# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2011--Apostol-F-Mishin-Y--Al-Cu
# implementation = 2011--Apostol-F--Al-Cu--LAMMPS--ipr1
# composition = AlCu2
# 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  2.475118665e+02 
0.98  2.293309110e+02 
1.00  2.111608769e+02 
1.02  1.933371694e+02 
1.04  1.762025101e+02 
1.06  1.600164410e+02 
1.08  1.450453641e+02 
1.10  1.313160897e+02 
1.12  1.189016443e+02 
1.14  1.077833445e+02 
1.16  9.772759888e+01 
1.18  8.857847103e+01 
1.20  8.020456377e+01 
1.22  7.248541841e+01 
1.24  6.541509869e+01 
1.26  5.903334439e+01 
1.28  5.331104681e+01 
1.30  4.809699319e+01 
1.32  4.329104982e+01 
1.34  3.889285602e+01 
1.36  3.491721173e+01 
1.38  3.133405157e+01 
1.40  2.808542749e+01 
1.42  2.514106798e+01 
1.44  2.250214023e+01 
1.46  2.018347216e+01 
1.48  1.819897385e+01 
1.50  1.649696548e+01 
1.52  1.499152622e+01 
1.54  1.360994784e+01 
1.56  1.229430370e+01 
1.58  1.099636368e+01 
1.60  9.715537952e+00 
1.62  8.489563337e+00 
1.64  7.357064950e+00 
1.66  6.326383216e+00 
1.68  5.379355813e+00 
1.70  4.498821000e+00 
1.72  3.678162570e+00 
1.74  2.912242791e+00 
1.76  2.192119043e+00 
1.78  1.509737280e+00 
1.80  8.614015437e-01 
1.82  2.526473077e-01 
1.84 -3.024979812e-01 
1.86 -7.903221487e-01 
1.88 -1.208016995e+00 
1.90 -1.567457840e+00 
1.92 -1.881806626e+00 
1.94 -2.156523575e+00 
1.96 -2.390923814e+00 
1.98 -2.585672419e+00 
2.00 -2.742879808e+00 
2.02 -2.866855860e+00 
2.04 -2.964997651e+00 
2.06 -3.045198143e+00 
2.08 -3.114591867e+00 
2.10 -3.177476286e+00 
2.12 -3.236430417e+00 
2.14 -3.293574628e+00 
2.16 -3.349108044e+00 
2.18 -3.401122094e+00 
2.20 -3.446188747e+00 
2.22 -3.480434248e+00 
2.24 -3.503419988e+00 
2.26 -3.519605726e+00 
2.28 -3.533994895e+00 
2.30 -3.548726642e+00 
2.32 -3.562898021e+00 
2.34 -3.574622483e+00 
2.36 -3.583314595e+00 
2.38 -3.588187195e+00 
2.40 -3.587964670e+00 
2.42 -3.581629275e+00 
2.44 -3.569283821e+00 
2.46 -3.551277335e+00 
2.48 -3.527970410e+00 
2.50 -3.499732695e+00 
2.52 -3.466892621e+00 
2.54 -3.429738148e+00 
2.56 -3.388534526e+00 
2.58 -3.343557043e+00 
2.60 -3.295121507e+00 
2.62 -3.243372890e+00 
2.64 -3.188159830e+00 
2.66 -3.129896003e+00 
2.68 -3.069082098e+00 
2.70 -3.006242991e+00 
2.72 -2.941864069e+00 
2.74 -2.876335165e+00 
2.76 -2.809939890e+00 
2.78 -2.742703330e+00 
2.80 -2.674158652e+00 
2.82 -2.603491330e+00 
2.84 -2.530608397e+00 
2.86 -2.454821277e+00 
2.88 -2.374971139e+00 
2.90 -2.289803180e+00 
2.92 -2.198932432e+00 
2.94 -2.104387785e+00 
2.96 -2.009969631e+00 
2.98 -1.919903410e+00 
3.00 -1.837751880e+00 
3.02 -1.765572437e+00 
3.04 -1.702773849e+00 
3.06 -1.647833343e+00 
3.08 -1.599714947e+00 
3.10 -1.557734904e+00 
3.12 -1.521191572e+00 
3.14 -1.489348270e+00 
3.16 -1.461433120e+00 
3.18 -1.436650094e+00 
3.20 -1.414193325e+00 
3.22 -1.393338672e+00 
3.24 -1.373759693e+00 
3.26 -1.355252140e+00 
3.28 -1.337634210e+00 
3.30 -1.320739932e+00 
3.32 -1.304411278e+00 
3.34 -1.288493514e+00 
3.36 -1.272833291e+00 
3.38 -1.257277848e+00 
3.40 -1.241676458e+00 
3.42 -1.225887029e+00 
3.44 -1.209780615e+00 
3.46 -1.193244143e+00 
3.48 -1.176183487e+00 
3.50 -1.158526928e+00 
3.52 -1.140243353e+00 
3.54 -1.121384163e+00 
3.56 -1.102032378e+00 
3.58 -1.082285286e+00 
3.60 -1.062249385e+00 
3.62 -1.042031110e+00 
3.64 -1.021725707e+00 
3.66 -1.001407758e+00 
3.68 -9.811257381e-01 
3.70 -9.609040939e-01 
3.72 -9.407494095e-01 
3.74 -9.206598243e-01 
3.76 -9.006323268e-01 
3.78 -8.806684615e-01 
3.80 -8.607757316e-01 
3.82 -8.409677048e-01 
3.84 -8.212617988e-01 
3.86 -8.016766015e-01 
3.88 -7.822330012e-01 
3.90 -7.629521828e-01 
3.92 -7.438515538e-01 
3.94 -7.249447737e-01 
3.96 -7.062415720e-01 
3.98 -6.877477215e-01 
4.00 -6.694653133e-01 
4.02 -6.513975228e-01 
4.04 -6.335625290e-01 
4.06 -6.159797978e-01 
4.08 -5.986656450e-01 
4.10 -5.816335104e-01 
4.12 -5.648941228e-01 
4.14 -5.484557581e-01 
4.16 -5.323244897e-01 
4.18 -5.165044872e-01 
4.20 -5.009983396e-01 
4.22 -4.858073034e-01 
4.24 -4.709315403e-01 
4.26 -4.563703229e-01 
4.28 -4.421274463e-01 
4.30 -4.282271642e-01 
4.32 -4.146988037e-01 
4.34 -4.015712529e-01 
4.36 -3.888722902e-01 
4.38 -3.766277790e-01 
4.40 -3.648607867e-01 
4.42 -3.535907660e-01 
4.44 -3.428329781e-01 
4.46 -3.325983111e-01 
4.48 -3.228935974e-01 
4.50 -3.137224233e-01 
4.52 -3.050783938e-01 
4.54 -2.969227243e-01 
4.56 -2.892093140e-01 
4.58 -2.818937195e-01 
4.60 -2.749338401e-01 
4.62 -2.682902164e-01 
4.64 -2.619259975e-01 
4.66 -2.558066596e-01 
4.68 -2.498995911e-01 
4.70 -2.441736215e-01 
4.72 -2.385985593e-01 
4.74 -2.331447703e-01 
4.76 -2.277828172e-01 
4.78 -2.224831591e-01 
4.80 -2.172160928e-01 
4.82 -2.119521406e-01 
4.84 -2.066621812e-01 
4.86 -2.013172136e-01 
4.88 -1.958893796e-01 
4.90 -1.903516252e-01 
4.92 -1.846776782e-01 
4.94 -1.788421537e-01 
4.96 -1.728206471e-01 
4.98 -1.665898102e-01 
5.00 -1.601273943e-01 
5.02 -1.534258786e-01 
5.04 -1.465333024e-01 
5.06 -1.395123263e-01 
5.08 -1.324264380e-01 
5.10 -1.253397213e-01 
5.12 -1.183165728e-01 
5.14 -1.114213788e-01 
5.16 -1.047181544e-01 
5.18 -9.827013473e-02 
5.20 -9.213928135e-02 
5.22 -8.638563865e-02 
5.24 -8.106644512e-02 
5.26 -7.623488438e-02 
5.28 -7.193834893e-02 
5.30 -6.821610498e-02 
5.32 -6.509629264e-02 
5.34 -6.259228700e-02 
5.36 -6.069859817e-02 
5.38 -5.938670882e-02 
5.40 -5.860153909e-02 
5.42 -5.825954600e-02 
5.44 -5.824971134e-02 
5.46 -5.843869541e-02 
5.48 -5.868104029e-02 
5.50 -5.883437221e-02 
5.52 -5.876105846e-02 
5.54 -5.829625466e-02 
5.56 -5.731504369e-02 
5.58 -5.575836188e-02 
5.60 -5.363252734e-02 
5.62 -5.099962063e-02 
5.64 -4.796117982e-02 
5.66 -4.463908985e-02 
5.68 -4.115754131e-02 
5.70 -3.762885380e-02 
5.72 -3.414443206e-02 
5.74 -3.077075228e-02 
5.76 -2.754839062e-02 
5.78 -2.449339837e-02 
5.80 -2.160906206e-02 
5.82 -1.888623597e-02 
5.84 -1.630817490e-02 
5.86 -1.387669097e-02 
5.88 -1.161880448e-02 
5.90 -9.559106876e-03 
5.92 -7.716231155e-03 
5.94 -6.101444334e-03 
5.96 -4.717868798e-03 
5.98 -3.560454511e-03 
6.00 -2.616700613e-03