# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt
# implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1
# composition = Au2Pd
# 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 2022-05-24

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  nan             
0.80  nan             
0.82  nan             
0.84  nan             
0.86  nan             
0.88  1.150812384e+03 
0.90  1.050257802e+03 
0.92  9.595640731e+02 
0.94  8.776269277e+02 
0.96  8.034815325e+02 
0.98  7.362853840e+02 
1.00  6.752988531e+02 
1.02  6.198730717e+02 
1.04  5.694350689e+02 
1.06  5.234789372e+02 
1.08  4.815574013e+02 
1.10  4.432722916e+02 
1.12  4.082706953e+02 
1.14  3.762383298e+02 
1.16  3.468940875e+02 
1.18  3.199869793e+02 
1.20  2.952922110e+02 
1.22  2.726082571e+02 
1.24  2.517530975e+02 
1.26  2.325637927e+02 
1.28  2.148935541e+02 
1.30  1.986102503e+02 
1.32  1.835934143e+02 
1.34  1.697345936e+02 
1.36  1.569356238e+02 
1.38  1.451075471e+02 
1.40  1.341696559e+02 
1.42  1.240487079e+02 
1.44  1.146776454e+02 
1.46  1.059956998e+02 
1.48  9.794737238e+01 
1.50  9.048218193e+01 
1.52  8.355403775e+01 
1.54  7.712083328e+01 
1.56  7.114411268e+01 
1.58  6.558855661e+01 
1.60  6.042163019e+01 
1.62  5.561382645e+01 
1.64  5.113786490e+01 
1.66  4.696894045e+01 
1.68  4.308424277e+01 
1.70  3.946278888e+01 
1.72  3.608894050e+01 
1.74  3.294186923e+01 
1.76  3.001100588e+01 
1.78  2.728231569e+01 
1.80  2.474240699e+01 
1.82  2.237814459e+01 
1.84  2.018296134e+01 
1.86  1.814519997e+01 
1.88  1.625511661e+01 
1.90  1.450352420e+01 
1.92  1.288182562e+01 
1.94  1.138186808e+01 
1.96  9.995954737e+00 
1.98  8.716725652e+00 
2.00  7.537327399e+00 
2.02  6.451286812e+00 
2.04  5.452480278e+00 
2.06  4.535120993e+00 
2.08  3.693742221e+00 
2.10  2.923182732e+00 
2.12  2.218456123e+00 
2.14  1.574975336e+00 
2.16  9.883204935e-01 
2.18  4.544115793e-01 
2.20 -3.012979630e-02 
2.22 -4.692282593e-01 
2.24 -8.661973241e-01 
2.26 -1.224146701e+00 
2.28 -1.546018319e+00 
2.30 -1.834388825e+00 
2.32 -2.091842187e+00 
2.34 -2.320911172e+00 
2.36 -2.523821015e+00 
2.38 -2.702639115e+00 
2.40 -2.859283663e+00 
2.42 -2.995655845e+00 
2.44 -3.113253425e+00 
2.46 -3.213407009e+00 
2.48 -3.297776516e+00 
2.50 -3.367669645e+00 
2.52 -3.424301493e+00 
2.54 -3.468796084e+00 
2.56 -3.502194738e+00 
2.58 -3.525165603e+00 
2.60 -3.538859332e+00 
2.62 -3.544138554e+00 
2.64 -3.541763912e+00 
2.66 -3.532438462e+00 
2.68 -3.516812215e+00 
2.70 -3.495486175e+00 
2.72 -3.469016034e+00 
2.74 -3.437915607e+00 
2.76 -3.402654191e+00 
2.78 -3.364288739e+00 
2.80 -3.323122549e+00 
2.82 -3.278978601e+00 
2.84 -3.231857875e+00 
2.86 -3.181982657e+00 
2.88 -3.130182061e+00 
2.90 -3.076706670e+00 
2.92 -3.022125088e+00 
2.94 -2.966295585e+00 
2.96 -2.909445690e+00 
2.98 -2.851590171e+00 
3.00 -2.792370964e+00 
3.02 -2.732693518e+00 
3.04 -2.672739343e+00 
3.06 -2.612643997e+00 
3.08 -2.552536879e+00 
3.10 -2.492535119e+00 
3.12 -2.432745748e+00 
3.14 -2.373265709e+00 
3.16 -2.314183144e+00 
3.18 -2.255578182e+00 
3.20 -2.197522263e+00 
3.22 -2.140080903e+00 
3.24 -2.083303457e+00 
3.26 -2.027643580e+00 
3.28 -1.972863618e+00 
3.30 -1.918866980e+00 
3.32 -1.865688527e+00 
3.34 -1.813361986e+00 
3.36 -1.761914848e+00 
3.38 -1.711369930e+00 
3.40 -1.661786529e+00 
3.42 -1.613648911e+00 
3.44 -1.566440628e+00 
3.46 -1.520190876e+00 
3.48 -1.474907303e+00 
3.50 -1.430556088e+00 
3.52 -1.387107676e+00 
3.54 -1.344545766e+00 
3.56 -1.302875915e+00 
3.58 -1.262121072e+00 
3.60 -1.222306705e+00 
3.62 -1.183458120e+00 
3.64 -1.145537162e+00 
3.66 -1.108483357e+00 
3.68 -1.072268331e+00 
3.70 -1.036903608e+00 
3.72 -1.002438703e+00 
3.74 -9.688852515e-01 
3.76 -9.361049249e-01 
3.78 -9.041410415e-01 
3.80 -8.730600377e-01 
3.82 -8.429112794e-01 
3.84 -8.137291582e-01 
3.86 -7.855334345e-01 
3.88 -7.583361085e-01 
3.90 -7.322052084e-01 
3.92 -7.072059068e-01 
3.94 -6.831084896e-01 
3.96 -6.597153378e-01 
3.98 -6.368550628e-01 
4.00 -6.144314384e-01 
4.02 -5.923821955e-01 
4.04 -5.706671469e-01 
4.06 -5.492632933e-01 
4.08 -5.281607858e-01 
4.10 -5.073596110e-01 
4.12 -4.868813899e-01 
4.14 -4.667463389e-01 
4.16 -4.468836407e-01 
4.18 -4.272712250e-01 
4.20 -4.079885829e-01 
4.22 -3.891004243e-01 
4.24 -3.706580636e-01 
4.26 -3.527014152e-01 
4.28 -3.352607093e-01 
4.30 -3.183579653e-01 
4.32 -3.020082592e-01 
4.34 -2.862208097e-01 
4.36 -2.709995918e-01 
4.38 -2.563287525e-01 
4.40 -2.422105568e-01 
4.42 -2.286549684e-01 
4.44 -2.156651990e-01 
4.46 -2.032389987e-01 
4.48 -1.913697450e-01 
4.50 -1.800473580e-01 
4.52 -1.692590675e-01 
4.54 -1.589900544e-01 
4.56 -1.492239856e-01 
4.58 -1.399434559e-01 
4.60 -1.311303523e-01 
4.62 -1.227661533e-01 
4.64 -1.148321728e-01 
4.66 -1.073097573e-01 
4.68 -1.001804424e-01 
4.70 -9.342607769e-02 
4.72 -8.702892265e-02 
4.74 -8.097172090e-02 
4.76 -7.523775459e-02 
4.78 -6.981088273e-02 
4.80 -6.466267626e-02 
4.82 -6.017280350e-02 
4.84 -5.607062026e-02 
4.86 -5.218264655e-02 
4.88 -4.849824231e-02 
4.90 -4.500721684e-02 
4.92 -4.169982277e-02 
4.94 -3.856674772e-02 
4.96 -3.559910372e-02 
4.98 -3.278841529e-02 
5.00 -3.012660656e-02 
5.02 -2.760598795e-02 
5.04 -2.521924230e-02 
5.06 -2.295941002e-02 
5.08 -2.081987491e-02 
5.10 -1.879434976e-02 
5.12 -1.687686237e-02 
5.14 -1.506174148e-02 
5.16 -1.334360313e-02 
5.18 -1.171733735e-02 
5.20 -1.017809537e-02 
5.22 -8.721277338e-03 
5.24 -7.342520090e-03 
5.26 -6.037665359e-03 
5.28 -4.804114526e-03 
5.30 -3.666897402e-03 
5.32 -3.234337262e-03 
5.34 -2.848282366e-03 
5.36 -2.490172002e-03 
5.38 -2.153535543e-03 
5.40 -1.837124049e-03 
5.42 -1.539758787e-03 
5.44 -1.260327438e-03 
5.46 -9.977805008e-04 
5.48 -7.511278952e-04 
5.50 -5.194357408e-04 
5.52 -3.018232537e-04 
5.54 -9.614804606e-05 
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