# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2016--Zhang-Y-Ashcraft-R-Mendelev-M-I-et-al--Ni-Nb
# implementation = 2016--Zhang-Y--Ni-Nb--LAMMPS--ipr1
# composition = Nb2Ni
# 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  4.181689115e+04 
1.06  3.883280734e+04 
1.08  3.606785155e+04 
1.10  3.350228477e+04 
1.12  3.111829898e+04 
1.14  2.889994703e+04 
1.16  2.683323511e+04 
1.18  2.490570589e+04 
1.20  2.310602584e+04 
1.22  2.142391098e+04 
1.24  1.985005190e+04 
1.26  1.837590845e+04 
1.28  1.699366827e+04 
1.30  1.569620621e+04 
1.32  1.447698313e+04 
1.34  1.333004203e+04 
1.36  1.225004058e+04 
1.38  1.123224317e+04 
1.40  1.027235220e+04 
1.42  9.366425802e+03 
1.44  8.510853394e+03 
1.46  7.702304526e+03 
1.48  6.937755066e+03 
1.50  6.214392389e+03 
1.52  5.529560190e+03 
1.54  4.880758209e+03 
1.56  4.276046579e+03 
1.58  3.750068910e+03 
1.60  3.293635042e+03 
1.62  2.895165172e+03 
1.64  2.545186549e+03 
1.66  2.235940466e+03 
1.68  1.961061072e+03 
1.70  1.715309977e+03 
1.72  1.494368368e+03 
1.74  1.294671563e+03 
1.76  1.113272665e+03 
1.78  9.477213146e+02 
1.80  7.959604875e+02 
1.82  6.562524806e+02 
1.84  5.330349434e+02 
1.86  4.321104422e+02 
1.88  3.495694933e+02 
1.90  2.821104422e+02 
1.92  2.270206687e+02 
1.94  1.820724474e+02 
1.96  1.454369523e+02 
1.98  1.156134074e+02 
2.00  9.137174775e+01 
2.02  7.170982434e+01 
2.04  5.579780649e+01 
2.06  4.295187110e+01 
2.08  3.260980044e+01 
2.10  2.430948243e+01 
2.12  1.767454198e+01 
2.14  1.239492276e+01 
2.16  8.212657121e+00 
2.18  4.916097598e+00 
2.20  2.331913382e+00 
2.22  3.184595252e-01 
2.24 -1.239758697e+00 
2.26 -2.436721401e+00 
2.28 -3.348699276e+00 
2.30 -4.037378123e+00 
2.32 -4.552432127e+00 
2.34 -4.933701112e+00 
2.36 -5.213016763e+00 
2.38 -5.415659375e+00 
2.40 -5.561548257e+00 
2.42 -5.666221986e+00 
2.44 -5.741634447e+00 
2.46 -5.796799285e+00 
2.48 -5.838326164e+00 
2.50 -5.870882280e+00 
2.52 -5.897575707e+00 
2.54 -5.920270313e+00 
2.56 -5.939842997e+00 
2.58 -5.956406283e+00 
2.60 -5.969523595e+00 
2.62 -5.978465679e+00 
2.64 -5.982527373e+00 
2.66 -5.981230818e+00 
2.68 -5.974347397e+00 
2.70 -5.961822394e+00 
2.72 -5.943697475e+00 
2.74 -5.920084859e+00 
2.76 -5.891146972e+00 
2.78 -5.857092031e+00 
2.80 -5.818179424e+00 
2.82 -5.774703709e+00 
2.84 -5.726970958e+00 
2.86 -5.675269649e+00 
2.88 -5.619857278e+00 
2.90 -5.561037115e+00 
2.92 -5.499204985e+00 
2.94 -5.434832714e+00 
2.96 -5.368449116e+00 
2.98 -5.300617458e+00 
3.00 -5.231910715e+00 
3.02 -5.162861717e+00 
3.04 -5.093896890e+00 
3.06 -5.025323668e+00 
3.08 -4.957328483e+00 
3.10 -4.889972691e+00 
3.12 -4.823209252e+00 
3.14 -4.756953888e+00 
3.16 -4.691130797e+00 
3.18 -4.625691421e+00 
3.20 -4.560612758e+00 
3.22 -4.495893769e+00 
3.24 -4.431538221e+00 
3.26 -4.367532599e+00 
3.28 -4.303847969e+00 
3.30 -4.240445772e+00 
3.32 -4.177283059e+00 
3.34 -4.114317138e+00 
3.36 -4.051510491e+00 
3.38 -3.988837673e+00 
3.40 -3.926288382e+00 
3.42 -3.863867697e+00 
3.44 -3.801595278e+00 
3.46 -3.739503454e+00 
3.48 -3.677634561e+00 
3.50 -3.616039190e+00 
3.52 -3.554774465e+00 
3.54 -3.493901633e+00 
3.56 -3.433483025e+00 
3.58 -3.373578365e+00 
3.60 -3.314240358e+00 
3.62 -3.255509847e+00 
3.64 -3.197416735e+00 
3.66 -3.139985817e+00 
3.68 -3.083236222e+00 
3.70 -3.027179892e+00 
3.72 -2.971822742e+00 
3.74 -2.917165880e+00 
3.76 -2.863205863e+00 
3.78 -2.809934989e+00 
3.80 -2.757341676e+00 
3.82 -2.705410916e+00 
3.84 -2.654124791e+00 
3.86 -2.603463065e+00 
3.88 -2.553403812e+00 
3.90 -2.503924093e+00 
3.92 -2.455000664e+00 
3.94 -2.406610689e+00 
3.96 -2.358732460e+00 
3.98 -2.311346103e+00 
4.00 -2.264434241e+00 
4.02 -2.217982609e+00 
4.04 -2.171980595e+00 
4.06 -2.126421686e+00 
4.08 -2.081303787e+00 
4.10 -2.036629410e+00 
4.12 -1.992405678e+00 
4.14 -1.948644145e+00 
4.16 -1.905360381e+00 
4.18 -1.862573306e+00 
4.20 -1.820304234e+00 
4.22 -1.778575597e+00 
4.24 -1.737409330e+00 
4.26 -1.696825420e+00 
4.28 -1.656841377e+00 
4.30 -1.617471773e+00 
4.32 -1.578727737e+00 
4.34 -1.540616488e+00 
4.36 -1.503140913e+00 
4.38 -1.466299206e+00 
4.40 -1.430084572e+00 
4.42 -1.394485014e+00 
4.44 -1.359483680e+00 
4.46 -1.325062181e+00 
4.48 -1.291203095e+00 
4.50 -1.257890325e+00 
4.52 -1.225109277e+00 
4.54 -1.192846990e+00 
4.56 -1.161092212e+00 
4.58 -1.129835439e+00 
4.60 -1.099068905e+00 
4.62 -1.068786534e+00 
4.64 -1.038983846e+00 
4.66 -1.009657843e+00 
4.68 -9.808068340e-01 
4.70 -9.524302576e-01 
4.72 -9.245284539e-01 
4.74 -8.971024175e-01 
4.76 -8.701535332e-01 
4.78 -8.436832589e-01 
4.80 -8.176928369e-01 
4.82 -7.921829447e-01 
4.84 -7.671533759e-01 
4.86 -7.426026259e-01 
4.88 -7.185275940e-01 
4.90 -6.949231907e-01 
4.92 -6.717819575e-01 
4.94 -6.490937056e-01 
4.96 -6.268451671e-01 
4.98 -6.050196286e-01 
5.00 -5.835965697e-01 
5.02 -5.625516388e-01 
5.04 -5.418602802e-01 
5.06 -5.215012839e-01 
5.08 -5.014557383e-01 
5.10 -4.817091410e-01 
5.12 -4.622500061e-01 
5.14 -4.430682536e-01 
5.16 -4.241621098e-01 
5.18 -4.055257566e-01 
5.20 -3.871669063e-01 
5.22 -3.690930618e-01 
5.24 -3.513017064e-01 
5.26 -3.338421351e-01 
5.28 -3.164942644e-01 
5.30 -2.993732609e-01 
5.32 -2.829578115e-01 
5.34 -2.675874003e-01 
5.36 -2.534808514e-01 
5.38 -2.395772171e-01 
5.40 -2.249038613e-01 
5.42 -2.091941945e-01 
5.44 -1.927584220e-01 
5.46 -1.759790075e-01 
5.48 -1.589159417e-01 
5.50 -1.415203488e-01 
5.52 -1.239507346e-01 
5.54 -1.064628439e-01 
5.56 -8.942195821e-02 
5.58 -7.351668674e-02 
5.60 -5.916645555e-02 
5.62 -4.653846792e-02 
5.64 -3.564082213e-02 
5.66 -2.638720555e-02 
5.68 -1.864055288e-02 
5.70 -1.224145920e-02 
5.72 -7.025814981e-03 
5.74 -2.835046945e-03 
5.76  4.785258782e-04 
5.78  3.049405958e-03 
5.80  4.998427780e-03 
5.82  6.433205603e-03 
5.84  7.448967000e-03 
5.86  8.129443334e-03 
5.88  8.547643184e-03 
5.90  8.766437353e-03 
5.92  8.838947547e-03 
5.94  8.808766076e-03 
5.96  8.710049712e-03 
5.98  8.567533904e-03 
6.00  8.396493029e-03