# 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 = AsAu2
# 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 -9.539255277e+10 
0.94 -7.625665964e+10 
0.96 -6.100720071e+10 
0.98 -4.932509612e+10 
1.00 -4.002091479e+10 
1.02 -3.292238533e+10 
1.04 -2.708864679e+10 
1.06 -2.261457593e+10 
1.08 -1.884040126e+10 
1.10 -1.586784792e+10 
1.12 -1.333200498e+10 
1.14 -1.120733726e+10 
1.16 -9.492429038e+09 
1.18 -7.899063670e+09 
1.20 -6.536065244e+09 
1.22 -5.366047592e+09 
1.24 -4.335450925e+09 
1.26 -3.469413525e+09 
1.28 -2.765485243e+09 
1.30 -2.172869851e+09 
1.32 -1.689685398e+09 
1.34 -1.297228346e+09 
1.36 -1.002814956e+09 
1.38 -7.449095616e+08 
1.40 -5.408089618e+08 
1.42 -3.825550959e+08 
1.44 -2.624489847e+08 
1.46 -1.784967448e+08 
1.48 -1.137210863e+08 
1.50 -6.885225787e+07 
1.52 -3.907108396e+07 
1.54 -2.034987744e+07 
1.56 -9.375179063e+06 
1.58 -3.560047157e+06 
1.60 -1.029792019e+06 
1.62 -1.302914072e+05 
1.64 -5.695063996e+01 
1.66  2.169221991e+01 
1.68  1.894938998e+01 
1.70  1.672039175e+01 
1.72  1.448023262e+01 
1.74  1.251249826e+01 
1.76  1.082000018e+01 
1.78  9.044500896e+00 
1.80  7.423763975e+00 
1.82  5.947523030e+00 
1.84  4.658619403e+00 
1.86  3.443003110e+00 
1.88  2.345877622e+00 
1.90  1.357000917e+00 
1.92  4.662495767e-01 
1.94 -3.359740139e-01 
1.96 -1.056033881e+00 
1.98 -1.699183281e+00 
2.00 -2.169413173e+00 
2.02 -2.613964413e+00 
2.04 -3.054710730e+00 
2.06 -3.436856495e+00 
2.08 -3.765702363e+00 
2.10 -4.046125115e+00 
2.12 -4.282983861e+00 
2.14 -4.372463575e+00 
2.16 -4.528879641e+00 
2.18 -4.649980866e+00 
2.20 -4.740370314e+00 
2.22 -4.804776800e+00 
2.24 -4.847769843e+00 
2.26 -4.872878922e+00 
2.28 -4.883244040e+00 
2.30 -4.881995017e+00 
2.32 -4.871362308e+00 
2.34 -4.745663676e+00 
2.36 -4.717268670e+00 
2.38 -4.681037962e+00 
2.40 -4.514994044e+00 
2.42 -4.461661708e+00 
2.44 -4.399638821e+00 
2.46 -4.329784496e+00 
2.48 -4.252982540e+00 
2.50 -4.170192930e+00 
2.52 -4.082521341e+00 
2.54 -3.991089881e+00 
2.56 -3.897020658e+00 
2.58 -3.801435777e+00 
2.60 -3.678853092e+00 
2.62 -3.608160611e+00 
2.64 -3.558300030e+00 
2.66 -3.564976105e+00 
2.68 -3.565295697e+00 
2.70 -3.559772192e+00 
2.72 -3.548716646e+00 
2.74 -3.532865993e+00 
2.76 -3.512812145e+00 
2.78 -3.488700529e+00 
2.80 -3.460602293e+00 
2.82 -3.428650380e+00 
2.84 -3.393100313e+00 
2.86 -3.354284178e+00 
2.88 -3.312393415e+00 
2.90 -3.267391450e+00 
2.92 -3.218364325e+00 
2.94 -3.164287581e+00 
2.96 -3.104697271e+00 
2.98 -3.040140671e+00 
3.00 -2.954353930e+00 
3.02 -2.871584121e+00 
3.04 -2.811872116e+00 
3.06 -2.758385577e+00 
3.08 -2.709555363e+00 
3.10 -2.663392422e+00 
3.12 -2.618500015e+00 
3.14 -2.429691073e+00 
3.16 -2.379605160e+00 
3.18 -2.329275179e+00 
3.20 -2.278920106e+00 
3.22 -2.228639658e+00 
3.24 -2.178487718e+00 
3.26 -2.128488469e+00 
3.28 -2.078648475e+00 
3.30 -2.028973601e+00 
3.32 -1.979585279e+00 
3.34 -1.930661226e+00 
3.36 -1.882331459e+00 
3.38 -1.834687131e+00 
3.40 -1.787784357e+00 
3.42 -1.741640898e+00 
3.44 -1.696348707e+00 
3.46 -1.652195223e+00 
3.48 -1.609453313e+00 
3.50 -1.568370553e+00 
3.52 -1.529237739e+00 
3.54 -1.492443306e+00 
3.56 -1.458325443e+00 
3.58 -1.427125014e+00 
3.60 -1.398997288e+00 
3.62 -1.374023041e+00 
3.64 -1.352219111e+00 
3.66 -1.333548479e+00 
3.68 -1.229772743e+00 
3.70 -1.216934806e+00 
3.72 -1.205844387e+00 
3.74 -1.195732499e+00 
3.76 -1.185667172e+00 
3.78 -1.174979491e+00 
3.80 -1.163213429e+00 
3.82 -1.150088997e+00 
3.84 -1.135477022e+00 
3.86 -1.119375677e+00 
3.88 -1.101888693e+00 
3.90 -1.083205226e+00 
3.92 -1.063571734e+00 
3.94 -1.043241023e+00 
3.96 -1.022468451e+00 
3.98 -1.001505343e+00 
4.00 -9.805895808e-01 
4.02 -9.599386007e-01 
4.04 -9.397444276e-01 
4.06 -9.201704200e-01 
4.08 -9.013494308e-01 
4.10 -8.833831178e-01 
4.12 -8.663417526e-01 
4.14 -8.502624236e-01 
4.16 -8.351521410e-01 
4.18 -8.209910163e-01 
4.20 -8.077342508e-01 
4.22 -7.953142170e-01 
4.24 -7.836425374e-01 
4.26 -7.726120705e-01 
4.28 -7.620987272e-01 
4.30 -7.519630561e-01 
4.32 -7.420515429e-01 
4.34 -7.322311236e-01 
4.36 -7.224784370e-01 
4.38 -7.127948887e-01 
4.40 -7.031816478e-01 
4.42 -6.936396493e-01 
4.44 -6.841696013e-01 
4.46 -6.747719983e-01 
4.48 -6.654470660e-01 
4.50 -6.561938105e-01 
4.52 -6.470103227e-01 
4.54 -6.378945781e-01 
4.56 -6.288444833e-01 
4.58 -6.198579078e-01 
4.60 -6.109327192e-01 
4.62 -6.020668232e-01 
4.64 -5.932582082e-01 
4.66 -5.845049958e-01 
4.68 -5.758054978e-01 
4.70 -5.671582815e-01 
4.72 -5.585622434e-01 
4.74 -5.500166944e-01 
4.76 -5.415241395e-01 
4.78 -5.330965797e-01 
4.80 -5.247475398e-01 
4.82 -5.164898847e-01 
4.84 -5.083359754e-01 
4.86 -5.003051542e-01 
4.88 -4.924251483e-01 
4.90 -4.847229950e-01 
4.92 -4.772243775e-01 
4.94 -4.699535460e-01 
4.96 -4.629332587e-01 
4.98 -4.561847461e-01 
5.00 -4.497276988e-01 
5.02 -4.435802849e-01 
5.04 -4.377591979e-01 
5.06 -4.322797382e-01 
5.08 -4.271559311e-01 
5.10 -4.224006841e-01 
5.12 -4.180259829e-01 
5.14 -4.140431303e-01 
5.16 -4.104630241e-01 
5.18 -4.072905013e-01 
5.20 -3.688014374e-01 
5.22 -3.663092066e-01 
5.24 -3.639616397e-01 
5.26 -3.617306243e-01 
5.28 -3.595883284e-01 
5.30 -3.575071529e-01 
5.32 -3.554598022e-01 
5.34 -3.534190033e-01 
5.36 -3.513576207e-01 
5.38 -3.492483676e-01 
5.40 -3.470637752e-01 
5.42 -3.447762403e-01 
5.44 -3.423579353e-01 
5.46 -3.397807723e-01 
5.48 -3.370163761e-01 
5.50 -3.340360672e-01 
5.52 -3.308108526e-01 
5.54 -3.273114251e-01 
5.56 -3.235081719e-01 
5.58 -3.193711930e-01 
5.60 -3.148861333e-01 
5.62 -3.100922041e-01 
5.64 -3.050404499e-01 
5.66 -2.997825183e-01 
5.68 -2.943706815e-01 
5.70 -2.888578465e-01 
5.72 -2.832975554e-01 
5.74 -2.777439750e-01 
5.76 -2.722518751e-01 
5.78 -2.668765960e-01 
5.80 -2.616740043e-01 
5.82 -2.567004376e-01 
5.84 -2.520126376e-01 
5.86 -2.476676707e-01 
5.88 -2.437228380e-01 
5.90 -2.402355729e-01 
5.92 -2.372633594e-01 
5.94 -2.348635811e-01 
5.96 -2.330931569e-01 
5.98 -2.320088142e-01 
6.00 -1.090024314e-01