# 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 = Au2Pt
# 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  6.953981331e+06 
0.80  6.315565064e+06 
0.82  5.739010230e+06 
0.84  5.217109672e+06 
0.86  4.743619922e+06 
0.88  4.313127016e+06 
0.90  3.920987336e+06 
0.92  3.563113488e+06 
0.94  3.235896354e+06 
0.96  2.936205761e+06 
0.98  2.661243780e+06 
1.00  2.408566341e+06 
1.02  2.176019925e+06 
1.04  1.961716368e+06 
1.06  1.763954484e+06 
1.08  1.581221489e+06 
1.10  1.412142609e+06 
1.12  1.255509073e+06 
1.14  1.110239568e+06 
1.16  9.753570431e+05 
1.18  8.499837989e+05 
1.20  7.333324352e+05 
1.22  6.246828608e+05 
1.24  5.233943092e+05 
1.26  4.295774666e+05 
1.28  3.460743373e+05 
1.30  2.728346847e+05 
1.32  2.145515167e+05 
1.34  1.689535710e+05 
1.36  1.332204642e+05 
1.38  1.051700863e+05 
1.40  8.311649736e+04 
1.42  6.575435171e+04 
1.44  5.206776052e+04 
1.46  4.126541551e+04 
1.48  3.272997791e+04 
1.50  2.597760589e+04 
1.52  2.063041626e+04 
1.54  1.639253952e+04 
1.56  1.303101739e+04 
1.58  1.036249864e+04 
1.60  8.242793806e+03 
1.62  6.558012620e+03 
1.64  5.218251936e+03 
1.66  4.152226832e+03 
1.68  3.303686002e+03 
1.70  2.628167898e+03 
1.72  2.090369338e+03 
1.74  1.662197726e+03 
1.76  1.321298726e+03 
1.78  1.049925733e+03 
1.80  8.339440265e+02 
1.82  6.620815718e+02 
1.84  5.253541000e+02 
1.86  4.166187490e+02 
1.88  3.301789859e+02 
1.90  2.614841785e+02 
1.92  2.069123736e+02 
1.94  1.635769299e+02 
1.96  1.291793136e+02 
1.98  1.018875897e+02 
2.00  8.024042108e+01 
2.02  6.306937986e+01 
2.04  4.945118001e+01 
2.06  3.865158111e+01 
2.08  3.008612882e+01 
2.10  2.329002947e+01 
2.12  1.789402615e+01 
2.14  1.360508518e+01 
2.16  1.019086458e+01 
2.18  7.467220724e+00 
2.20  5.288535973e+00 
2.22  3.540150114e+00 
2.24  2.132152267e+00 
2.26  9.935590532e-01 
2.28  6.857206361e-02 
2.30 -6.866398673e-01 
2.32 -1.306502818e+00 
2.34 -1.818016594e+00 
2.36 -2.242330256e+00 
2.38 -2.595992239e+00 
2.40 -2.891948700e+00 
2.42 -3.140332292e+00 
2.44 -3.349083335e+00 
2.46 -3.524435009e+00 
2.48 -3.671297093e+00 
2.50 -3.793565365e+00 
2.52 -3.894355787e+00 
2.54 -3.976186343e+00 
2.56 -4.041117897e+00 
2.58 -4.090862751e+00 
2.60 -4.126867835e+00 
2.62 -4.150378058e+00 
2.64 -4.162484204e+00 
2.66 -4.164158841e+00 
2.68 -4.156283002e+00 
2.70 -4.139665788e+00 
2.72 -4.115058605e+00 
2.74 -4.083165354e+00 
2.76 -4.044649598e+00 
2.78 -4.000139529e+00 
2.80 -3.950231319e+00 
2.82 -3.895489596e+00 
2.84 -3.836396340e+00 
2.86 -3.773398804e+00 
2.88 -3.706971714e+00 
2.90 -3.637566473e+00 
2.92 -3.565609453e+00 
2.94 -3.491502323e+00 
2.96 -3.415567219e+00 
2.98 -3.338097392e+00 
3.00 -3.259418589e+00 
3.02 -3.179834216e+00 
3.04 -3.099625939e+00 
3.06 -3.019054359e+00 
3.08 -2.938359722e+00 
3.10 -2.857762694e+00 
3.12 -2.777465159e+00 
3.14 -2.697651047e+00 
3.16 -2.618487195e+00 
3.18 -2.540124202e+00 
3.20 -2.462697307e+00 
3.22 -2.386327250e+00 
3.24 -2.311121135e+00 
3.26 -2.237173276e+00 
3.28 -2.164566023e+00 
3.30 -2.093370570e+00 
3.32 -2.023644562e+00 
3.34 -1.955402385e+00 
3.36 -1.888676545e+00 
3.38 -1.823502145e+00 
3.40 -1.759906835e+00 
3.42 -1.697911420e+00 
3.44 -1.637530448e+00 
3.46 -1.578748165e+00 
3.48 -1.521474634e+00 
3.50 -1.465702741e+00 
3.52 -1.411430816e+00 
3.54 -1.358653485e+00 
3.56 -1.307362035e+00 
3.58 -1.257544763e+00 
3.60 -1.209187289e+00 
3.62 -1.162272859e+00 
3.64 -1.116782617e+00 
3.66 -1.072695865e+00 
3.68 -1.029990295e+00 
3.70 -9.886422142e-01 
3.72 -9.486267398e-01 
3.74 -9.099179883e-01 
3.76 -8.724892439e-01 
3.78 -8.363131143e-01 
3.80 -8.013616727e-01 
3.82 -7.676065874e-01 
3.84 -7.350192397e-01 
3.86 -7.035708304e-01 
3.88 -6.732324764e-01 
3.90 -6.439752981e-01 
3.92 -6.157704971e-01 
3.94 -5.885894270e-01 
3.96 -5.624036553e-01 
3.98 -5.371850192e-01 
4.00 -5.129056748e-01 
4.02 -4.895381401e-01 
4.04 -4.670553330e-01 
4.06 -4.454306033e-01 
4.08 -4.246377619e-01 
4.10 -4.046511034e-01 
4.12 -3.854454274e-01 
4.14 -3.669960542e-01 
4.16 -3.492788383e-01 
4.18 -3.322701791e-01 
4.20 -3.159470287e-01 
4.22 -3.002868972e-01 
4.24 -2.852678559e-01 
4.26 -2.708685390e-01 
4.28 -2.570681431e-01 
4.30 -2.438464254e-01 
4.32 -2.311837000e-01 
4.34 -2.190608342e-01 
4.36 -2.074592421e-01 
4.38 -1.963608785e-01 
4.40 -1.857482317e-01 
4.42 -1.756043150e-01 
4.44 -1.659126582e-01 
4.46 -1.566572985e-01 
4.48 -1.478227704e-01 
4.50 -1.393940964e-01 
4.52 -1.313567756e-01 
4.54 -1.236967743e-01 
4.56 -1.164005142e-01 
4.58 -1.094548634e-01 
4.60 -1.028471218e-01 
4.62 -9.656501199e-02 
4.64 -9.059666857e-02 
4.66 -8.493062720e-02 
4.68 -7.955581351e-02 
4.70 -7.446153217e-02 
4.72 -6.963743401e-02 
4.74 -6.507318372e-02 
4.76 -6.075922077e-02 
4.78 -5.668644907e-02 
4.80 -5.284603681e-02 
4.82 -4.922942107e-02 
4.84 -4.582830994e-02 
4.86 -4.263468238e-02 
4.88 -3.963985535e-02 
4.90 -3.680954871e-02 
4.92 -3.412543556e-02 
4.94 -3.158214206e-02 
4.96 -2.917448225e-02 
4.98 -2.689745326e-02 
5.00 -2.474622860e-02 
5.02 -2.271615316e-02 
5.04 -2.080273845e-02 
5.06 -1.900165727e-02 
5.08 -1.730873857e-02 
5.10 -1.571996226e-02 
5.12 -1.423145427e-02 
5.14 -1.283936146e-02 
5.16 -1.153991566e-02 
5.18 -1.032978566e-02 
5.20 -9.205740024e-03 
5.22 -8.164639044e-03 
5.24 -7.203436527e-03 
5.26 -6.319180778e-03 
5.28 -5.509014880e-03 
5.30 -4.770176376e-03 
5.32 -4.099996464e-03 
5.34 -3.495898792e-03 
5.36 -2.955397910e-03 
5.38 -2.476097461e-03 
5.40 -2.055688158e-03 
5.42 -1.690027875e-03 
5.44 -1.365718701e-03 
5.46 -1.079405610e-03 
5.48 -8.297291041e-04 
5.50 -6.153778052e-04 
5.52 -4.350871191e-04 
5.54 -2.876378517e-04 
5.56 -1.718547952e-04 
5.58 -8.660529684e-05 
5.60 -3.079782302e-05 
5.62 -3.380528539e-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