# 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 = CuPd2
# 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  2.235833090e+06 
0.80  2.026463081e+06 
0.82  1.837228659e+06 
0.84  1.665781723e+06 
0.86  1.510116138e+06 
0.88  1.368459228e+06 
0.90  1.239290984e+06 
0.92  1.121285357e+06 
0.94  1.013272448e+06 
0.96  9.142234497e+05 
0.98  8.232496444e+05 
1.00  7.395610340e+05 
1.02  6.624670273e+05 
1.04  5.913246107e+05 
1.06  5.255774113e+05 
1.08  4.647460883e+05 
1.10  4.083841952e+05 
1.12  3.561037442e+05 
1.14  3.075575541e+05 
1.16  2.624198866e+05 
1.18  2.203984755e+05 
1.20  1.814175145e+05 
1.22  1.468266818e+05 
1.24  1.163938908e+05 
1.26  9.175487681e+04 
1.28  7.246133319e+04 
1.30  5.732377937e+04 
1.32  4.542047512e+04 
1.34  3.604100002e+04 
1.36  2.863808620e+04 
1.38  2.278537111e+04 
1.40  1.815030562e+04 
1.42  1.447432595e+04 
1.44  1.155440645e+04 
1.46  9.232070231e+03 
1.48  7.382816432e+03 
1.50  5.908577907e+03 
1.52  4.732196269e+03 
1.54  3.792592630e+03 
1.56  3.041333879e+03 
1.58  2.440073590e+03 
1.60  1.958212267e+03 
1.62  1.571820540e+03 
1.64  1.261858664e+03 
1.66  1.013112715e+03 
1.68  8.134152129e+02 
1.70  6.530470981e+02 
1.72  5.242364916e+02 
1.74  4.207556784e+02 
1.76  3.376117083e+02 
1.78  2.707763266e+02 
1.80  2.170162475e+02 
1.82  1.737501450e+02 
1.84  1.389363052e+02 
1.86  1.109311646e+02 
1.88  8.840957425e+01 
1.90  7.030309103e+01 
1.92  5.574956489e+01 
1.94  4.405517101e+01 
1.96  3.466102482e+01 
1.98  2.711666811e+01 
2.00  2.105905059e+01 
2.02  1.619595487e+01 
2.04  1.229226398e+01 
2.06  9.158787287e+00 
2.08  6.643387111e+00 
2.10  4.623831165e+00 
2.12  3.002038637e+00 
2.14  1.699172279e+00 
2.16  6.516331872e-01 
2.18 -1.908588158e-01 
2.20 -8.684191402e-01 
2.22 -1.413175573e+00 
2.24 -1.850897095e+00 
2.26 -2.202232745e+00 
2.28 -2.483714776e+00 
2.30 -2.708570099e+00 
2.32 -2.887375932e+00 
2.34 -3.028566219e+00 
2.36 -3.138874552e+00 
2.38 -3.223709781e+00 
2.40 -3.287405339e+00 
2.42 -3.333440116e+00 
2.44 -3.364615305e+00 
2.46 -3.383195649e+00 
2.48 -3.391021978e+00 
2.50 -3.389600641e+00 
2.52 -3.380174377e+00 
2.54 -3.363778293e+00 
2.56 -3.341283942e+00 
2.58 -3.313433895e+00 
2.60 -3.280868759e+00 
2.62 -3.244073816e+00 
2.64 -3.203455388e+00 
2.66 -3.159452028e+00 
2.68 -3.112460704e+00 
2.70 -3.062796069e+00 
2.72 -3.010743507e+00 
2.74 -2.956611940e+00 
2.76 -2.900689352e+00 
2.78 -2.843245151e+00 
2.80 -2.784531830e+00 
2.82 -2.724725534e+00 
2.84 -2.663996159e+00 
2.86 -2.602550966e+00 
2.88 -2.540583727e+00 
2.90 -2.478275381e+00 
2.92 -2.415794590e+00 
2.94 -2.353298238e+00 
2.96 -2.290931894e+00 
2.98 -2.228830240e+00 
3.00 -2.167117496e+00 
3.02 -2.105907822e+00 
3.04 -2.045305727e+00 
3.06 -1.985395894e+00 
3.08 -1.926205333e+00 
3.10 -1.867801643e+00 
3.12 -1.810253611e+00 
3.14 -1.753622629e+00 
3.16 -1.697963105e+00 
3.18 -1.643322864e+00 
3.20 -1.589743544e+00 
3.22 -1.537260978e+00 
3.24 -1.485905564e+00 
3.26 -1.435702624e+00 
3.28 -1.386672755e+00 
3.30 -1.338771049e+00 
3.32 -1.291918885e+00 
3.34 -1.246129324e+00 
3.36 -1.201412975e+00 
3.38 -1.157777197e+00 
3.40 -1.115226342e+00 
3.42 -1.073761998e+00 
3.44 -1.033383215e+00 
3.46 -9.940867157e-01 
3.48 -9.558671053e-01 
3.50 -9.187170612e-01 
3.52 -8.826275166e-01 
3.54 -8.475878325e-01 
3.56 -8.135859588e-01 
3.58 -7.806085867e-01 
3.60 -7.486412905e-01 
3.62 -7.176686604e-01 
3.64 -6.876744266e-01 
3.66 -6.586415744e-01 
3.68 -6.305524519e-01 
3.70 -6.033888688e-01 
3.72 -5.771321890e-01 
3.74 -5.517634150e-01 
3.76 -5.272632662e-01 
3.78 -5.036122513e-01 
3.80 -4.807907336e-01 
3.82 -4.587789916e-01 
3.84 -4.375572739e-01 
3.86 -4.171058494e-01 
3.88 -3.974050525e-01 
3.90 -3.784353239e-01 
3.92 -3.601772479e-01 
3.94 -3.426115854e-01 
3.96 -3.257193031e-01 
3.98 -3.094816004e-01 
4.00 -2.938799319e-01 
4.02 -2.788960283e-01 
4.04 -2.645119137e-01 
4.06 -2.507099213e-01 
4.08 -2.374727063e-01 
4.10 -2.247832567e-01 
4.12 -2.126249029e-01 
4.14 -2.009813245e-01 
4.16 -1.898365565e-01 
4.18 -1.791749936e-01 
4.20 -1.689813931e-01 
4.22 -1.592408765e-01 
4.24 -1.499389308e-01 
4.26 -1.410614077e-01 
4.28 -1.325945226e-01 
4.30 -1.245248527e-01 
4.32 -1.168393345e-01 
4.34 -1.095252599e-01 
4.36 -1.025702731e-01 
4.38 -9.596236550e-02 
4.40 -8.968987165e-02 
4.42 -8.374146348e-02 
4.44 -7.810614403e-02 
4.46 -7.277324261e-02 
4.48 -6.773240877e-02 
4.50 -6.297360593e-02 
4.52 -5.848707961e-02 
4.54 -5.426314225e-02 
4.56 -5.029276037e-02 
4.58 -4.656723703e-02 
4.60 -4.307809531e-02 
4.62 -3.981708799e-02 
4.64 -3.677620399e-02 
4.66 -3.392869557e-02 
4.68 -3.124108048e-02 
4.70 -2.870775869e-02 
4.72 -2.632350273e-02 
4.74 -2.408324412e-02 
4.76 -2.198207060e-02 
4.78 -2.001522313e-02 
4.80 -1.817809275e-02 
4.82 -1.646621740e-02 
4.84 -1.487527876e-02 
4.86 -1.340109719e-02 
4.88 -1.203962928e-02 
4.90 -1.078696435e-02 
4.92 -9.639320839e-03 
4.94 -8.593042593e-03 
4.96 -7.644556593e-03 
4.98 -6.790232083e-03 
5.00 -6.010976605e-03 
5.02 -5.288554285e-03 
5.04 -4.621022169e-03 
5.06 -4.006474672e-03 
5.08 -3.443048727e-03 
5.10 -2.928927820e-03 
5.12 -2.462344965e-03 
5.14 -2.041584777e-03 
5.16 -1.664984797e-03 
5.18 -1.330936189e-03 
5.20 -1.037883907e-03 
5.22 -7.843264393e-04 
5.24 -5.688152004e-04 
5.26 -3.899536362e-04 
5.28 -2.463961097e-04 
5.30 -1.368466096e-04 
5.32 -6.005732672e-05 
5.34 -1.482713418e-05 
5.36  1.825383420e-10 
5.38  0.000000000e+00 
5.40  0.000000000e+00 
5.42  0.000000000e+00 
5.44  0.000000000e+00 
5.46  0.000000000e+00 
5.48  0.000000000e+00 
5.50  0.000000000e+00 
5.52  0.000000000e+00 
5.54  0.000000000e+00 
5.56  0.000000000e+00 
5.58  0.000000000e+00 
5.60  0.000000000e+00 
5.62  0.000000000e+00 
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