# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2021--Oliveira-D-S-Cotta-M-A--Ga-As-Au
# implementation = 2021--Oliveira-D-S--Ga-As-Au--LAMMPS--ipr1
# composition = Au2Ga
# 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 2025-07-01

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  nan             
0.90  nan             
0.92 -2.254411463e+10 
0.94 -1.842820410e+10 
0.96 -1.507123753e+10 
0.98 -1.246248573e+10 
1.00 -1.033661724e+10 
1.02 -8.704662950e+09 
1.04 -7.326539856e+09 
1.06 -6.258083158e+09 
1.08 -5.325992382e+09 
1.10 -4.577540324e+09 
1.12 -3.915283868e+09 
1.14 -3.342018465e+09 
1.16 -2.868725681e+09 
1.18 -2.411399325e+09 
1.20 -2.011136918e+09 
1.22 -1.661904479e+09 
1.24 -1.349600709e+09 
1.26 -1.083818739e+09 
1.28 -8.658323770e+08 
1.30 -6.805527052e+08 
1.32 -5.286309213e+08 
1.34 -4.050147824e+08 
1.36 -3.128866008e+08 
1.38 -2.323810375e+08 
1.40 -1.691023308e+08 
1.42 -1.200449982e+08 
1.44 -8.275863139e+07 
1.46 -5.672086937e+07 
1.48 -3.644213510e+07 
1.50 -2.230674538e+07 
1.52 -1.283555225e+07 
1.54 -6.800861690e+06 
1.56 -3.203649472e+06 
1.58 -1.256949076e+06 
1.60 -3.853223888e+05 
1.62 -5.648988091e+04 
1.64 -2.542821188e+02 
1.66  2.472303012e+01 
1.68  2.171614766e+01 
1.70  1.899411131e+01 
1.72  1.646572365e+01 
1.74  1.425580245e+01 
1.76  1.221092098e+01 
1.78  1.025205427e+01 
1.80  8.470841429e+00 
1.82  6.856368508e+00 
1.84  5.450656091e+00 
1.86  4.137684010e+00 
1.88  2.960437190e+00 
1.90  1.907528641e+00 
1.92  9.680144737e-01 
1.94  1.315344737e-01 
1.96 -6.090378065e-01 
1.98 -1.259709255e+00 
2.00 -1.784223291e+00 
2.02 -2.249307235e+00 
2.04 -2.668523302e+00 
2.06 -3.023490818e+00 
2.08 -3.320535228e+00 
2.10 -3.565749725e+00 
2.12 -3.765218521e+00 
2.14 -3.816436468e+00 
2.16 -3.935092357e+00 
2.18 -4.020173351e+00 
2.20 -4.077514846e+00 
2.22 -4.113077503e+00 
2.24 -4.132256401e+00 
2.26 -4.138180576e+00 
2.28 -4.133422582e+00 
2.30 -4.120515612e+00 
2.32 -4.101088357e+00 
2.34 -3.968856819e+00 
2.36 -3.935588788e+00 
2.38 -3.895543171e+00 
2.40 -3.798274233e+00 
2.42 -3.745557461e+00 
2.44 -3.687077014e+00 
2.46 -3.623485599e+00 
2.48 -3.555449533e+00 
2.50 -3.483671772e+00 
2.52 -3.408925355e+00 
2.54 -3.331991226e+00 
2.56 -3.253650326e+00 
2.58 -3.174683600e+00 
2.60 -3.069267891e+00 
2.62 -3.038848576e+00 
2.64 -3.034320559e+00 
2.66 -3.030301510e+00 
2.68 -3.019693538e+00 
2.70 -3.003783681e+00 
2.72 -2.983793267e+00 
2.74 -2.960399678e+00 
2.76 -2.933742242e+00 
2.78 -2.903955279e+00 
2.80 -2.871263990e+00 
2.82 -2.836060890e+00 
2.84 -2.798770725e+00 
2.86 -2.759761747e+00 
2.88 -2.719201697e+00 
2.90 -2.676679552e+00 
2.92 -2.631752863e+00 
2.94 -2.584150389e+00 
2.96 -2.533827940e+00 
2.98 -2.481682303e+00 
3.00 -2.410215333e+00 
3.02 -2.341668539e+00 
3.04 -2.294283408e+00 
3.06 -2.250969041e+00 
3.08 -2.212036058e+00 
3.10 -2.176789562e+00 
3.12 -2.144555678e+00 
3.14 -2.061641421e+00 
3.16 -2.033163950e+00 
3.18 -2.005826714e+00 
3.20 -1.979301794e+00 
3.22 -1.953328831e+00 
3.24 -1.927707778e+00 
3.26 -1.902285556e+00 
3.28 -1.876944687e+00 
3.30 -1.851593676e+00 
3.32 -1.826158921e+00 
3.34 -1.800577953e+00 
3.36 -1.774793836e+00 
3.38 -1.748750548e+00 
3.40 -1.722385727e+00 
3.42 -1.695622776e+00 
3.44 -1.668422922e+00 
3.46 -1.640818511e+00 
3.48 -1.612841336e+00 
3.50 -1.584531527e+00 
3.52 -1.555992880e+00 
3.54 -1.527346509e+00 
3.56 -1.498716322e+00 
3.58 -1.470229175e+00 
3.60 -1.442014969e+00 
3.62 -1.414206699e+00 
3.64 -1.386940451e+00 
3.66 -1.360355346e+00 
3.68 -1.251274894e+00 
3.70 -1.224723749e+00 
3.72 -1.198169525e+00 
3.74 -1.171445239e+00 
3.76 -1.144345992e+00 
3.78 -1.116798290e+00 
3.80 -1.088802426e+00 
3.82 -1.060407585e+00 
3.84 -1.031703390e+00 
3.86 -1.002812119e+00 
3.88 -9.738815340e-01 
3.90 -9.450783274e-01 
3.92 -9.165714367e-01 
3.94 -8.884953532e-01 
3.96 -8.609691085e-01 
3.98 -8.341008131e-01 
4.00 -8.079854472e-01 
4.02 -7.827034091e-01 
4.04 -7.583196994e-01 
4.06 -7.348836299e-01 
4.08 -7.124289558e-01 
4.10 -6.909743438e-01 
4.12 -6.705235709e-01 
4.14 -6.510630391e-01 
4.16 -6.325650770e-01 
4.18 -6.149908723e-01 
4.20 -5.982916036e-01 
4.22 -5.824095390e-01 
4.24 -5.672790788e-01 
4.26 -5.528277150e-01 
4.28 -5.389768835e-01 
4.30 -5.256426909e-01 
4.32 -5.127365004e-01 
4.34 -5.001813235e-01 
4.36 -4.879538301e-01 
4.38 -4.760432317e-01 
4.40 -4.644392935e-01 
4.42 -4.531323261e-01 
4.44 -4.421131720e-01 
4.46 -4.313731899e-01 
4.48 -4.209041641e-01 
4.50 -4.106973156e-01 
4.52 -4.007435089e-01 
4.54 -3.910339785e-01 
4.56 -3.815603325e-01 
4.58 -3.723145378e-01 
4.60 -3.632889091e-01 
4.62 -3.544760993e-01 
4.64 -3.458690942e-01 
4.66 -3.374612098e-01 
4.68 -3.292460949e-01 
4.70 -3.212177377e-01 
4.72 -3.133704774e-01 
4.74 -3.056990222e-01 
4.76 -2.981999944e-01 
4.78 -2.908753067e-01 
4.80 -2.837273763e-01 
4.82 -2.767578931e-01 
4.84 -2.699680364e-01 
4.86 -2.633655327e-01 
4.88 -2.569659612e-01 
4.90 -2.507843163e-01 
4.92 -2.448344885e-01 
4.94 -2.391292935e-01 
4.96 -2.336805185e-01 
4.98 -2.284989863e-01 
5.00 -2.235946374e-01 
5.02 -2.189766537e-01 
5.04 -2.146033816e-01 
5.06 -2.103597102e-01 
5.08 -2.061989659e-01 
5.10 -2.021505408e-01 
5.12 -1.983037470e-01 
5.14 -1.947869437e-01 
5.16 -1.917433499e-01 
5.18 -1.892964559e-01 
5.20 -7.172656045e-02 
5.22 -7.139977145e-02 
5.24 -7.274449645e-02 
5.26 -7.552727841e-02 
5.28 -7.948323630e-02 
5.30 -8.433217326e-02 
5.32 -8.979309045e-02 
5.34 -9.559665370e-02 
5.36 -1.014953220e-01 
5.38 -1.072709922e-01 
5.40 -1.127401410e-01 
5.42 -1.177565573e-01 
5.44 -1.222118500e-01 
5.46 -1.260339928e-01 
5.48 -1.291842270e-01 
5.50 -1.316526836e-01 
5.52 -1.334531132e-01 
5.54 -1.346171157e-01 
5.56 -1.351882555e-01 
5.58 -1.352164200e-01 
5.60 -1.347628058e-01 
5.62 -1.339156028e-01 
5.64 -1.327560941e-01 
5.66 -1.313530032e-01 
5.68 -1.297647568e-01 
5.70 -1.280414223e-01 
5.72 -1.262263541e-01 
5.74 -1.243575808e-01 
5.76 -1.224689641e-01 
5.78 -1.205911546e-01 
5.80 -1.187523712e-01 
5.82 -1.169790272e-01 
5.84 -1.152962217e-01 
5.86 -1.137281193e-01 
5.88 -1.122982304e-01 
5.90 -1.110296120e-01 
5.92 -1.099449992e-01 
5.94 -1.090668812e-01 
5.96 -1.084175329e-01 
5.98 -1.080190092e-01 
6.00 -5.270507883e-02