# 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 = AgAu2
# 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  5.740626640e+06 
0.80  5.194622096e+06 
0.82  4.701159314e+06 
0.84  4.254152822e+06 
0.86  3.848292332e+06 
0.88  3.478953480e+06 
0.90  3.142217752e+06 
0.92  2.834613682e+06 
0.94  2.553107088e+06 
0.96  2.295067832e+06 
0.98  2.058087841e+06 
1.00  1.840078193e+06 
1.02  1.639208583e+06 
1.04  1.453889752e+06 
1.06  1.282683765e+06 
1.08  1.124313678e+06 
1.10  9.775949839e+05 
1.12  8.415070333e+05 
1.14  7.151390160e+05 
1.16  5.976479011e+05 
1.18  4.882848878e+05 
1.20  3.906463607e+05 
1.22  3.083880025e+05 
1.24  2.429173303e+05 
1.26  1.917466914e+05 
1.28  1.516604127e+05 
1.30  1.201753013e+05 
1.32  9.539013777e+04 
1.34  7.583500465e+04 
1.36  6.037932817e+04 
1.38  4.814078607e+04 
1.40  3.843102934e+04 
1.42  3.071631026e+04 
1.44  2.457789161e+04 
1.46  1.968738507e+04 
1.48  1.578624000e+04 
1.50  1.267010405e+04 
1.52  1.017771086e+04 
1.54  8.182193453e+03 
1.56  6.582762431e+03 
1.58  5.299334768e+03 
1.60  4.268683368e+03 
1.62  3.440427920e+03 
1.64  2.774327039e+03 
1.66  2.238147415e+03 
1.68  1.806065289e+03 
1.70  1.457709936e+03 
1.72  1.176766017e+03 
1.74  9.501059590e+02 
1.76  7.671592161e+02 
1.78  6.194665837e+02 
1.80  5.002160078e+02 
1.82  4.039171148e+02 
1.84  3.261429577e+02 
1.86  2.633227466e+02 
1.88  2.125749866e+02 
1.90  1.715567974e+02 
1.92  1.383918048e+02 
1.94  1.115759183e+02 
1.96  8.989245905e+01 
1.98  7.235726638e+01 
2.00  5.817362018e+01 
2.02  4.669184985e+01 
2.04  3.739375652e+01 
2.06  2.986182951e+01 
2.08  2.375796367e+01 
2.10  1.880847452e+01 
2.12  1.479192867e+01 
2.14  1.152926019e+01 
2.16  8.875744062e+00 
2.18  6.714478255e+00 
2.20  4.950948354e+00 
2.22  3.509013000e+00 
2.24  2.327440891e+00 
2.26  1.356549798e+00 
2.28  5.566231135e-01 
2.30 -1.041283800e-01 
2.32 -6.513542206e-01 
2.34 -1.105739043e+00 
2.36 -1.483957431e+00 
2.38 -1.799449352e+00 
2.40 -2.063049196e+00 
2.42 -2.283495471e+00 
2.44 -2.467843147e+00 
2.46 -2.621784413e+00 
2.48 -2.749923418e+00 
2.50 -2.856008166e+00 
2.52 -2.943099952e+00 
2.54 -3.013711635e+00 
2.56 -3.069918534e+00 
2.58 -3.113447156e+00 
2.60 -3.145746010e+00 
2.62 -3.168041974e+00 
2.64 -3.181385042e+00 
2.66 -3.186683725e+00 
2.68 -3.184732979e+00 
2.70 -3.176236166e+00 
2.72 -3.161822256e+00 
2.74 -3.142059259e+00 
2.76 -3.117464675e+00 
2.78 -3.088513605e+00 
2.80 -3.055645020e+00 
2.82 -3.019264677e+00 
2.84 -2.979709493e+00 
2.86 -2.937314998e+00 
2.88 -2.892411789e+00 
2.90 -2.845310233e+00 
2.92 -2.796301849e+00 
2.94 -2.745660407e+00 
2.96 -2.693571640e+00 
2.98 -2.640150598e+00 
3.00 -2.585614538e+00 
3.02 -2.530170899e+00 
3.04 -2.474013615e+00 
3.06 -2.417323649e+00 
3.08 -2.360269506e+00 
3.10 -2.303007724e+00 
3.12 -2.245683360e+00 
3.14 -2.188430463e+00 
3.16 -2.131372547e+00 
3.18 -2.074623058e+00 
3.20 -2.018285838e+00 
3.22 -1.962455583e+00 
3.24 -1.907218301e+00 
3.26 -1.852651756e+00 
3.28 -1.798825911e+00 
3.30 -1.745803362e+00 
3.32 -1.693639763e+00 
3.34 -1.642384234e+00 
3.36 -1.592079771e+00 
3.38 -1.542763626e+00 
3.40 -1.494467694e+00 
3.42 -1.447218864e+00 
3.44 -1.401039381e+00 
3.46 -1.355920530e+00 
3.48 -1.311745831e+00 
3.50 -1.268507246e+00 
3.52 -1.226215978e+00 
3.54 -1.184880263e+00 
3.56 -1.144505603e+00 
3.58 -1.105094983e+00 
3.60 -1.066649080e+00 
3.62 -1.029166459e+00 
3.64 -9.926437544e-01 
3.66 -9.570758506e-01 
3.68 -9.224560400e-01 
3.70 -8.887761792e-01 
3.72 -8.560268328e-01 
3.74 -8.241974084e-01 
3.76 -7.932762822e-01 
3.78 -7.632509170e-01 
3.80 -7.341079714e-01 
3.82 -7.058334019e-01 
3.84 -6.784125573e-01 
3.86 -6.518302664e-01 
3.88 -6.260709187e-01 
3.90 -6.011185401e-01 
3.92 -5.769568611e-01 
3.94 -5.535693808e-01 
3.96 -5.309394249e-01 
3.98 -5.090501994e-01 
4.00 -4.878848395e-01 
4.02 -4.674264540e-01 
4.04 -4.476581659e-01 
4.06 -4.285631491e-01 
4.08 -4.101246618e-01 
4.10 -3.923260768e-01 
4.12 -3.751509077e-01 
4.14 -3.585828337e-01 
4.16 -3.426057210e-01 
4.18 -3.272036414e-01 
4.20 -3.123608894e-01 
4.22 -2.980619971e-01 
4.24 -2.842917465e-01 
4.26 -2.710351806e-01 
4.28 -2.582776128e-01 
4.30 -2.460046347e-01 
4.32 -2.342021224e-01 
4.34 -2.228562416e-01 
4.36 -2.119534516e-01 
4.38 -2.014805085e-01 
4.40 -1.914244664e-01 
4.42 -1.817726793e-01 
4.44 -1.725128006e-01 
4.46 -1.636327832e-01 
4.48 -1.551208780e-01 
4.50 -1.469656320e-01 
4.52 -1.391558867e-01 
4.54 -1.316807747e-01 
4.56 -1.245297170e-01 
4.58 -1.176924191e-01 
4.60 -1.111588674e-01 
4.62 -1.049193251e-01 
4.64 -9.896432753e-02 
4.66 -9.328467797e-02 
4.68 -8.787144248e-02 
4.70 -8.271594515e-02 
4.72 -7.780976303e-02 
4.74 -7.314472094e-02 
4.76 -6.871288626e-02 
4.78 -6.450656365e-02 
4.80 -6.051829049e-02 
4.82 -5.674082966e-02 
4.84 -5.316716484e-02 
4.86 -4.979049568e-02 
4.88 -4.660330566e-02 
4.90 -4.357253200e-02 
4.92 -4.068090352e-02 
4.94 -3.792397933e-02 
4.96 -3.529745000e-02 
4.98 -3.279713497e-02 
5.00 -3.041880135e-02 
5.02 -2.815839379e-02 
5.04 -2.601221296e-02 
5.06 -2.397665068e-02 
5.08 -2.204819054e-02 
5.10 -2.022340832e-02 
5.12 -1.849897207e-02 
5.14 -1.687155359e-02 
5.16 -1.533787843e-02 
5.18 -1.389498692e-02 
5.20 -1.253998869e-02 
5.22 -1.127005876e-02 
5.24 -1.008244055e-02 
5.26 -8.974448099e-03 
5.28 -7.943467577e-03 
5.30 -6.986958152e-03 
5.32 -6.102452367e-03 
5.34 -5.287556062e-03 
5.36 -4.539947936e-03 
5.38 -3.857378797e-03 
5.40 -3.237670555e-03 
5.42 -2.678715011e-03 
5.44 -2.178472480e-03 
5.46 -1.734970271e-03 
5.48 -1.346301075e-03 
5.50 -1.010621268e-03 
5.52 -7.261491582e-04 
5.54 -4.911632018e-04 
5.56 -3.040001938e-04 
5.58 -1.630534522e-04 
5.60 -6.677100855e-05 
5.62 -1.365380992e-05 
5.64  2.932126756e-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