# 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 = Au2Pd
# 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  4.407528353e+06 
0.80  3.999154812e+06 
0.82  3.630146884e+06 
0.84  3.295901030e+06 
0.86  2.992453121e+06 
0.88  2.716386771e+06 
0.90  2.464768407e+06 
0.92  2.234979563e+06 
0.94  2.024726152e+06 
0.96  1.832013451e+06 
0.98  1.655067227e+06 
1.00  1.492325526e+06 
1.02  1.342432797e+06 
1.04  1.204182368e+06 
1.06  1.076495230e+06 
1.08  9.584136209e+05 
1.10  8.490529599e+05 
1.12  7.476487396e+05 
1.14  6.535203519e+05 
1.16  5.660465011e+05 
1.18  4.846670176e+05 
1.20  4.088810622e+05 
1.22  3.382255302e+05 
1.24  2.722791780e+05 
1.26  2.140802392e+05 
1.28  1.684819774e+05 
1.30  1.328230338e+05 
1.32  1.048752073e+05 
1.34  8.292313224e+04 
1.36  6.565267372e+04 
1.38  5.204221681e+04 
1.40  4.130017462e+04 
1.42  3.281060338e+04 
1.44  2.609146045e+04 
1.46  2.076703303e+04 
1.48  1.654306488e+04 
1.50  1.318785154e+04 
1.52  1.052013300e+04 
1.54  8.397261958e+03 
1.56  6.706416553e+03 
1.58  5.358379350e+03 
1.60  4.282605576e+03 
1.62  3.423657784e+03 
1.64  2.737469983e+03 
1.66  2.188923599e+03 
1.68  1.750277662e+03 
1.70  1.399461089e+03 
1.72  1.118860953e+03 
1.74  8.943958663e+02 
1.76  7.148107605e+02 
1.78  5.711411255e+02 
1.80  4.562039273e+02 
1.82  3.642359193e+02 
1.84  2.906622900e+02 
1.86  2.318189822e+02 
1.88  1.847689542e+02 
1.90  1.471564668e+02 
1.92  1.170936251e+02 
1.94  9.306994816e+01 
1.96  7.387558666e+01 
1.98  5.854118661e+01 
2.00  4.628957863e+01 
2.02  3.649542781e+01 
2.04  2.866371021e+01 
2.06  2.239892772e+01 
2.08  1.738454965e+01 
2.10  1.336745648e+01 
2.12  1.014541828e+01 
2.14  7.556866589e+00 
2.16  5.472492345e+00 
2.18  3.790192432e+00 
2.20  2.428371631e+00 
2.22  1.322322096e+00 
2.24  4.210324112e-01 
2.26 -3.160732215e-01 
2.28 -9.212286830e-01 
2.30 -1.420027419e+00 
2.32 -1.832769607e+00 
2.34 -2.175537533e+00 
2.36 -2.461067633e+00 
2.38 -2.699457227e+00 
2.40 -2.898712302e+00 
2.42 -3.065190042e+00 
2.44 -3.203951011e+00 
2.46 -3.319034163e+00 
2.48 -3.413678214e+00 
2.50 -3.490503953e+00 
2.52 -3.551650498e+00 
2.54 -3.598882303e+00 
2.56 -3.633672816e+00 
2.58 -3.657269597e+00 
2.60 -3.670744762e+00 
2.62 -3.675033831e+00 
2.64 -3.670965493e+00 
2.66 -3.659284237e+00 
2.68 -3.640667445e+00 
2.70 -3.615738205e+00 
2.72 -3.585074816e+00 
2.74 -3.549217797e+00 
2.76 -3.508674980e+00 
2.78 -3.463925204e+00 
2.80 -3.415420855e+00 
2.82 -3.363526078e+00 
2.84 -3.308549536e+00 
2.86 -3.250847707e+00 
2.88 -3.190771349e+00 
2.90 -3.128651694e+00 
2.92 -3.064800975e+00 
2.94 -2.999512907e+00 
2.96 -2.933020510e+00 
2.98 -2.865537893e+00 
3.00 -2.797306390e+00 
3.02 -2.728550905e+00 
3.04 -2.659480410e+00 
3.06 -2.590288454e+00 
3.08 -2.521153710e+00 
3.10 -2.452240539e+00 
3.12 -2.383699568e+00 
3.14 -2.315668286e+00 
3.16 -2.248271656e+00 
3.18 -2.181622721e+00 
3.20 -2.115823222e+00 
3.22 -2.050964207e+00 
3.24 -1.987126640e+00 
3.26 -1.924381997e+00 
3.28 -1.862792851e+00 
3.30 -1.802386905e+00 
3.32 -1.743170730e+00 
3.34 -1.685184834e+00 
3.36 -1.628463519e+00 
3.38 -1.573034908e+00 
3.40 -1.518921409e+00 
3.42 -1.466140156e+00 
3.44 -1.414703439e+00 
3.46 -1.364595560e+00 
3.48 -1.315730522e+00 
3.50 -1.268102198e+00 
3.52 -1.221710388e+00 
3.54 -1.176551981e+00 
3.56 -1.132621230e+00 
3.58 -1.089910000e+00 
3.60 -1.048408013e+00 
3.62 -1.008103066e+00 
3.64 -9.689812397e-01 
3.66 -9.310270945e-01 
3.68 -8.942238480e-01 
3.70 -8.585535437e-01 
3.72 -8.239972061e-01 
3.74 -7.905349836e-01 
3.76 -7.581462817e-01 
3.78 -7.268098842e-01 
3.80 -6.965040661e-01 
3.82 -6.672066962e-01 
3.84 -6.388953316e-01 
3.86 -6.115473041e-01 
3.88 -5.851397981e-01 
3.90 -5.596499225e-01 
3.92 -5.350547756e-01 
3.94 -5.113315031e-01 
3.96 -4.884573511e-01 
3.98 -4.664097137e-01 
4.00 -4.451661748e-01 
4.02 -4.247045463e-01 
4.04 -4.050029016e-01 
4.06 -3.860396047e-01 
4.08 -3.677933360e-01 
4.10 -3.502431153e-01 
4.12 -3.333683206e-01 
4.14 -3.171487049e-01 
4.16 -3.015644098e-01 
4.18 -2.865959772e-01 
4.20 -2.722243588e-01 
4.22 -2.584309227e-01 
4.24 -2.451974598e-01 
4.26 -2.325061868e-01 
4.28 -2.203397493e-01 
4.30 -2.086812222e-01 
4.32 -1.975141096e-01 
4.34 -1.868223438e-01 
4.36 -1.765902827e-01 
4.38 -1.668027067e-01 
4.40 -1.574448147e-01 
4.42 -1.485022195e-01 
4.44 -1.399609426e-01 
4.46 -1.318074083e-01 
4.48 -1.240284376e-01 
4.50 -1.166112415e-01 
4.52 -1.095434140e-01 
4.54 -1.028129246e-01 
4.56 -9.640811146e-02 
4.58 -9.031767294e-02 
4.60 -8.453066025e-02 
4.62 -7.903646931e-02 
4.64 -7.382483271e-02 
4.66 -6.888581170e-02 
4.68 -6.420978923e-02 
4.70 -5.978745885e-02 
4.72 -5.560981775e-02 
4.74 -5.166815961e-02 
4.76 -4.795406658e-02 
4.78 -4.445940123e-02 
4.80 -4.117629868e-02 
4.82 -3.809711588e-02 
4.84 -3.521412140e-02 
4.86 -3.252034201e-02 
4.88 -3.000819298e-02 
4.90 -2.764440930e-02 
4.92 -2.541156515e-02 
4.94 -2.330511141e-02 
4.96 -2.132063240e-02 
4.98 -1.945384599e-02 
5.00 -1.770060263e-02 
5.02 -1.605688416e-02 
5.04 -1.451880231e-02 
5.06 -1.308259655e-02 
5.08 -1.174463175e-02 
5.10 -1.050139548e-02 
5.12 -9.349495180e-03 
5.14 -8.285612600e-03 
5.16 -7.306525051e-03 
5.18 -6.409228609e-03 
5.20 -5.590817056e-03 
5.22 -4.848477343e-03 
5.24 -4.179488500e-03 
5.26 -3.581220231e-03 
5.28 -3.051131244e-03 
5.30 -2.586767374e-03 
5.32 -2.185759539e-03 
5.34 -1.845821574e-03 
5.36 -1.564747763e-03 
5.38 -1.324072069e-03 
5.40 -1.106202794e-03 
5.42 -9.103285192e-04 
5.44 -7.356656195e-04 
5.46 -5.814577623e-04 
5.48 -4.469751649e-04 
5.50 -3.315138316e-04 
5.52 -2.343947777e-04 
5.54 -1.549632461e-04 
5.56 -9.258792312e-05 
5.58 -4.666015800e-05 
5.60 -1.659318965e-05 
5.62 -1.821384474e-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