# 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 = CuZr2
# 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  1.416599333e+04 
1.12  1.308571510e+04 
1.14  1.208126280e+04 
1.16  1.114611911e+04 
1.18  1.027449228e+04 
1.20  9.461037659e+03 
1.22  8.700942522e+03 
1.24  7.989844714e+03 
1.26  7.323770647e+03 
1.28  6.699141646e+03 
1.30  6.112758093e+03 
1.32  5.561707190e+03 
1.34  5.043301239e+03 
1.36  4.555145972e+03 
1.38  4.095103098e+03 
1.40  3.661227401e+03 
1.42  3.251753856e+03 
1.44  2.865123792e+03 
1.46  2.499768202e+03 
1.48  2.154272972e+03 
1.50  1.827346787e+03 
1.52  1.522940021e+03 
1.54  1.267690589e+03 
1.56  1.057239483e+03 
1.58  8.833422579e+02 
1.60  7.393393730e+02 
1.62  6.198416762e+02 
1.64  5.204774149e+02 
1.66  4.376907765e+02 
1.68  3.685771536e+02 
1.70  3.107484141e+02 
1.72  2.622297678e+02 
1.74  2.214026468e+02 
1.76  1.869521592e+02 
1.78  1.578027626e+02 
1.80  1.330688112e+02 
1.82  1.120182478e+02 
1.84  9.404531014e+01 
1.86  7.865016477e+01 
1.88  6.558386055e+01 
1.90  5.464739633e+01 
1.92  4.548332007e+01 
1.94  3.778929200e+01 
1.96  3.130686714e+01 
1.98  2.582216008e+01 
2.00  2.116685665e+01 
2.02  1.723762796e+01 
2.04  1.392053155e+01 
2.06  1.111548672e+01 
2.08  8.742072782e+00 
2.10  6.735808587e+00 
2.12  5.044344299e+00 
2.14  3.623391749e+00 
2.16  2.433598268e+00 
2.18  1.438736418e+00 
2.20  6.058331462e-01 
2.22 -9.725629330e-02 
2.24 -6.976142708e-01 
2.26 -1.214668051e+00 
2.28 -1.664787281e+00 
2.30 -2.062440488e+00 
2.32 -2.421251344e+00 
2.34 -2.752585999e+00 
2.36 -3.062763911e+00 
2.38 -3.354414892e+00 
2.40 -3.627752930e+00 
2.42 -3.881570686e+00 
2.44 -4.114086719e+00 
2.46 -4.323621240e+00 
2.48 -4.509072438e+00 
2.50 -4.670168796e+00 
2.52 -4.807451840e+00 
2.54 -4.921939511e+00 
2.56 -5.014622774e+00 
2.58 -5.086617801e+00 
2.60 -5.139364679e+00 
2.62 -5.175147375e+00 
2.64 -5.197670704e+00 
2.66 -5.210304785e+00 
2.68 -5.215293916e+00 
2.70 -5.214335019e+00 
2.72 -5.208734055e+00 
2.74 -5.199421552e+00 
2.76 -5.187078688e+00 
2.78 -5.172233509e+00 
2.80 -5.155212861e+00 
2.82 -5.136107654e+00 
2.84 -5.114740004e+00 
2.86 -5.090807637e+00 
2.88 -5.064206867e+00 
2.90 -5.034231828e+00 
2.92 -4.999718476e+00 
2.94 -4.959731851e+00 
2.96 -4.913510430e+00 
2.98 -4.860818385e+00 
3.00 -4.802183585e+00 
3.02 -4.738954242e+00 
3.04 -4.673422447e+00 
3.06 -4.608482778e+00 
3.08 -4.546242585e+00 
3.10 -4.487780376e+00 
3.12 -4.433385930e+00 
3.14 -4.382779993e+00 
3.16 -4.335317885e+00 
3.18 -4.290134619e+00 
3.20 -4.246253893e+00 
3.22 -4.202676087e+00 
3.24 -4.158446896e+00 
3.26 -4.112707183e+00 
3.28 -4.064728183e+00 
3.30 -4.013936112e+00 
3.32 -3.959926106e+00 
3.34 -3.902467951e+00 
3.36 -3.841503237e+00 
3.38 -3.777135444e+00 
3.40 -3.709614832e+00 
3.42 -3.639319513e+00 
3.44 -3.566733889e+00 
3.46 -3.492421181e+00 
3.48 -3.416985924e+00 
3.50 -3.341043228e+00 
3.52 -3.265192270e+00 
3.54 -3.189991392e+00 
3.56 -3.115935377e+00 
3.58 -3.043435417e+00 
3.60 -2.972802196e+00 
3.62 -2.904232395e+00 
3.64 -2.837798840e+00 
3.66 -2.773444418e+00 
3.68 -2.710979808e+00 
3.70 -2.650099715e+00 
3.72 -2.590462682e+00 
3.74 -2.531739156e+00 
3.76 -2.473623503e+00 
3.78 -2.415845976e+00 
3.80 -2.358184933e+00 
3.82 -2.300478195e+00 
3.84 -2.242633021e+00 
3.86 -2.184632634e+00 
3.88 -2.126536597e+00 
3.90 -2.068473781e+00 
3.92 -2.010626064e+00 
3.94 -1.953200724e+00 
3.96 -1.896389300e+00 
3.98 -1.840311279e+00 
4.00 -1.784981801e+00 
4.02 -1.730370144e+00 
4.04 -1.676448728e+00 
4.06 -1.623216351e+00 
4.08 -1.570695086e+00 
4.10 -1.518925228e+00 
4.12 -1.467960864e+00 
4.14 -1.417866002e+00 
4.16 -1.368711225e+00 
4.18 -1.320570806e+00 
4.20 -1.273520262e+00 
4.22 -1.227634289e+00 
4.24 -1.182985037e+00 
4.26 -1.139640703e+00 
4.28 -1.097664379e+00 
4.30 -1.057113152e+00 
4.32 -1.018037392e+00 
4.34 -9.804802198e-01 
4.36 -9.444771243e-01 
4.38 -9.100556939e-01 
4.40 -8.772354398e-01 
4.42 -8.460276616e-01 
4.44 -8.164346246e-01 
4.46 -7.884486644e-01 
4.48 -7.620519123e-01 
4.50 -7.372160781e-01 
4.52 -7.139023672e-01 
4.54 -6.920613084e-01 
4.56 -6.716328680e-01 
4.58 -6.525464869e-01 
4.60 -6.347213617e-01 
4.62 -6.180669476e-01 
4.64 -6.024836763e-01 
4.66 -5.878638713e-01 
4.68 -5.740930366e-01 
4.70 -5.610523130e-01 
4.72 -5.486216579e-01 
4.74 -5.366807710e-01 
4.76 -5.251138903e-01 
4.78 -5.138108654e-01 
4.80 -5.026723862e-01 
4.82 -4.916110813e-01 
4.84 -4.805604268e-01 
4.86 -4.694706167e-01 
4.88 -4.583216227e-01 
4.90 -4.470963582e-01 
4.92 -4.357854126e-01 
4.94 -4.243957571e-01 
4.96 -4.129195172e-01 
4.98 -4.013625553e-01 
5.00 -3.897580981e-01 
5.02 -3.781141047e-01 
5.04 -3.662308241e-01 
5.06 -3.543302445e-01 
5.08 -3.426652048e-01 
5.10 -3.314192678e-01 
5.12 -3.208016597e-01 
5.14 -3.108342058e-01 
5.16 -3.009219932e-01 
5.18 -2.906193106e-01 
5.20 -2.795915715e-01 
5.22 -2.678712749e-01 
5.24 -2.555692892e-01 
5.26 -2.428332899e-01 
5.28 -2.298057755e-01 
5.30 -2.165344190e-01 
5.32 -2.031041161e-01 
5.34 -1.896308694e-01 
5.36 -1.762447708e-01 
5.38 -1.630648136e-01 
5.40 -1.502467909e-01 
5.42 -1.380591838e-01 
5.44 -1.266742304e-01 
5.46 -1.161782895e-01 
5.48 -1.065954326e-01 
5.50 -9.790553410e-02 
5.52 -9.005802409e-02 
5.54 -8.298227711e-02 
5.56 -7.659543597e-02 
5.58 -7.080832755e-02 
5.60 -6.553000368e-02 
5.62 -6.067133709e-02 
5.64 -5.614801591e-02 
5.66 -5.188320876e-02 
5.68 -4.781011382e-02 
5.70 -4.387455788e-02 
5.72 -4.003777311e-02 
5.74 -3.627944972e-02 
5.76 -3.260113891e-02 
5.78 -2.903006345e-02 
5.80 -2.562337974e-02 
5.82 -2.246993992e-02 
5.84 -1.966245690e-02 
5.86 -1.726899201e-02 
5.88 -1.533365946e-02 
5.90 -1.388004386e-02 
5.92 -1.291437585e-02 
5.94 -1.242847172e-02 
5.96 -1.240244356e-02 
5.98 -1.280718651e-02 
6.00 -1.360665067e-02