# 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 = AuPt2
# 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  8.232606355e+06 
0.80  7.482087873e+06 
0.82  6.804585122e+06 
0.84  6.191571731e+06 
0.86  5.635712896e+06 
0.88  5.130628031e+06 
0.90  4.670770662e+06 
0.92  4.251326998e+06 
0.94  3.868055016e+06 
0.96  3.517242675e+06 
0.98  3.195606299e+06 
1.00  2.900276151e+06 
1.02  2.628706012e+06 
1.04  2.378639945e+06 
1.06  2.148051214e+06 
1.08  1.935160888e+06 
1.10  1.738360238e+06 
1.12  1.556217640e+06 
1.14  1.387455671e+06 
1.16  1.230911293e+06 
1.18  1.085547983e+06 
1.20  9.504451036e+05 
1.22  8.247669377e+05 
1.24  7.077522262e+05 
1.26  5.987103961e+05 
1.28  4.970067105e+05 
1.30  4.033002450e+05 
1.32  3.242501659e+05 
1.34  2.581082788e+05 
1.36  2.028032542e+05 
1.38  1.591832212e+05 
1.40  1.250834375e+05 
1.42  9.838951031e+04 
1.44  7.746435486e+04 
1.46  6.104075002e+04 
1.48  4.813620133e+04 
1.50  3.798591121e+04 
1.52  2.999384146e+04 
1.54  2.369583268e+04 
1.56  1.872872946e+04 
1.58  1.480807707e+04 
1.60  1.171116308e+04 
1.62  9.263384448e+03 
1.64  7.327914568e+03 
1.66  5.796992289e+03 
1.68  4.585570892e+03 
1.70  3.626798661e+03 
1.72  2.867927130e+03 
1.74  2.267250723e+03 
1.76  1.791786356e+03 
1.78  1.415480722e+03 
1.80  1.117709542e+03 
1.82  8.821217819e+02 
1.84  6.957627037e+02 
1.86  5.484014127e+02 
1.88  4.319264675e+02 
1.90  3.398989499e+02 
1.92  2.672204249e+02 
1.94  2.098477639e+02 
1.96  1.645819455e+02 
1.98  1.288879662e+02 
2.00  1.007552234e+02 
2.02  7.858657230e+01 
2.04  6.112408181e+01 
2.06  4.737282942e+01 
2.08  3.654556103e+01 
2.10  2.801987872e+01 
2.12  2.130374017e+01 
2.14  1.600965609e+01 
2.16  1.183229987e+01 
2.18  8.530799589e+00 
2.20  5.916658087e+00 
2.22  3.841908578e+00 
2.24  2.190475710e+00 
2.26  8.714311697e-01 
2.28 -1.862653433e-01 
2.30 -1.038060752e+00 
2.32 -1.727185726e+00 
2.34 -2.287296605e+00 
2.36 -2.744558506e+00 
2.38 -3.119291296e+00 
2.40 -3.427280347e+00 
2.42 -3.680789879e+00 
2.44 -3.889360632e+00 
2.46 -4.060436356e+00 
2.48 -4.199839836e+00 
2.50 -4.312156855e+00 
2.52 -4.401032501e+00 
2.54 -4.469395604e+00 
2.56 -4.519631074e+00 
2.58 -4.553711563e+00 
2.60 -4.573297479e+00 
2.62 -4.579812463e+00 
2.64 -4.574499940e+00 
2.66 -4.558465145e+00 
2.68 -4.532706077e+00 
2.70 -4.498136044e+00 
2.72 -4.455586305e+00 
2.74 -4.405809924e+00 
2.76 -4.349541560e+00 
2.78 -4.287474486e+00 
2.80 -4.220262984e+00 
2.82 -4.148524969e+00 
2.84 -4.072830153e+00 
2.86 -3.993691488e+00 
2.88 -3.911620786e+00 
2.90 -3.827100223e+00 
2.92 -3.740581302e+00 
2.94 -3.652485509e+00 
2.96 -3.563134150e+00 
2.98 -3.472815174e+00 
3.00 -3.381861577e+00 
3.02 -3.290580404e+00 
3.04 -3.199253657e+00 
3.06 -3.108139269e+00 
3.08 -3.017472120e+00 
3.10 -2.927465094e+00 
3.12 -2.838310167e+00 
3.14 -2.750179506e+00 
3.16 -2.663226579e+00 
3.18 -2.577587263e+00 
3.20 -2.493380935e+00 
3.22 -2.410711559e+00 
3.24 -2.329668733e+00 
3.26 -2.250328716e+00 
3.28 -2.172755418e+00 
3.30 -2.097001354e+00 
3.32 -2.023101153e+00 
3.34 -1.951001898e+00 
3.36 -1.880705858e+00 
3.38 -1.812232487e+00 
3.40 -1.745594065e+00 
3.42 -1.680796361e+00 
3.44 -1.617839260e+00 
3.46 -1.556705610e+00 
3.48 -1.497340433e+00 
3.50 -1.439726106e+00 
3.52 -1.383845899e+00 
3.54 -1.329679849e+00 
3.56 -1.277205151e+00 
3.58 -1.226396518e+00 
3.60 -1.177226512e+00 
3.62 -1.129665848e+00 
3.64 -1.083683677e+00 
3.66 -1.039247838e+00 
3.68 -9.963250964e-01 
3.70 -9.548813539e-01 
3.72 -9.148818432e-01 
3.74 -8.762913039e-01 
3.76 -8.390741407e-01 
3.78 -8.031945667e-01 
3.80 -7.686167316e-01 
3.82 -7.353048366e-01 
3.84 -7.032232371e-01 
3.86 -6.723365337e-01 
3.88 -6.426096525e-01 
3.90 -6.140079160e-01 
3.92 -5.864971050e-01 
3.94 -5.600435121e-01 
3.96 -5.346139881e-01 
3.98 -5.101759815e-01 
4.00 -4.866975715e-01 
4.02 -4.641474960e-01 
4.04 -4.424951737e-01 
4.06 -4.217107224e-01 
4.08 -4.017649724e-01 
4.10 -3.826294769e-01 
4.12 -3.642765180e-01 
4.14 -3.466791110e-01 
4.16 -3.298110047e-01 
4.18 -3.136466802e-01 
4.20 -2.981613473e-01 
4.22 -2.833309386e-01 
4.24 -2.691321029e-01 
4.26 -2.555421962e-01 
4.28 -2.425392719e-01 
4.30 -2.301020699e-01 
4.32 -2.182100048e-01 
4.34 -2.068431531e-01 
4.36 -1.959822402e-01 
4.38 -1.856086261e-01 
4.40 -1.757042915e-01 
4.42 -1.662518231e-01 
4.44 -1.572343990e-01 
4.46 -1.486357730e-01 
4.48 -1.404402602e-01 
4.50 -1.326327215e-01 
4.52 -1.251985484e-01 
4.54 -1.181236481e-01 
4.56 -1.113944282e-01 
4.58 -1.049977822e-01 
4.60 -9.892107444e-02 
4.62 -9.315212573e-02 
4.64 -8.767919917e-02 
4.66 -8.249098595e-02 
4.68 -7.757659167e-02 
4.70 -7.291460091e-02 
4.72 -6.846827342e-02 
4.74 -6.422838212e-02 
4.76 -6.018734490e-02 
4.78 -5.633784804e-02 
4.80 -5.267283545e-02 
4.82 -4.918550178e-02 
4.84 -4.586928439e-02 
4.86 -4.271785548e-02 
4.88 -3.972498919e-02 
4.90 -3.688472258e-02 
4.92 -3.419148782e-02 
4.94 -3.163989504e-02 
4.96 -2.922472349e-02 
4.98 -2.694062874e-02 
5.00 -2.478270371e-02 
5.02 -2.274639212e-02 
5.04 -2.082726926e-02 
5.06 -1.902104367e-02 
5.08 -1.732355769e-02 
5.10 -1.573078725e-02 
5.12 -1.423884096e-02 
5.14 -1.284395860e-02 
5.16 -1.154250912e-02 
5.18 -1.033098830e-02 
5.20 -9.206016084e-03 
5.22 -8.164333680e-03 
5.24 -7.202800452e-03 
5.26 -6.318390706e-03 
5.28 -5.508190376e-03 
5.30 -4.769393639e-03 
5.32 -4.099299515e-03 
5.34 -3.495308451e-03 
5.36 -2.954918926e-03 
5.38 -2.475724086e-03 
5.40 -2.055408426e-03 
5.42 -1.689826812e-03 
5.44 -1.365580624e-03 
5.46 -1.079315620e-03 
5.48 -8.296740046e-04 
5.50 -6.153465877e-04 
5.52 -4.350711317e-04 
5.54 -2.876307277e-04 
5.56 -1.718522139e-04 
5.58 -8.660463414e-05 
5.60 -3.079773862e-05 
5.62 -3.380527519e-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