# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Wilson-S-R-Mendelev-M-I--Ni-Zr
# implementation = 2015--Wilson-S-R--Ni-Zr--LAMMPS--ipr1
# composition = NiZr2
# 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  3.359588418e+04 
1.12  3.076659356e+04 
1.14  2.813536032e+04 
1.16  2.568604447e+04 
1.18  2.340348867e+04 
1.20  2.127340516e+04 
1.22  1.928248828e+04 
1.24  1.741845453e+04 
1.26  1.567038590e+04 
1.28  1.402911540e+04 
1.30  1.248687339e+04 
1.32  1.103644818e+04 
1.34  9.671178047e+03 
1.36  8.385122913e+03 
1.38  7.173214633e+03 
1.40  6.036861716e+03 
1.42  5.065015064e+03 
1.44  4.260548249e+03 
1.46  3.592354057e+03 
1.48  3.035364655e+03 
1.50  2.569389091e+03 
1.52  2.178076502e+03 
1.54  1.848115610e+03 
1.56  1.568672565e+03 
1.58  1.330937940e+03 
1.60  1.127755630e+03 
1.62  9.533231748e+02 
1.64  8.029779008e+02 
1.66  6.755577245e+02 
1.68  5.689100885e+02 
1.70  4.795510413e+02 
1.72  4.045856847e+02 
1.74  3.416071769e+02 
1.76  2.886159846e+02 
1.78  2.439521312e+02 
1.80  2.062400872e+02 
1.82  1.743431900e+02 
1.84  1.473249712e+02 
1.86  1.244146236e+02 
1.88  1.049723836e+02 
1.90  8.846320901e+01 
1.92  7.443542484e+01 
1.94  6.250720426e+01 
1.96  5.235607291e+01 
1.98  4.370978812e+01 
2.00  3.634282244e+01 
2.02  3.009567467e+01 
2.04  2.479916364e+01 
2.06  2.030101588e+01 
2.08  1.647281073e+01 
2.10  1.320682161e+01 
2.12  1.041343935e+01 
2.14  8.019114691e+00 
2.16  5.963495276e+00 
2.18  4.197174595e+00 
2.20  2.680986822e+00 
2.22  1.383445716e+00 
2.24  2.765448111e-01 
2.26 -6.656631546e-01 
2.28 -1.466481486e+00 
2.30 -2.146433440e+00 
2.32 -2.725873939e+00 
2.34 -3.222098200e+00 
2.36 -3.647253498e+00 
2.38 -4.011928373e+00 
2.40 -4.325266277e+00 
2.42 -4.594960100e+00 
2.44 -4.827283900e+00 
2.46 -5.027169701e+00 
2.48 -5.198341816e+00 
2.50 -5.343533036e+00 
2.52 -5.464797537e+00 
2.54 -5.563938298e+00 
2.56 -5.642900731e+00 
2.58 -5.703533202e+00 
2.60 -5.747398680e+00 
2.62 -5.775834069e+00 
2.64 -5.790114520e+00 
2.66 -5.791581585e+00 
2.68 -5.781684540e+00 
2.70 -5.762397926e+00 
2.72 -5.736641979e+00 
2.74 -5.707230409e+00 
2.76 -5.676149920e+00 
2.78 -5.644920195e+00 
2.80 -5.614781806e+00 
2.82 -5.586642431e+00 
2.84 -5.560979839e+00 
2.86 -5.537779874e+00 
2.88 -5.516383621e+00 
2.90 -5.495462452e+00 
2.92 -5.473732962e+00 
2.94 -5.450208988e+00 
2.96 -5.424084395e+00 
2.98 -5.394702178e+00 
3.00 -5.361580808e+00 
3.02 -5.324457340e+00 
3.04 -5.283449981e+00 
3.06 -5.239026328e+00 
3.08 -5.191715666e+00 
3.10 -5.142060923e+00 
3.12 -5.090766340e+00 
3.14 -5.038660343e+00 
3.16 -4.986140036e+00 
3.18 -4.932834091e+00 
3.20 -4.878135422e+00 
3.22 -4.822019021e+00 
3.24 -4.765001464e+00 
3.26 -4.707593220e+00 
3.28 -4.650038960e+00 
3.30 -4.592352367e+00 
3.32 -4.534360970e+00 
3.34 -4.475753566e+00 
3.36 -4.416178493e+00 
3.38 -4.355338284e+00 
3.40 -4.293005905e+00 
3.42 -4.229030352e+00 
3.44 -4.163341200e+00 
3.46 -4.095947419e+00 
3.48 -4.026919282e+00 
3.50 -3.956375020e+00 
3.52 -3.884477612e+00 
3.54 -3.811430121e+00 
3.56 -3.737468526e+00 
3.58 -3.662852157e+00 
3.60 -3.587851909e+00 
3.62 -3.512736460e+00 
3.64 -3.437756770e+00 
3.66 -3.363129214e+00 
3.68 -3.289017778e+00 
3.70 -3.215529810e+00 
3.72 -3.142768847e+00 
3.74 -3.070855015e+00 
3.76 -2.999910353e+00 
3.78 -2.930044726e+00 
3.80 -2.861344083e+00 
3.82 -2.793861627e+00 
3.84 -2.727613264e+00 
3.86 -2.662577308e+00 
3.88 -2.598697918e+00 
3.90 -2.535893439e+00 
3.92 -2.474070297e+00 
3.94 -2.413143153e+00 
3.96 -2.353061974e+00 
3.98 -2.293846221e+00 
4.00 -2.235592710e+00 
4.02 -2.178412090e+00 
4.04 -2.122398017e+00 
4.06 -2.067620458e+00 
4.08 -2.014127603e+00 
4.10 -1.961948445e+00 
4.12 -1.911095235e+00 
4.14 -1.861565806e+00 
4.16 -1.813345761e+00 
4.18 -1.766410508e+00 
4.20 -1.720727160e+00 
4.22 -1.676256269e+00 
4.24 -1.632953409e+00 
4.26 -1.590770601e+00 
4.28 -1.549657578e+00 
4.30 -1.509562887e+00 
4.32 -1.470434837e+00 
4.34 -1.432222288e+00 
4.36 -1.394875282e+00 
4.38 -1.358345534e+00 
4.40 -1.322586772e+00 
4.42 -1.287554941e+00 
4.44 -1.253208282e+00 
4.46 -1.219507293e+00 
4.48 -1.186414584e+00 
4.50 -1.153894637e+00 
4.52 -1.121913494e+00 
4.54 -1.090438385e+00 
4.56 -1.059437301e+00 
4.58 -1.028878590e+00 
4.60 -9.987305257e-01 
4.62 -9.689608914e-01 
4.64 -9.395366633e-01 
4.66 -9.104238338e-01 
4.68 -8.815873783e-01 
4.70 -8.529921919e-01 
4.72 -8.246040695e-01 
4.74 -7.963905091e-01 
4.76 -7.683217510e-01 
4.78 -7.403722386e-01 
4.80 -7.125221500e-01 
4.82 -6.847593270e-01 
4.84 -6.570815614e-01 
4.86 -6.295021839e-01 
4.88 -6.020475030e-01 
4.90 -5.747469634e-01 
4.92 -5.476422424e-01 
4.94 -5.207605688e-01 
4.96 -4.941609103e-01 
4.98 -4.678515920e-01 
5.00 -4.419347281e-01 
5.02 -4.161004278e-01 
5.04 -3.906420602e-01 
5.06 -3.665323274e-01 
5.08 -3.445900808e-01 
5.10 -3.238100271e-01 
5.12 -3.018660236e-01 
5.14 -2.779055448e-01 
5.16 -2.525669886e-01 
5.18 -2.265774061e-01 
5.20 -1.999117847e-01 
5.22 -1.728412739e-01 
5.24 -1.459519365e-01 
5.26 -1.202579119e-01 
5.28 -9.723007468e-02 
5.30 -7.758033299e-02 
5.32 -6.146753976e-02 
5.34 -4.874081721e-02 
5.36 -3.909492386e-02 
5.38 -3.216390579e-02 
5.40 -2.757308847e-02 
5.42 -2.496428843e-02 
5.44 -2.400489421e-02 
5.46 -2.438810699e-02 
5.48 -2.582905158e-02 
5.50 -2.805956500e-02 
5.52 -3.082480238e-02 
5.54 -3.389754447e-02 
5.56 -3.709459654e-02 
5.58 -4.027812157e-02 
5.60 -4.335611107e-02 
5.62 -4.628166124e-02 
5.64 -4.903525133e-02 
5.66 -5.160577610e-02 
5.68 -5.398786649e-02 
5.70 -5.618095402e-02 
5.72 -5.818842157e-02 
5.74 -6.001683587e-02 
5.76 -6.167525714e-02 
5.78 -6.317462158e-02 
5.80 -6.452719238e-02 
5.82 -6.574607503e-02 
5.84 -6.684479307e-02 
5.86 -6.783692009e-02 
5.88 -6.873576441e-02 
5.90 -6.955410258e-02 
5.92 -7.030395818e-02 
5.94 -7.099642243e-02 
5.96 -7.164151329e-02 
5.98 -7.224806978e-02 
6.00 -7.282367840e-02