# 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 = Cu2Pd
# 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  2.513152438e+06 
0.80  2.265326333e+06 
0.82  2.041340831e+06 
0.84  1.838401868e+06 
0.86  1.654120739e+06 
0.88  1.486392359e+06 
0.90  1.333427886e+06 
0.92  1.193684983e+06 
0.94  1.065803480e+06 
0.96  9.485534087e+05 
0.98  8.408599359e+05 
1.00  7.417893225e+05 
1.02  6.505170652e+05 
1.04  5.662918376e+05 
1.06  4.884508060e+05 
1.08  4.164016821e+05 
1.10  3.496296497e+05 
1.12  2.876961580e+05 
1.14  2.309457660e+05 
1.16  1.803358750e+05 
1.18  1.404856345e+05 
1.20  1.096778720e+05 
1.22  8.579714651e+04 
1.24  6.723506569e+04 
1.26  5.277734467e+04 
1.28  4.149421646e+04 
1.30  3.267331800e+04 
1.32  2.576261356e+04 
1.34  2.033743546e+04 
1.36  1.607266001e+04 
1.38  1.271515643e+04 
1.40  1.006778234e+04 
1.42  7.978123567e+03 
1.44  6.326764016e+03 
1.46  5.019855402e+03 
1.48  3.984401789e+03 
1.50  3.163484913e+03 
1.52  2.512327508e+03 
1.54  1.995541266e+03 
1.56  1.585142152e+03 
1.58  1.259110185e+03 
1.60  9.999248178e+02 
1.62  7.938620473e+02 
1.64  6.300426205e+02 
1.66  4.998188492e+02 
1.68  3.963119009e+02 
1.70  3.140549857e+02 
1.72  2.487024963e+02 
1.74  1.967954936e+02 
1.76  1.555805046e+02 
1.78  1.228498602e+02 
1.80  9.685015491e+01 
1.82  7.620018844e+01 
1.84  5.980948958e+01 
1.86  4.680780568e+01 
1.88  3.650035406e+01 
1.90  2.833280446e+01 
1.92  2.186311061e+01 
1.94  1.673846019e+01 
1.96  1.267613841e+01 
1.98  9.455860715e+00 
2.00  6.902621839e+00 
2.02  4.877213313e+00 
2.04  3.269037873e+00 
2.06  1.990349791e+00 
2.08  9.716600866e-01 
2.10  1.580442508e-01 
2.12 -4.938221830e-01 
2.14 -1.018049509e+00 
2.16 -1.441412876e+00 
2.18 -1.784796985e+00 
2.20 -2.064521169e+00 
2.22 -2.293353510e+00 
2.24 -2.481270769e+00 
2.26 -2.636054421e+00 
2.28 -2.763765563e+00 
2.30 -2.869122312e+00 
2.32 -2.955798880e+00 
2.34 -3.026648867e+00 
2.36 -3.083900906e+00 
2.38 -3.129322728e+00 
2.40 -3.164319721e+00 
2.42 -3.190023129e+00 
2.44 -3.207358114e+00 
2.46 -3.217095912e+00 
2.48 -3.219893466e+00 
2.50 -3.216311417e+00 
2.52 -3.206789122e+00 
2.54 -3.191779068e+00 
2.56 -3.171710472e+00 
2.58 -3.146985818e+00 
2.60 -3.117986757e+00 
2.62 -3.084998858e+00 
2.64 -3.048279759e+00 
2.66 -3.008165022e+00 
2.68 -2.964979146e+00 
2.70 -2.919035765e+00 
2.72 -2.870637636e+00 
2.74 -2.820076419e+00 
2.76 -2.767632347e+00 
2.78 -2.713573865e+00 
2.80 -2.658157152e+00 
2.82 -2.601546780e+00 
2.84 -2.543905098e+00 
2.86 -2.485448714e+00 
2.88 -2.426381703e+00 
2.90 -2.366895682e+00 
2.92 -2.307169937e+00 
2.94 -2.247371616e+00 
2.96 -2.187655968e+00 
2.98 -2.128166636e+00 
3.00 -2.069035986e+00 
3.02 -2.010385473e+00 
3.04 -1.952326041e+00 
3.06 -1.894931893e+00 
3.08 -1.838145909e+00 
3.10 -1.782027220e+00 
3.12 -1.726649647e+00 
3.14 -1.672079322e+00 
3.16 -1.618375112e+00 
3.18 -1.565589039e+00 
3.20 -1.513766693e+00 
3.22 -1.462947629e+00 
3.24 -1.413165761e+00 
3.26 -1.364449738e+00 
3.28 -1.316823305e+00 
3.30 -1.270275380e+00 
3.32 -1.224776027e+00 
3.34 -1.180338728e+00 
3.36 -1.136973858e+00 
3.38 -1.094688448e+00 
3.40 -1.053486449e+00 
3.42 -1.013368994e+00 
3.44 -9.743346382e-01 
3.46 -9.363795899e-01 
3.48 -8.994979264e-01 
3.50 -8.636817972e-01 
3.52 -8.289216157e-01 
3.54 -7.952062376e-01 
3.56 -7.625231289e-01 
3.58 -7.308585216e-01 
3.60 -7.001975600e-01 
3.62 -6.705244356e-01 
3.64 -6.418225134e-01 
3.66 -6.140744478e-01 
3.68 -5.872622907e-01 
3.70 -5.613675910e-01 
3.72 -5.363714859e-01 
3.74 -5.122547854e-01 
3.76 -4.889980495e-01 
3.78 -4.665816585e-01 
3.80 -4.449858783e-01 
3.82 -4.241909181e-01 
3.84 -4.041769849e-01 
3.86 -3.849243310e-01 
3.88 -3.664132980e-01 
3.90 -3.486243560e-01 
3.92 -3.315381386e-01 
3.94 -3.151354748e-01 
3.96 -2.993974163e-01 
3.98 -2.843052624e-01 
4.00 -2.698405816e-01 
4.02 -2.559852307e-01 
4.04 -2.427213706e-01 
4.06 -2.300314806e-01 
4.08 -2.178983704e-01 
4.10 -2.063051891e-01 
4.12 -1.952354341e-01 
4.14 -1.846729570e-01 
4.16 -1.746019682e-01 
4.18 -1.650070406e-01 
4.20 -1.558731120e-01 
4.22 -1.471854856e-01 
4.24 -1.389298303e-01 
4.26 -1.310921799e-01 
4.28 -1.236589311e-01 
4.30 -1.166168413e-01 
4.32 -1.099479512e-01 
4.34 -1.035833198e-01 
4.36 -9.749729815e-02 
4.38 -9.168078025e-02 
4.40 -8.612491993e-02 
4.42 -8.082112630e-02 
4.44 -7.576105906e-02 
4.46 -7.093662357e-02 
4.48 -6.633996592e-02 
4.50 -6.196346782e-02 
4.52 -5.779974175e-02 
4.54 -5.384162509e-02 
4.56 -5.008217517e-02 
4.58 -4.651466426e-02 
4.60 -4.313257434e-02 
4.62 -3.992959184e-02 
4.64 -3.689951557e-02 
4.66 -3.403635647e-02 
4.68 -3.133448623e-02 
4.70 -2.878842698e-02 
4.72 -2.639285192e-02 
4.74 -2.414258732e-02 
4.76 -2.203261322e-02 
4.78 -2.005806328e-02 
4.80 -1.821422373e-02 
4.82 -1.649647525e-02 
4.84 -1.490012477e-02 
4.86 -1.342100498e-02 
4.88 -1.205511940e-02 
4.90 -1.079857656e-02 
4.92 -9.647592936e-03 
4.94 -8.598494764e-03 
4.96 -7.647718791e-03 
4.98 -6.791812409e-03 
5.00 -6.011542105e-03 
5.02 -5.288509797e-03 
5.04 -4.620648351e-03 
5.06 -4.005958650e-03 
5.08 -3.442508585e-03 
5.10 -2.928431953e-03 
5.12 -2.461927167e-03 
5.14 -2.041255827e-03 
5.16 -1.664741168e-03 
5.18 -1.330766431e-03 
5.20 -1.037773163e-03 
5.22 -7.842594848e-04 
5.24 -5.687783266e-04 
5.26 -3.899356594e-04 
5.28 -2.463887254e-04 
5.30 -1.368442831e-04 
5.32 -6.005687207e-05 
5.34 -1.482710623e-05 
5.36  1.825383419e-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