# 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 = Au2Cu
# 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  4.402269973e+06 
0.80  3.976955387e+06 
0.82  3.592649991e+06 
0.84  3.244623209e+06 
0.86  2.928717937e+06 
0.88  2.641323626e+06 
0.90  2.379361918e+06 
0.92  2.140133481e+06 
0.94  1.921253157e+06 
0.96  1.720666213e+06 
0.98  1.536492560e+06 
1.00  1.367118869e+06 
1.02  1.211115243e+06 
1.04  1.067229587e+06 
1.06  9.343532293e+05 
1.08  8.114850499e+05 
1.10  6.977156686e+05 
1.12  5.922565488e+05 
1.14  4.943835404e+05 
1.16  4.034271109e+05 
1.18  3.205581755e+05 
1.20  2.518868756e+05 
1.22  1.969365281e+05 
1.24  1.542711157e+05 
1.26  1.210728291e+05 
1.28  9.518687091e+04 
1.30  7.495905587e+04 
1.32  5.912124997e+04 
1.34  4.669523284e+04 
1.36  3.693007719e+04 
1.38  2.924241027e+04 
1.40  2.317980632e+04 
1.42  1.839265624e+04 
1.44  1.460796075e+04 
1.46  1.161244727e+04 
1.48  9.238422620e+03 
1.50  7.354468004e+03 
1.52  5.857990799e+03 
1.54  4.668369375e+03 
1.56  3.721855295e+03 
1.58  2.968220095e+03 
1.60  2.367865441e+03 
1.62  1.889405561e+03 
1.64  1.507904954e+03 
1.66  1.203519394e+03 
1.68  9.604868041e+02 
1.70  7.663852154e+02 
1.72  6.113645269e+02 
1.74  4.875556103e+02 
1.76  3.886733207e+02 
1.78  3.096933946e+02 
1.80  2.466070062e+02 
1.82  1.962290439e+02 
1.84  1.560104423e+02 
1.86  1.239111627e+02 
1.88  9.829851677e+01 
1.90  7.786090890e+01 
1.92  6.155419729e+01 
1.94  4.854607075e+01 
1.96  3.817045829e+01 
1.98  2.989456972e+01 
2.00  2.329106343e+01 
2.02  1.801842770e+01 
2.04  1.380665402e+01 
2.06  1.044018957e+01 
2.08  7.746864693e+00 
2.10  5.589309785e+00 
2.12  3.858047042e+00 
2.14  2.465932645e+00 
2.16  1.343685429e+00 
2.18  4.362362705e-01 
2.20 -3.000737322e-01 
2.22 -8.997104634e-01 
2.24 -1.389855272e+00 
2.26 -1.792037478e+00 
2.28 -2.123214885e+00 
2.30 -2.396773140e+00 
2.32 -2.623296191e+00 
2.34 -2.811151235e+00 
2.36 -2.966956019e+00 
2.38 -3.095951366e+00 
2.40 -3.202297439e+00 
2.42 -3.289308755e+00 
2.44 -3.359639924e+00 
2.46 -3.415418013e+00 
2.48 -3.458373320e+00 
2.50 -3.489936947e+00 
2.52 -3.511302528e+00 
2.54 -3.523480520e+00 
2.56 -3.527340107e+00 
2.58 -3.523641341e+00 
2.60 -3.513059621e+00 
2.62 -3.496143337e+00 
2.64 -3.473370047e+00 
2.66 -3.445240716e+00 
2.68 -3.412222874e+00 
2.70 -3.374756071e+00 
2.72 -3.333255844e+00 
2.74 -3.288116506e+00 
2.76 -3.239713082e+00 
2.78 -3.188402616e+00 
2.80 -3.134525039e+00 
2.82 -3.078401521e+00 
2.84 -3.020289899e+00 
2.86 -2.960459252e+00 
2.88 -2.899183056e+00 
2.90 -2.836719730e+00 
2.92 -2.773312803e+00 
2.94 -2.709191103e+00 
2.96 -2.644526236e+00 
2.98 -2.579473620e+00 
3.00 -2.514218850e+00 
3.02 -2.448934127e+00 
3.04 -2.383778685e+00 
3.06 -2.318888440e+00 
3.08 -2.254337570e+00 
3.10 -2.190238951e+00 
3.12 -2.126703829e+00 
3.14 -2.063833135e+00 
3.16 -2.001718007e+00 
3.18 -1.940440311e+00 
3.20 -1.880073156e+00 
3.22 -1.820681400e+00 
3.24 -1.762322145e+00 
3.26 -1.705045222e+00 
3.28 -1.648893661e+00 
3.30 -1.593904142e+00 
3.32 -1.540107439e+00 
3.34 -1.487528838e+00 
3.36 -1.436188540e+00 
3.38 -1.386102052e+00 
3.40 -1.337280552e+00 
3.42 -1.289731238e+00 
3.44 -1.243457664e+00 
3.46 -1.198434545e+00 
3.48 -1.154562338e+00 
3.50 -1.111829911e+00 
3.52 -1.070233597e+00 
3.54 -1.029767501e+00 
3.56 -9.904237091e-01 
3.58 -9.521924849e-01 
3.60 -9.150624563e-01 
3.62 -8.790207877e-01 
3.64 -8.440533420e-01 
3.66 -8.101448320e-01 
3.68 -7.772789604e-01 
3.70 -7.454385509e-01 
3.72 -7.146056690e-01 
3.74 -6.847617340e-01 
3.76 -6.558876234e-01 
3.78 -6.279637675e-01 
3.80 -6.009702382e-01 
3.82 -5.748868292e-01 
3.84 -5.496931306e-01 
3.86 -5.253685963e-01 
3.88 -5.018926057e-01 
3.90 -4.792445202e-01 
3.92 -4.574037341e-01 
3.94 -4.363497205e-01 
3.96 -4.160620733e-01 
3.98 -3.965205440e-01 
4.00 -3.777050758e-01 
4.02 -3.595958329e-01 
4.04 -3.421732268e-01 
4.06 -3.254179400e-01 
4.08 -3.093109460e-01 
4.10 -2.938335272e-01 
4.12 -2.789672897e-01 
4.14 -2.646941767e-01 
4.16 -2.509964793e-01 
4.18 -2.378568449e-01 
4.20 -2.252582851e-01 
4.22 -2.131841807e-01 
4.24 -2.016182862e-01 
4.26 -1.905447324e-01 
4.28 -1.799480280e-01 
4.30 -1.698130601e-01 
4.32 -1.601250936e-01 
4.34 -1.508697700e-01 
4.36 -1.420331052e-01 
4.38 -1.336014863e-01 
4.40 -1.255616684e-01 
4.42 -1.179007702e-01 
4.44 -1.106062698e-01 
4.46 -1.036660003e-01 
4.48 -9.706814292e-02 
4.50 -9.080121974e-02 
4.52 -8.485409014e-02 
4.54 -7.921594460e-02 
4.56 -7.387629814e-02 
4.58 -6.882489054e-02 
4.60 -6.405124534e-02 
4.62 -5.954610731e-02 
4.64 -5.530058288e-02 
4.66 -5.130593469e-02 
4.68 -4.755360714e-02 
4.70 -4.403524598e-02 
4.72 -4.074271286e-02 
4.74 -3.766809562e-02 
4.76 -3.480371511e-02 
4.78 -3.214212892e-02 
4.80 -2.967613278e-02 
4.82 -2.739875987e-02 
4.84 -2.530327852e-02 
4.86 -2.338318856e-02 
4.88 -2.163128597e-02 
4.90 -2.001474088e-02 
4.92 -1.851662661e-02 
4.94 -1.713290871e-02 
4.96 -1.585968563e-02 
4.98 -1.469318545e-02 
5.00 -1.360731070e-02 
5.02 -1.257711528e-02 
5.04 -1.160069339e-02 
5.06 -1.067620093e-02 
5.08 -9.801853541e-03 
5.10 -8.975924936e-03 
5.12 -8.196745203e-03 
5.14 -7.462621836e-03 
5.16 -6.771882470e-03 
5.18 -6.123102925e-03 
5.20 -5.514891493e-03 
5.22 -4.945885089e-03 
5.24 -4.414751726e-03 
5.26 -3.920192397e-03 
5.28 -3.460942464e-03 
5.30 -3.035772616e-03 
5.32 -2.643489474e-03 
5.34 -2.282935878e-03 
5.36 -1.952990931e-03 
5.38 -1.652569810e-03 
5.40 -1.380623413e-03 
5.42 -1.136137854e-03 
5.44 -9.181338330e-04 
5.46 -7.256659165e-04 
5.48 -5.578217423e-04 
5.50 -4.137211637e-04 
5.52 -2.925153518e-04 
5.54 -1.933858688e-04 
5.56 -1.155437215e-04 
5.58 -5.822840405e-05 
5.60 -2.070694026e-05 
5.62 -2.272928358e-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