# 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 = AuPd2
# 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  3.008953414e+06 
0.80  2.732774791e+06 
0.82  2.483219183e+06 
0.84  2.257158544e+06 
0.86  2.051934900e+06 
0.88  1.865239262e+06 
0.90  1.695067619e+06 
0.92  1.539651016e+06 
0.94  1.397450914e+06 
0.96  1.267109979e+06 
0.98  1.147436430e+06 
1.00  1.037380057e+06 
1.02  9.360226516e+05 
1.04  8.425305921e+05 
1.06  7.561664767e+05 
1.08  6.762906224e+05 
1.10  6.023093288e+05 
1.12  5.337032125e+05 
1.14  4.700151186e+05 
1.16  4.108199659e+05 
1.18  3.557413694e+05 
1.20  3.044487340e+05 
1.22  2.566375307e+05 
1.24  2.120143847e+05 
1.26  1.706815801e+05 
1.28  1.348332593e+05 
1.30  1.065438960e+05 
1.32  8.432775606e+04 
1.34  6.684141253e+04 
1.36  5.305507860e+04 
1.38  4.216841526e+04 
1.40  3.355822065e+04 
1.42  2.673820452e+04 
1.44  2.132719430e+04 
1.46  1.702833461e+04 
1.48  1.360899046e+04 
1.50  1.088596224e+04 
1.52  8.715127413e+03 
1.54  6.982812519e+03 
1.56  5.598959735e+03 
1.58  4.492110307e+03 
1.60  3.605622271e+03 
1.62  2.895153762e+03 
1.64  2.325461482e+03 
1.66  1.868415299e+03 
1.68  1.501549905e+03 
1.70  1.206963498e+03 
1.72  9.703393547e+02 
1.74  7.802064093e+02 
1.76  6.273734148e+02 
1.78  5.044966255e+02 
1.80  4.056688119e+02 
1.82  3.261272252e+02 
1.84  2.621031295e+02 
1.86  2.105680979e+02 
1.88  1.690847656e+02 
1.90  1.356898229e+02 
1.92  1.088018591e+02 
1.94  8.715109617e+01 
1.96  6.971584923e+01 
1.98  5.567309813e+01 
2.00  4.435931792e+01 
2.02  3.523758595e+01 
2.04  2.787988955e+01 
2.06  2.194209850e+01 
2.08  1.714699819e+01 
2.10  1.327121153e+01 
2.12  1.013526667e+01 
2.14  7.594604554e+00 
2.16  5.532063214e+00 
2.18  3.855054609e+00 
2.20  2.489273147e+00 
2.22  1.374922898e+00 
2.24  4.639175735e-01 
2.26 -2.823655316e-01 
2.28 -8.949445159e-01 
2.30 -1.398734675e+00 
2.32 -1.813738150e+00 
2.34 -2.155994738e+00 
2.36 -2.438374522e+00 
2.38 -2.671234111e+00 
2.40 -2.862904474e+00 
2.42 -3.020098310e+00 
2.44 -3.148237308e+00 
2.46 -3.251716878e+00 
2.48 -3.334107356e+00 
2.50 -3.398326889e+00 
2.52 -3.446778606e+00 
2.54 -3.481456251e+00 
2.56 -3.504028101e+00 
2.58 -3.515903474e+00 
2.60 -3.518285291e+00 
2.62 -3.512211508e+00 
2.64 -3.498587675e+00 
2.66 -3.478212451e+00 
2.68 -3.451797538e+00 
2.70 -3.419942922e+00 
2.72 -3.383188005e+00 
2.74 -3.342062103e+00 
2.76 -3.297052109e+00 
2.78 -3.248608125e+00 
2.80 -3.197147754e+00 
2.82 -3.143011476e+00 
2.84 -3.086514524e+00 
2.86 -3.027986585e+00 
2.88 -2.967735329e+00 
2.90 -2.906047823e+00 
2.92 -2.843191732e+00 
2.94 -2.779416349e+00 
2.96 -2.714906099e+00 
2.98 -2.649827684e+00 
3.00 -2.584381508e+00 
3.02 -2.518753129e+00 
3.04 -2.453113918e+00 
3.06 -2.387621700e+00 
3.08 -2.322421373e+00 
3.10 -2.257645522e+00 
3.12 -2.193415012e+00 
3.14 -2.129839578e+00 
3.16 -2.067018401e+00 
3.18 -2.005040675e+00 
3.20 -1.943986164e+00 
3.22 -1.883925745e+00 
3.24 -1.824921937e+00 
3.26 -1.767029421e+00 
3.28 -1.710295538e+00 
3.30 -1.654703576e+00 
3.32 -1.600202112e+00 
3.34 -1.546822827e+00 
3.36 -1.494592955e+00 
3.38 -1.443534682e+00 
3.40 -1.393665521e+00 
3.42 -1.344998662e+00 
3.44 -1.297543311e+00 
3.46 -1.251294273e+00 
3.48 -1.206212529e+00 
3.50 -1.162293890e+00 
3.52 -1.119535650e+00 
3.54 -1.077932677e+00 
3.56 -1.037477643e+00 
3.58 -9.981612341e-01 
3.60 -9.599723520e-01 
3.62 -9.228983037e-01 
3.64 -8.869249752e-01 
3.66 -8.520369950e-01 
3.68 -8.182178868e-01 
3.70 -7.854502104e-01 
3.72 -7.537156930e-01 
3.74 -7.229953505e-01 
3.76 -6.932695997e-01 
3.78 -6.645183618e-01 
3.80 -6.367211573e-01 
3.82 -6.098571939e-01 
3.84 -5.839054460e-01 
3.86 -5.588447283e-01 
3.88 -5.346537627e-01 
3.90 -5.113112386e-01 
3.92 -4.887958685e-01 
3.94 -4.670864375e-01 
3.96 -4.461618483e-01 
3.98 -4.260011617e-01 
4.00 -4.065836325e-01 
4.02 -3.878887416e-01 
4.04 -3.698962249e-01 
4.06 -3.525860978e-01 
4.08 -3.359386773e-01 
4.10 -3.199346015e-01 
4.12 -3.045548455e-01 
4.14 -2.897807354e-01 
4.16 -2.755939602e-01 
4.18 -2.619765813e-01 
4.20 -2.489110402e-01 
4.22 -2.363801646e-01 
4.24 -2.243671728e-01 
4.26 -2.128556766e-01 
4.28 -2.018296832e-01 
4.30 -1.912735955e-01 
4.32 -1.811722119e-01 
4.34 -1.715107246e-01 
4.36 -1.622747171e-01 
4.38 -1.534501616e-01 
4.40 -1.450234148e-01 
4.42 -1.369812135e-01 
4.44 -1.293106702e-01 
4.46 -1.219992671e-01 
4.48 -1.150348506e-01 
4.50 -1.084056254e-01 
4.52 -1.021001476e-01 
4.54 -9.610731850e-02 
4.56 -9.041637729e-02 
4.58 -8.501689435e-02 
4.60 -7.989876389e-02 
4.62 -7.505219668e-02 
4.64 -7.046771276e-02 
4.66 -6.611727876e-02 
4.68 -6.196619246e-02 
4.70 -5.800748592e-02 
4.72 -5.423460980e-02 
4.74 -5.064121872e-02 
4.76 -4.722116634e-02 
4.78 -4.396850056e-02 
4.80 -4.087745800e-02 
4.82 -3.794245961e-02 
4.84 -3.515810624e-02 
4.86 -3.251917204e-02 
4.88 -3.002060096e-02 
4.90 -2.765750221e-02 
4.92 -2.542514559e-02 
4.94 -2.331895692e-02 
4.96 -2.133446388e-02 
4.98 -1.946702099e-02 
5.00 -1.771260325e-02 
5.02 -1.606741114e-02 
5.04 -1.452771974e-02 
5.06 -1.308988736e-02 
5.08 -1.175036210e-02 
5.10 -1.050568672e-02 
5.12 -9.352502067e-03 
5.14 -8.287549217e-03 
5.16 -7.307670635e-03 
5.18 -6.409810439e-03 
5.20 -5.591013948e-03 
5.22 -4.848426655e-03 
5.24 -4.179292710e-03 
5.26 -3.580953021e-03 
5.28 -3.050843053e-03 
5.30 -2.586490392e-03 
5.32 -2.185512135e-03 
5.34 -1.845612149e-03 
5.36 -1.564578050e-03 
5.38 -1.323939845e-03 
5.40 -1.106103742e-03 
5.42 -9.102573235e-04 
5.44 -7.356167267e-04 
5.46 -5.814258973e-04 
5.48 -4.469556544e-04 
5.50 -3.315027776e-04 
5.52 -2.343891167e-04 
5.54 -1.549607235e-04 
5.56 -9.258700908e-05 
5.58 -4.665992334e-05 
5.60 -1.659315977e-05 
5.62 -1.821384113e-06 
5.64  0.000000000e+00 
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