# 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 = AuCu2
# 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  3.281014382e+06 
0.80  2.949438619e+06 
0.82  2.649834462e+06 
0.84  2.378500867e+06 
0.86  2.132204319e+06 
0.88  1.908109249e+06 
0.90  1.703798032e+06 
0.92  1.517204559e+06 
0.94  1.346508951e+06 
0.96  1.190092699e+06 
0.98  1.046472055e+06 
1.00  9.144016878e+05 
1.02  7.927551355e+05 
1.04  6.805450378e+05 
1.06  5.768978710e+05 
1.08  4.810176451e+05 
1.10  3.922174920e+05 
1.12  3.110391954e+05 
1.14  2.415043736e+05 
1.16  1.873376736e+05 
1.18  1.456437808e+05 
1.20  1.134699626e+05 
1.22  8.857777613e+04 
1.24  6.927116674e+04 
1.26  5.426648757e+04 
1.28  4.258183720e+04 
1.30  3.346411668e+04 
1.32  2.633532599e+04 
1.34  2.075032635e+04 
1.36  1.636854602e+04 
1.38  1.292556208e+04 
1.40  1.021567749e+04 
1.42  8.080529195e+03 
1.44  6.396523752e+03 
1.46  5.066594904e+03 
1.48  4.014905520e+03 
1.50  3.182543965e+03 
1.52  2.523362195e+03 
1.54  2.001060194e+03 
1.56  1.586960542e+03 
1.58  1.258538875e+03 
1.60  9.980280171e+02 
1.62  7.913643494e+02 
1.64  6.274088971e+02 
1.66  4.973253331e+02 
1.68  3.940669621e+02 
1.70  3.120970023e+02 
1.72  2.470442893e+02 
1.74  1.954309546e+02 
1.76  1.544906753e+02 
1.78  1.220143998e+02 
1.80  9.625102190e+01 
1.82  7.582248480e+01 
1.84  5.963083203e+01 
1.86  4.680165097e+01 
1.88  3.663888377e+01 
1.90  2.858720613e+01 
1.92  2.220695115e+01 
1.94  1.714904229e+01 
1.96  1.313472769e+01 
1.98  9.946257603e+00 
2.00  7.410342785e+00 
2.02  5.389663564e+00 
2.04  3.776292617e+00 
2.06  2.484746133e+00 
2.08  1.447377617e+00 
2.10  6.107615759e-01 
2.12 -6.720900575e-02 
2.14 -6.196498129e-01 
2.16 -1.072548485e+00 
2.18 -1.446233042e+00 
2.20 -1.756567691e+00 
2.22 -2.015938138e+00 
2.24 -2.233998523e+00 
2.26 -2.418218359e+00 
2.28 -2.574414114e+00 
2.30 -2.707139166e+00 
2.32 -2.819949083e+00 
2.34 -2.915629636e+00 
2.36 -2.996375747e+00 
2.38 -3.063931343e+00 
2.40 -3.119698102e+00 
2.42 -3.164819552e+00 
2.44 -3.200245605e+00 
2.46 -3.226773273e+00 
2.48 -3.245093993e+00 
2.50 -3.255813422e+00 
2.52 -3.259418418e+00 
2.54 -3.256412528e+00 
2.56 -3.247277797e+00 
2.58 -3.232470265e+00 
2.60 -3.212425211e+00 
2.62 -3.187493572e+00 
2.64 -3.157993068e+00 
2.66 -3.124300886e+00 
2.68 -3.086782027e+00 
2.70 -3.045789414e+00 
2.72 -3.001663793e+00 
2.74 -2.954733478e+00 
2.76 -2.905314015e+00 
2.78 -2.853707824e+00 
2.80 -2.800203869e+00 
2.82 -2.745077384e+00 
2.84 -2.688589663e+00 
2.86 -2.630987943e+00 
2.88 -2.572505360e+00 
2.90 -2.513361003e+00 
2.92 -2.453760034e+00 
2.94 -2.393893894e+00 
2.96 -2.333886192e+00 
2.98 -2.273845740e+00 
3.00 -2.213925217e+00 
3.02 -2.154265303e+00 
3.04 -2.094995114e+00 
3.06 -2.036205721e+00 
3.08 -1.977854750e+00 
3.10 -1.920016883e+00 
3.12 -1.862780855e+00 
3.14 -1.806226831e+00 
3.16 -1.750426866e+00 
3.18 -1.695445360e+00 
3.20 -1.641339507e+00 
3.22 -1.588159730e+00 
3.24 -1.535950103e+00 
3.26 -1.484748765e+00 
3.28 -1.434588314e+00 
3.30 -1.385496190e+00 
3.32 -1.337495041e+00 
3.34 -1.290603072e+00 
3.36 -1.244834382e+00 
3.38 -1.200199281e+00 
3.40 -1.156704593e+00 
3.42 -1.114353944e+00 
3.44 -1.073148031e+00 
3.46 -1.033072252e+00 
3.48 -9.940743195e-01 
3.50 -9.561448841e-01 
3.52 -9.192775297e-01 
3.54 -8.834640492e-01 
3.56 -8.486946228e-01 
3.58 -8.149579854e-01 
3.60 -7.822415824e-01 
3.62 -7.505317152e-01 
3.64 -7.198136764e-01 
3.66 -6.900718762e-01 
3.68 -6.612899588e-01 
3.70 -6.334509106e-01 
3.72 -6.065371608e-01 
3.74 -5.805306731e-01 
3.76 -5.554130315e-01 
3.78 -5.311655180e-01 
3.80 -5.077691845e-01 
3.82 -4.852049190e-01 
3.84 -4.634535052e-01 
3.86 -4.424956773e-01 
3.88 -4.223121702e-01 
3.90 -4.028837642e-01 
3.92 -3.841913257e-01 
3.94 -3.662158446e-01 
3.96 -3.489384665e-01 
3.98 -3.323405226e-01 
4.00 -3.164035560e-01 
4.02 -3.011093447e-01 
4.04 -2.864399224e-01 
4.06 -2.723775957e-01 
4.08 -2.589049605e-01 
4.10 -2.460049147e-01 
4.12 -2.336606697e-01 
4.14 -2.218557597e-01 
4.16 -2.105740499e-01 
4.18 -1.997997422e-01 
4.20 -1.895173802e-01 
4.22 -1.797118528e-01 
4.24 -1.703683964e-01 
4.26 -1.614725962e-01 
4.28 -1.530103864e-01 
4.30 -1.449680497e-01 
4.32 -1.373271642e-01 
4.34 -1.300185376e-01 
4.36 -1.230160678e-01 
4.38 -1.163101180e-01 
4.40 -1.098913069e-01 
4.42 -1.037505056e-01 
4.44 -9.787883420e-02 
4.46 -9.226765789e-02 
4.48 -8.690858299e-02 
4.50 -8.179345297e-02 
4.52 -7.691434484e-02 
4.54 -7.226356272e-02 
4.56 -6.783363422e-02 
4.58 -6.361730649e-02 
4.60 -5.960754154e-02 
4.62 -5.579751146e-02 
4.64 -5.218040079e-02 
4.66 -4.874963308e-02 
4.68 -4.549921141e-02 
4.70 -4.242325600e-02 
4.72 -3.951601140e-02 
4.74 -3.677185699e-02 
4.76 -3.418531510e-02 
4.78 -3.175105700e-02 
4.80 -2.946390493e-02 
4.82 -2.731883519e-02 
4.84 -2.531097888e-02 
4.86 -2.343562141e-02 
4.88 -2.168820105e-02 
4.90 -2.006430670e-02 
4.92 -1.855967502e-02 
4.94 -1.717018714e-02 
4.96 -1.589186051e-02 
4.98 -1.472065793e-02 
5.00 -1.363039595e-02 
5.02 -1.259616658e-02 
5.04 -1.161608594e-02 
5.06 -1.068831871e-02 
5.08 -9.811078923e-03 
5.10 -8.982630518e-03 
5.12 -8.201287644e-03 
5.14 -7.465414625e-03 
5.16 -6.773425707e-03 
5.18 -6.123784614e-03 
5.20 -5.515003929e-03 
5.22 -4.945644342e-03 
5.24 -4.414313784e-03 
5.26 -3.919666471e-03 
5.28 -3.460401874e-03 
5.30 -3.035263637e-03 
5.32 -2.643038449e-03 
5.34 -2.282554884e-03 
5.36 -1.952682230e-03 
5.38 -1.652329300e-03 
5.40 -1.380443242e-03 
5.42 -1.136008353e-03 
5.44 -9.180448994e-04 
5.46 -7.256079555e-04 
5.48 -5.577862536e-04 
5.50 -4.137010570e-04 
5.52 -2.925050545e-04 
5.54 -1.933812804e-04 
5.56 -1.155420589e-04 
5.58 -5.822797722e-05 
5.60 -2.070688590e-05 
5.62 -2.272927701e-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