# 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 = AgPd2
# 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  3.614316097e+06 
0.80  3.280795891e+06 
0.82  2.979275421e+06 
0.84  2.705987552e+06 
0.86  2.457741254e+06 
0.88  2.231772109e+06 
0.90  2.025680536e+06 
0.92  1.837336833e+06 
0.94  1.664898600e+06 
0.96  1.506737001e+06 
0.98  1.361419078e+06 
1.00  1.227676464e+06 
1.02  1.104409907e+06 
1.04  9.906170322e+05 
1.06  8.854123978e+05 
1.08  7.880294892e+05 
1.10  6.977541945e+05 
1.12  6.139630987e+05 
1.14  5.361102347e+05 
1.16  4.636867193e+05 
1.18  3.962376617e+05 
1.20  3.333665402e+05 
1.22  2.753744418e+05 
1.24  2.231139858e+05 
1.26  1.771911575e+05 
1.28  1.407421967e+05 
1.30  1.120062437e+05 
1.32  8.929360737e+04 
1.34  7.129611915e+04 
1.36  5.701022126e+04 
1.38  4.565167848e+04 
1.40  3.660607802e+04 
1.42  2.939111737e+04 
1.44  2.362593623e+04 
1.46  1.901249217e+04 
1.48  1.531603174e+04 
1.50  1.235058858e+04 
1.52  9.968828669e+03 
1.54  8.053778018e+03 
1.56  6.512186447e+03 
1.58  5.269454713e+03 
1.60  4.266032735e+03 
1.62  3.455206323e+03 
1.64  2.799609175e+03 
1.66  2.269211009e+03 
1.68  1.839853804e+03 
1.70  1.492122806e+03 
1.72  1.210377865e+03 
1.74  9.819946158e+02 
1.76  7.967678319e+02 
1.78  6.464955570e+02 
1.80  5.245244279e+02 
1.82  4.254386260e+02 
1.84  3.449359171e+02 
1.86  2.795302133e+02 
1.88  2.263908924e+02 
1.90  1.832182218e+02 
1.92  1.481431666e+02 
1.94  1.196491084e+02 
1.96  9.650372943e+01 
1.98  7.770507534e+01 
2.00  6.243801809e+01 
2.02  5.003445944e+01 
2.04  3.995754597e+01 
2.06  3.177259707e+01 
2.08  2.512570955e+01 
2.10  1.972879502e+01 
2.12  1.534755957e+01 
2.14  1.179097602e+01 
2.16  8.902191890e+00 
2.18  6.556344209e+00 
2.20  4.652106785e+00 
2.22  3.106959251e+00 
2.24  1.853741428e+00 
2.26  8.378566877e-01 
2.28  1.494769651e-02 
2.30 -6.510355928e-01 
2.32 -1.189354000e+00 
2.34 -1.623721787e+00 
2.36 -1.973353683e+00 
2.38 -2.253837587e+00 
2.40 -2.477798851e+00 
2.42 -2.655460951e+00 
2.44 -2.795102308e+00 
2.46 -2.903428896e+00 
2.48 -2.985867920e+00 
2.50 -3.046818512e+00 
2.52 -3.089857711e+00 
2.54 -3.117900033e+00 
2.56 -3.133326611e+00 
2.58 -3.138089566e+00 
2.60 -3.133796224e+00 
2.62 -3.121776928e+00 
2.64 -3.103139551e+00 
2.66 -3.078813221e+00 
2.68 -3.049583309e+00 
2.70 -3.016075364e+00 
2.72 -2.978820613e+00 
2.74 -2.938318329e+00 
2.76 -2.895006321e+00 
2.78 -2.849272041e+00 
2.80 -2.801461250e+00 
2.82 -2.751828352e+00 
2.84 -2.700606229e+00 
2.86 -2.648050503e+00 
2.88 -2.594394846e+00 
2.90 -2.539853635e+00 
2.92 -2.484624102e+00 
2.94 -2.428888064e+00 
2.96 -2.372783419e+00 
2.98 -2.316387400e+00 
3.00 -2.259840158e+00 
3.02 -2.203275213e+00 
3.04 -2.146816037e+00 
3.06 -2.090576632e+00 
3.08 -2.034662046e+00 
3.10 -1.979168842e+00 
3.12 -1.924185518e+00 
3.14 -1.869792908e+00 
3.16 -1.816064558e+00 
3.18 -1.763067086e+00 
3.20 -1.710860525e+00 
3.22 -1.659498665e+00 
3.24 -1.609029375e+00 
3.26 -1.559494925e+00 
3.28 -1.510932297e+00 
3.30 -1.463315156e+00 
3.32 -1.416583893e+00 
3.34 -1.370765463e+00 
3.36 -1.325883717e+00 
3.38 -1.281958642e+00 
3.40 -1.239006609e+00 
3.42 -1.197040607e+00 
3.44 -1.156070477e+00 
3.46 -1.116100459e+00 
3.48 -1.077095382e+00 
3.50 -1.039044306e+00 
3.52 -1.001947262e+00 
3.54 -9.658022700e-01 
3.56 -9.306055093e-01 
3.58 -8.963514787e-01 
3.60 -8.630331498e-01 
3.62 -8.306421112e-01 
3.64 -7.991687040e-01 
3.66 -7.686021500e-01 
3.68 -7.389306718e-01 
3.70 -7.101416050e-01 
3.72 -6.822215042e-01 
3.74 -6.551562405e-01 
3.76 -6.289310938e-01 
3.78 -6.035308379e-01 
3.80 -5.789398192e-01 
3.82 -5.551420307e-01 
3.84 -5.321211794e-01 
3.86 -5.098607489e-01 
3.88 -4.883440570e-01 
3.90 -4.675543085e-01 
3.92 -4.474746437e-01 
3.94 -4.280881829e-01 
3.96 -4.093780660e-01 
3.98 -3.913274901e-01 
4.00 -3.739197420e-01 
4.02 -3.571382282e-01 
4.04 -3.409665023e-01 
4.06 -3.253882886e-01 
4.08 -3.103875036e-01 
4.10 -2.959482755e-01 
4.12 -2.820549603e-01 
4.14 -2.686921571e-01 
4.16 -2.558447202e-01 
4.18 -2.434977705e-01 
4.20 -2.316367043e-01 
4.22 -2.202472015e-01 
4.24 -2.093152314e-01 
4.26 -1.988270581e-01 
4.28 -1.887692442e-01 
4.30 -1.791286535e-01 
4.32 -1.698924528e-01 
4.34 -1.610481128e-01 
4.36 -1.525834081e-01 
4.38 -1.444864167e-01 
4.40 -1.367455184e-01 
4.42 -1.293493931e-01 
4.44 -1.222870183e-01 
4.46 -1.155476658e-01 
4.48 -1.091208989e-01 
4.50 -1.029965683e-01 
4.52 -9.716480808e-02 
4.54 -9.161603151e-02 
4.56 -8.634092618e-02 
4.58 -8.133044938e-02 
4.60 -7.657582306e-02 
4.62 -7.206852867e-02 
4.64 -6.780030190e-02 
4.66 -6.374427921e-02 
4.68 -5.986687963e-02 
4.70 -5.616219670e-02 
4.72 -5.262469520e-02 
4.74 -4.924899837e-02 
4.76 -4.602988485e-02 
4.78 -4.296228545e-02 
4.80 -4.004128010e-02 
4.82 -3.726209426e-02 
4.84 -3.462009632e-02 
4.86 -3.211079229e-02 
4.88 -2.972982403e-02 
4.90 -2.747296614e-02 
4.92 -2.533612268e-02 
4.94 -2.331532386e-02 
4.96 -2.140667867e-02 
4.98 -1.960621499e-02 
5.00 -1.791035611e-02 
5.02 -1.631568465e-02 
5.04 -1.481895539e-02 
5.06 -1.341698421e-02 
5.08 -1.210665506e-02 
5.10 -1.088492547e-02 
5.12 -9.748830635e-03 
5.14 -8.695486268e-03 
5.16 -7.722090473e-03 
5.18 -6.825924764e-03 
5.20 -6.004354357e-03 
5.22 -5.254827882e-03 
5.24 -4.574876608e-03 
5.26 -3.962113262e-03 
5.28 -3.414230541e-03 
5.30 -2.928999365e-03 
5.32 -2.504266933e-03 
5.34 -2.137954636e-03 
5.36 -1.828055677e-03 
5.38 -1.558110123e-03 
5.40 -1.312434470e-03 
5.42 -1.090259539e-03 
5.44 -8.908398768e-04 
5.46 -7.134532952e-04 
5.48 -5.574002289e-04 
5.50 -4.220030946e-04 
5.52 -3.066056576e-04 
5.54 -2.105724073e-04 
5.56 -1.332879401e-04 
5.58 -7.415635446e-05 
5.60 -3.260065592e-05 
5.62 -8.062175465e-06 
5.64  2.078688710e-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