# 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 = AgPt2
# 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  8.759777794e+06 
0.80  7.956579983e+06 
0.82  7.231331354e+06 
0.84  6.574930713e+06 
0.86  5.979550515e+06 
0.88  5.438387069e+06 
0.90  4.945530026e+06 
0.92  4.495839738e+06 
0.94  4.084792709e+06 
0.96  3.708436925e+06 
0.98  3.363259161e+06 
1.00  3.046194874e+06 
1.02  2.754524624e+06 
1.04  2.485845899e+06 
1.06  2.237993074e+06 
1.08  2.009070085e+06 
1.10  1.797361977e+06 
1.12  1.601336490e+06 
1.14  1.419634644e+06 
1.16  1.251016752e+06 
1.18  1.094371791e+06 
1.20  9.487181912e+05 
1.22  8.131657485e+05 
1.24  6.868994131e+05 
1.26  5.698244267e+05 
1.28  4.688598620e+05 
1.30  3.830344145e+05 
1.32  3.092442938e+05 
1.34  2.452536411e+05 
1.36  1.933264350e+05 
1.38  1.525929606e+05 
1.40  1.205886392e+05 
1.42  9.540584567e+04 
1.44  7.556135242e+04 
1.46  5.990193525e+04 
1.48  4.753015679e+04 
1.50  3.774453570e+04 
1.52  2.999583952e+04 
1.54  2.385415117e+04 
1.56  1.898151813e+04 
1.58  1.511181792e+04 
1.60  1.203593643e+04 
1.62  9.589013039e+03 
1.64  7.641401439e+03 
1.66  6.090474001e+03 
1.68  4.854808600e+03 
1.70  3.869979824e+03 
1.72  3.084869390e+03 
1.74  2.458830075e+03 
1.76  1.959505024e+03 
1.78  1.561216245e+03 
1.80  1.243515612e+03 
1.82  9.900805150e+02 
1.84  7.878935454e+02 
1.86  6.266221760e+02 
1.88  4.980172384e+02 
1.90  3.954869091e+02 
1.92  3.137680916e+02 
1.94  2.486576149e+02 
1.96  1.968008719e+02 
1.98  1.555179437e+02 
2.00  1.226666134e+02 
2.02  9.652709264e+01 
2.04  7.573591433e+01 
2.06  5.920718389e+01 
2.08  4.607333965e+01 
2.10  3.564161049e+01 
2.12  2.735893803e+01 
2.14  2.078459223e+01 
2.16  1.556715084e+01 
2.18  1.142593565e+01 
2.20  8.139089194e+00 
2.22  5.530281562e+00 
2.24  3.459334524e+00 
2.26  1.814943558e+00 
2.28  5.088503714e-01 
2.30 -5.288731768e-01 
2.32 -1.353571319e+00 
2.34 -2.008995195e+00 
2.36 -2.529686611e+00 
2.38 -2.942888503e+00 
2.40 -3.270084824e+00 
2.42 -3.528203070e+00 
2.44 -3.730578462e+00 
2.46 -3.887721103e+00 
2.48 -4.007912813e+00 
2.50 -4.097693261e+00 
2.52 -4.162247719e+00 
2.54 -4.205703531e+00 
2.56 -4.231363181e+00 
2.58 -4.241887033e+00 
2.60 -4.239436199e+00 
2.62 -4.225783850e+00 
2.64 -4.202401663e+00 
2.66 -4.170526686e+00 
2.68 -4.131212854e+00 
2.70 -4.085370521e+00 
2.72 -4.033780861e+00 
2.74 -3.977110392e+00 
2.76 -3.915988339e+00 
2.78 -3.850986100e+00 
2.80 -3.782625370e+00 
2.82 -3.711385516e+00 
2.84 -3.637694410e+00 
2.86 -3.561924015e+00 
2.88 -3.484452054e+00 
2.90 -3.405630774e+00 
2.92 -3.325786968e+00 
2.94 -3.245223505e+00 
2.96 -3.164174224e+00 
2.98 -3.082774939e+00 
3.00 -3.001254900e+00 
3.02 -2.919831004e+00 
3.04 -2.838702319e+00 
3.06 -2.758050867e+00 
3.08 -2.678042383e+00 
3.10 -2.598827074e+00 
3.12 -2.520540374e+00 
3.14 -2.443303694e+00 
3.16 -2.367225177e+00 
3.18 -2.292400436e+00 
3.20 -2.218913301e+00 
3.22 -2.146836543e+00 
3.24 -2.076232590e+00 
3.26 -2.007154223e+00 
3.28 -1.939645264e+00 
3.30 -1.873741227e+00 
3.32 -1.809462329e+00 
3.34 -1.746741675e+00 
3.36 -1.685572121e+00 
3.38 -1.625966501e+00 
3.40 -1.567932263e+00 
3.42 -1.511471943e+00 
3.44 -1.456583620e+00 
3.46 -1.403258423e+00 
3.48 -1.351443954e+00 
3.50 -1.301113920e+00 
3.52 -1.252253627e+00 
3.54 -1.204845919e+00 
3.56 -1.158871468e+00 
3.58 -1.114309045e+00 
3.60 -1.071135771e+00 
3.62 -1.029327344e+00 
3.64 -9.888582544e-01 
3.66 -9.497019792e-01 
3.68 -9.118311595e-01 
3.70 -8.752177644e-01 
3.72 -8.398332400e-01 
3.74 -8.056486442e-01 
3.76 -7.726347699e-01 
3.78 -7.407622555e-01 
3.80 -7.100016848e-01 
3.82 -6.803236768e-01 
3.84 -6.516989663e-01 
3.86 -6.240984750e-01 
3.88 -5.974933751e-01 
3.90 -5.718551455e-01 
3.92 -5.471556211e-01 
3.94 -5.233670355e-01 
3.96 -5.004620579e-01 
3.98 -4.784138258e-01 
4.00 -4.571959713e-01 
4.02 -4.367826440e-01 
4.04 -4.171485299e-01 
4.06 -3.982688663e-01 
4.08 -3.801194535e-01 
4.10 -3.626766637e-01 
4.12 -3.459174471e-01 
4.14 -3.298193358e-01 
4.16 -3.143604451e-01 
4.18 -2.995194736e-01 
4.20 -2.852757004e-01 
4.22 -2.716089826e-01 
4.24 -2.584997493e-01 
4.26 -2.459289962e-01 
4.28 -2.338782785e-01 
4.30 -2.223297025e-01 
4.32 -2.112659171e-01 
4.34 -2.006701043e-01 
4.36 -1.905259694e-01 
4.38 -1.808177301e-01 
4.40 -1.715301062e-01 
4.42 -1.626483083e-01 
4.44 -1.541580262e-01 
4.46 -1.460454177e-01 
4.48 -1.382970969e-01 
4.50 -1.309001224e-01 
4.52 -1.238419854e-01 
4.54 -1.171105985e-01 
4.56 -1.106942833e-01 
4.58 -1.045817596e-01 
4.60 -9.876213336e-02 
4.62 -9.322488543e-02 
4.64 -8.795986057e-02 
4.66 -8.295725621e-02 
4.68 -7.820761168e-02 
4.70 -7.369088187e-02 
4.72 -6.937163841e-02 
4.74 -6.524188595e-02 
4.76 -6.129521150e-02 
4.78 -5.752541082e-02 
4.80 -5.392648299e-02 
4.82 -5.049262247e-02 
4.84 -4.721821445e-02 
4.86 -4.409782946e-02 
4.88 -4.112610080e-02 
4.90 -3.829787671e-02 
4.92 -3.560834548e-02 
4.94 -3.305283382e-02 
4.96 -3.062680634e-02 
4.98 -2.832586501e-02 
5.00 -2.614552287e-02 
5.02 -2.408149862e-02 
5.04 -2.212994475e-02 
5.06 -2.028711193e-02 
5.08 -1.854935082e-02 
5.10 -1.691311353e-02 
5.12 -1.537495432e-02 
5.14 -1.393152972e-02 
5.16 -1.257959811e-02 
5.18 -1.131601884e-02 
5.20 -1.013775099e-02 
5.22 -9.041851858e-03 
5.24 -8.025475174e-03 
5.26 -7.085869114e-03 
5.28 -6.220374184e-03 
5.30 -5.426420956e-03 
5.32 -4.701527738e-03 
5.34 -4.043298165e-03 
5.36 -3.449418760e-03 
5.38 -2.917656467e-03 
5.40 -2.445856186e-03 
5.42 -2.030233148e-03 
5.44 -1.658772290e-03 
5.46 -1.328387536e-03 
5.48 -1.037766231e-03 
5.50 -7.856375000e-04 
5.52 -5.707710510e-04 
5.54 -3.919759844e-04 
5.56 -2.480996122e-04 
5.58 -1.380262933e-04 
5.60 -6.067628590e-05 
5.62 -1.500462154e-05 
5.64  3.868506616e-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