# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt
# implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1
# composition = Ag2Pd
# 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  4.824687396e+06 
0.80  4.361997560e+06 
0.82  3.943691845e+06 
0.84  3.564575792e+06 
0.86  3.220179736e+06 
0.88  2.906656831e+06 
0.90  2.620724774e+06 
0.92  2.359432620e+06 
0.94  2.120182824e+06 
0.96  1.900735496e+06 
0.98  1.699085378e+06 
1.00  1.513462157e+06 
1.02  1.342345174e+06 
1.04  1.184379851e+06 
1.06  1.038357239e+06 
1.08  9.032019060e+05 
1.10  7.779057725e+05 
1.12  6.616092367e+05 
1.14  5.535507716e+05 
1.16  4.533399948e+05 
1.18  3.610827429e+05 
1.20  2.839843204e+05 
1.22  2.238401643e+05 
1.24  1.767912349e+05 
1.26  1.399024108e+05 
1.28  1.109187151e+05 
1.30  8.809951547e+04 
1.32  7.009188384e+04 
1.34  5.584626767e+04 
1.36  4.455814119e+04 
1.38  3.559743379e+04 
1.40  2.847317190e+04 
1.42  2.280113632e+04 
1.44  1.827821663e+04 
1.46  1.466693460e+04 
1.48  1.178018706e+04 
1.50  9.469368092e+03 
1.52  7.617601906e+03 
1.54  6.132360052e+03 
1.56  4.939914581e+03 
1.58  3.981399069e+03 
1.60  3.210030421e+03 
1.62  2.588903576e+03 
1.64  2.088466609e+03 
1.66  1.684904274e+03 
1.68  1.359349364e+03 
1.70  1.096670199e+03 
1.72  8.846908761e+02 
1.74  7.135951725e+02 
1.76  5.754582810e+02 
1.78  4.639305717e+02 
1.80  3.738792303e+02 
1.82  3.011456695e+02 
1.84  2.424103266e+02 
1.86  1.949908427e+02 
1.88  1.567172641e+02 
1.90  1.258337381e+02 
1.92  1.009197592e+02 
1.94  8.082708732e+01 
1.96  6.462707523e+01 
1.98  5.156867042e+01 
2.00  4.104424368e+01 
2.02  3.255831363e+01 
2.04  2.571595293e+01 
2.06  2.019960977e+01 
2.08  1.575241765e+01 
2.10  1.216674036e+01 
2.12  9.274861867e+00 
2.14  6.941259341e+00 
2.16  5.056153000e+00 
2.18  3.532073656e+00 
2.20  2.298364438e+00 
2.22  1.298077948e+00 
2.24  4.860671018e-01 
2.26 -1.740113192e-01 
2.28 -7.113995771e-01 
2.30 -1.149633359e+00 
2.32 -1.507611500e+00 
2.34 -1.800480499e+00 
2.36 -2.040369882e+00 
2.38 -2.236997860e+00 
2.40 -2.398137839e+00 
2.42 -2.530005811e+00 
2.44 -2.637573389e+00 
2.46 -2.724808188e+00 
2.48 -2.794878867e+00 
2.50 -2.850346235e+00 
2.52 -2.893278799e+00 
2.54 -2.925355839e+00 
2.56 -2.947949783e+00 
2.58 -2.962191706e+00 
2.60 -2.969023218e+00 
2.62 -2.969237425e+00 
2.64 -2.963511096e+00 
2.66 -2.952429821e+00 
2.68 -2.936507575e+00 
2.70 -2.916201843e+00 
2.72 -2.891925227e+00 
2.74 -2.864054304e+00 
2.76 -2.832936322e+00 
2.78 -2.798894216e+00 
2.80 -2.762230229e+00 
2.82 -2.723161724e+00 
2.84 -2.681867517e+00 
2.86 -2.638567567e+00 
2.88 -2.593499402e+00 
2.90 -2.546887951e+00 
2.92 -2.498946214e+00 
2.94 -2.449875758e+00 
2.96 -2.399838917e+00 
2.98 -2.348942300e+00 
3.00 -2.297352629e+00 
3.02 -2.245230561e+00 
3.04 -2.192727057e+00 
3.06 -2.139983608e+00 
3.08 -2.087132462e+00 
3.10 -2.034296866e+00 
3.12 -1.981591323e+00 
3.14 -1.929121856e+00 
3.16 -1.876986293e+00 
3.18 -1.825274554e+00 
3.20 -1.774068960e+00 
3.22 -1.723444542e+00 
3.24 -1.673469361e+00 
3.26 -1.624204829e+00 
3.28 -1.575706033e+00 
3.30 -1.527994464e+00 
3.32 -1.481072328e+00 
3.34 -1.434979448e+00 
3.36 -1.389751079e+00 
3.38 -1.345417738e+00 
3.40 -1.302005492e+00 
3.42 -1.259536247e+00 
3.44 -1.218028028e+00 
3.46 -1.177489378e+00 
3.48 -1.137845315e+00 
3.50 -1.099077071e+00 
3.52 -1.061192152e+00 
3.54 -1.024195577e+00 
3.56 -9.880900720e-01 
3.58 -9.528762568e-01 
3.60 -9.185528195e-01 
3.62 -8.851166837e-01 
3.64 -8.525631651e-01 
3.66 -8.208861195e-01 
3.68 -7.900780825e-01 
3.70 -7.601303997e-01 
3.72 -7.310333499e-01 
3.74 -7.027762599e-01 
3.76 -6.753476112e-01 
3.78 -6.487351412e-01 
3.80 -6.229259354e-01 
3.82 -5.979065147e-01 
3.84 -5.736629157e-01 
3.86 -5.501807650e-01 
3.88 -5.274453486e-01 
3.90 -5.054416750e-01 
3.92 -4.841545342e-01 
3.94 -4.635685514e-01 
3.96 -4.436682363e-01 
3.98 -4.244380284e-01 
4.00 -4.058623386e-01 
4.02 -3.879255863e-01 
4.04 -3.706122338e-01 
4.06 -3.539068175e-01 
4.08 -3.377939752e-01 
4.10 -3.222584718e-01 
4.12 -3.072852214e-01 
4.14 -2.928593078e-01 
4.16 -2.789660018e-01 
4.18 -2.655907770e-01 
4.20 -2.527193242e-01 
4.22 -2.403375624e-01 
4.24 -2.284316497e-01 
4.26 -2.169879922e-01 
4.28 -2.059932511e-01 
4.30 -1.954343487e-01 
4.32 -1.852984736e-01 
4.34 -1.755730844e-01 
4.36 -1.662459126e-01 
4.38 -1.573049643e-01 
4.40 -1.487385215e-01 
4.42 -1.405351426e-01 
4.44 -1.326836616e-01 
4.46 -1.251731876e-01 
4.48 -1.179931031e-01 
4.50 -1.111330621e-01 
4.52 -1.045829877e-01 
4.54 -9.833306894e-02 
4.56 -9.237375824e-02 
4.58 -8.669576740e-02 
4.60 -8.129006408e-02 
4.62 -7.614786773e-02 
4.64 -7.126064548e-02 
4.66 -6.662010769e-02 
4.68 -6.221820489e-02 
4.70 -5.804712036e-02 
4.72 -5.409926541e-02 
4.74 -5.036727638e-02 
4.76 -4.684400977e-02 
4.78 -4.352253715e-02 
4.80 -4.039614025e-02 
4.82 -3.745827551e-02 
4.84 -3.470225711e-02 
4.86 -3.212206336e-02 
4.88 -2.971196238e-02 
4.90 -2.745426733e-02 
4.92 -2.531767048e-02 
4.94 -2.329726653e-02 
4.96 -2.138921869e-02 
4.98 -1.958979701e-02 
5.00 -1.789537878e-02 
5.02 -1.630244801e-02 
5.04 -1.480759451e-02 
5.06 -1.340751299e-02 
5.08 -1.209900148e-02 
5.10 -1.087895962e-02 
5.12 -9.744386629e-03 
5.14 -8.692379146e-03 
5.16 -7.720104944e-03 
5.18 -6.824766541e-03 
5.20 -6.003778523e-03 
5.22 -5.254644565e-03 
5.24 -4.574942095e-03 
5.26 -3.962321935e-03 
5.28 -3.414507627e-03 
5.30 -2.929294502e-03 
5.32 -2.504548530e-03 
5.34 -2.138204996e-03 
5.36 -1.828266854e-03 
5.38 -1.558280498e-03 
5.40 -1.312566296e-03 
5.42 -1.090357334e-03 
5.44 -8.909092529e-04 
5.46 -7.135001215e-04 
5.48 -5.574300598e-04 
5.50 -4.220208134e-04 
5.52 -3.066152895e-04 
5.54 -2.105770596e-04 
5.56 -1.332898392e-04 
5.58 -7.415695058e-05 
5.60 -3.260077225e-05 
5.62 -8.062182619e-06 
5.64  2.078688719e-11 
5.66  0.000000000e+00 
5.68  0.000000000e+00 
5.70  0.000000000e+00 
5.72  0.000000000e+00 
5.74  0.000000000e+00 
5.76  0.000000000e+00 
5.78  0.000000000e+00 
5.80  0.000000000e+00 
5.82  0.000000000e+00 
5.84  0.000000000e+00 
5.86  0.000000000e+00 
5.88  0.000000000e+00 
5.90  0.000000000e+00 
5.92  0.000000000e+00 
5.94  0.000000000e+00 
5.96  0.000000000e+00 
5.98  0.000000000e+00 
6.00  0.000000000e+00