -8.793888424e-01 
3.76 -8.455374857e-01 
3.78 -8.127111264e-01 
3.80 -7.808919575e-01 
3.82 -7.500616170e-01 
3.84 -7.202012761e-01 
3.86 -6.912917210e-01 
3.88 -6.633134294e-01 
3.90 -6.362466399e-01 
3.92 -6.100714167e-01 
3.94 -5.847677091e-01 
3.96 -5.603154057e-01 
3.98 -5.366943842e-01 
4.00 -5.138845565e-01 
4.02 -4.918659105e-01 
4.04 -4.706185471e-01 
4.06 -4.501227140e-01 
4.08 -4.303588364e-01 
4.10 -4.113075441e-01 
4.12 -3.929496958e-01 
4.14 -3.752664011e-01 
4.16 -3.582390388e-01 
4.18 -3.418492744e-01 
4.20 -3.260790743e-01 
4.22 -3.109107180e-01 
4.24 -2.963268092e-01 
4.26 -2.823102845e-01 
4.28 -2.688444206e-01 
4.30 -2.559128402e-01 
4.32 -2.434995166e-01 
4.34 -2.315887768e-01 
4.36 -2.201653036e-01 
4.38 -2.092141372e-01 
4.40 -1.987206747e-01 
4.42 -1.886706699e-01 
4.44 -1.790502317e-01 
4.46 -1.698458220e-01 
4.48 -1.610442542e-01 
4.50 -1.526326877e-01 
4.52 -1.445986239e-01 
4.54 -1.369299035e-01 
4.56 -1.296147023e-01 
4.58 -1.226415255e-01 
4.60 -1.159992027e-01 
4.62 -1.096765330e-01 
4.64 -1.036629149e-01 
4.66 -9.794838488e-02 
4.68 -9.252318552e-02 
4.70 -8.736907962e-02 
4.72 -8.245288708e-02 
4.74 -7.776546204e-02 
4.76 -7.329936856e-02 
4.78 -6.904737334e-02 
4.80 -6.500244582e-02 
4.82 -6.115775732e-02 
4.84 -5.750667935e-02 
4.86 -5.404278126e-02 
4.88 -5.075982728e-02 
4.90 -4.765177317e-02 
4.92 -4.471276249e-02 
4.94 -4.193712261e-02 
4.96 -3.931936041e-02 
4.98 -3.685415798e-02 
5.00 -3.453636805e-02 
5.02 -3.236100947e-02 
5.04 -3.032326259e-02 
5.06 -2.841846465e-02 
5.08 -2.662239808e-02 
5.10 -2.490704488e-02 
5.12 -2.326978234e-02 
5.14 -2.170813991e-02 
5.16 -2.021971868e-02 
5.18 -1.880218974e-02 
5.20 -1.745329257e-02 
5.22 -1.617083356e-02 
5.24 -1.495268440e-02 
5.26 -1.379677961e-02 
5.28 -1.270111565e-02 
5.30 -1.166374945e-02 
5.32 -1.068279683e-02 
5.34 -9.756430932e-03 
5.36 -8.882880736e-03 
5.38 -8.060382610e-03 
5.40 -7.287111020e-03 
5.42 -6.561535017e-03 
5.44 -5.882175177e-03 
5.46 -5.247576444e-03 
5.48 -4.656311547e-03 
5.50 -4.106983713e-03 
5.52 -3.598228769e-03 
5.54 -3.128716725e-03 
5.56 -2.697152901e-03 
5.58 -2.302278672e-03 
5.60 -1.942871884e-03 
5.62 -1.617746994e-03 
5.64 -1.325754972e-03 
5.66 -1.065783015e-03 
5.68 -8.367540937e-04 
5.70 -6.376263658e-04 
5.72 -4.673924862e-04 
5.74 -3.250788283e-04 
5.76 -2.097446401e-04 
5.78 -1.204811492e-04 
5.80 -5.641063198e-05 
5.82 -1.668545770e-05 
5.84 -4.871186504e-07 
5.86  1.480297366e-16 
5.88  1.480297366e-16 
5.90  1.480297366e-16 
5.92  1.480297366e-16 
5.94  1.480297366e-16 
5.96  1.480297366e-16 
5.98  1.480297366e-16 
6.00  1.480297366e-16