# 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 = CuPt2
# 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  6.773754726e+06 
0.80  6.141852762e+06 
0.82  5.571559956e+06 
0.84  5.055699209e+06 
0.86  4.588074736e+06 
0.88  4.163293088e+06 
0.90  3.776646099e+06 
0.92  3.424086834e+06 
0.94  3.102022600e+06 
0.96  2.807320693e+06 
0.98  2.537207626e+06 
1.00  2.289279732e+06 
1.02  2.061383591e+06 
1.04  1.851602218e+06 
1.06  1.658236394e+06 
1.08  1.479783474e+06 
1.10  1.314901349e+06 
1.12  1.162389341e+06 
1.14  1.021157250e+06 
1.16  8.902084501e+05 
1.18  7.686627953e+05 
1.20  6.557448439e+05 
1.22  5.507528993e+05 
1.24  4.530319145e+05 
1.26  3.662722497e+05 
1.28  2.951628293e+05 
1.30  2.363215282e+05 
1.32  1.870711838e+05 
1.34  1.462624239e+05 
1.36  1.143956583e+05 
1.38  8.957715741e+04 
1.40  7.021790142e+04 
1.42  5.509697633e+04 
1.44  4.327095348e+04 
1.46  3.401049847e+04 
1.48  2.675038298e+04 
1.50  2.105240951e+04 
1.52  1.657648538e+04 
1.54  1.305773687e+04 
1.56  1.028933723e+04 
1.58  8.109881423e+03 
1.60  6.392959075e+03 
1.62  5.039648273e+03 
1.64  3.972627866e+03 
1.66  3.131147414e+03 
1.68  2.467351648e+03 
1.70  1.943638954e+03 
1.72  1.530465656e+03 
1.74  1.204536263e+03 
1.76  9.474733710e+02 
1.78  7.447297525e+02 
1.80  5.848394447e+02 
1.82  4.587878435e+02 
1.84  3.594474288e+02 
1.86  2.812051813e+02 
1.88  2.196209568e+02 
1.90  1.711824708e+02 
1.92  1.331117087e+02 
1.94  1.032104381e+02 
1.96  7.974427951e+01 
1.98  6.134341941e+01 
2.00  4.692502117e+01 
2.02  3.563541641e+01 
2.04  2.680214470e+01 
2.06  1.989515428e+01 
2.08  1.449709526e+01 
2.10  1.027973888e+01 
2.12  6.985177737e+00 
2.14  4.411334999e+00 
2.16  2.399891922e+00 
2.18  8.266305794e-01 
2.20 -4.047671918e-01 
2.22 -1.369301483e+00 
2.24 -2.125416650e+00 
2.26 -2.718568939e+00 
2.28 -3.184046785e+00 
2.30 -3.549196981e+00 
2.32 -3.835178927e+00 
2.34 -4.058344418e+00 
2.36 -4.231311996e+00 
2.38 -4.363816799e+00 
2.40 -4.463392530e+00 
2.42 -4.535874580e+00 
2.44 -4.585800143e+00 
2.46 -4.616717937e+00 
2.48 -4.631426876e+00 
2.50 -4.632159149e+00 
2.52 -4.620719958e+00 
2.54 -4.598593555e+00 
2.56 -4.567023197e+00 
2.58 -4.527070997e+00 
2.60 -4.479662347e+00 
2.62 -4.425522995e+00 
2.64 -4.365271721e+00 
2.66 -4.299568108e+00 
2.68 -4.229022280e+00 
2.70 -4.154203471e+00 
2.72 -4.075627682e+00 
2.74 -3.993752243e+00 
2.76 -3.909047972e+00 
2.78 -3.821961577e+00 
2.80 -3.732914702e+00 
2.82 -3.642304580e+00 
2.84 -3.550488628e+00 
2.86 -3.457775491e+00 
2.88 -3.364488621e+00 
2.90 -3.270930461e+00 
2.92 -3.177380903e+00 
2.94 -3.084097837e+00 
2.96 -2.991317764e+00 
2.98 -2.899256487e+00 
3.00 -2.808109857e+00 
3.02 -2.718054580e+00 
3.04 -2.629249069e+00 
3.06 -2.541822646e+00 
3.08 -2.455834172e+00 
3.10 -2.371381084e+00 
3.12 -2.288556502e+00 
3.14 -2.207440218e+00 
3.16 -2.128099617e+00 
3.18 -2.050590571e+00 
3.20 -1.974958302e+00 
3.22 -1.901238225e+00 
3.24 -1.829456742e+00 
3.26 -1.759632015e+00 
3.28 -1.691774692e+00 
3.30 -1.625888597e+00 
3.32 -1.561963197e+00 
3.34 -1.499896638e+00 
3.36 -1.439653619e+00 
3.38 -1.381222190e+00 
3.40 -1.324586406e+00 
3.42 -1.269726773e+00 
3.44 -1.216620659e+00 
3.46 -1.165242685e+00 
3.48 -1.115565071e+00 
3.50 -1.067557976e+00 
3.52 -1.021189794e+00 
3.54 -9.764274349e-01 
3.56 -9.332365797e-01 
3.58 -8.915819143e-01 
3.60 -8.514273419e-01 
3.62 -8.127361760e-01 
3.64 -7.754713159e-01 
3.66 -7.395954047e-01 
3.68 -7.050709717e-01 
3.70 -6.718605603e-01 
3.72 -6.399268416e-01 
3.74 -6.092327167e-01 
3.76 -5.797414056e-01 
3.78 -5.514165273e-01 
3.80 -5.242221686e-01 
3.82 -4.981229443e-01 
3.84 -4.730840497e-01 
3.86 -4.490713045e-01 
3.88 -4.260511907e-01 
3.90 -4.039908838e-01 
3.92 -3.828582781e-01 
3.94 -3.626220078e-01 
3.96 -3.432514620e-01 
3.98 -3.247167968e-01 
4.00 -3.069889427e-01 
4.02 -2.900396094e-01 
4.04 -2.738412871e-01 
4.06 -2.583672449e-01 
4.08 -2.435915276e-01 
4.10 -2.294889496e-01 
4.12 -2.160350875e-01 
4.14 -2.032062708e-01 
4.16 -1.909795712e-01 
4.18 -1.793327911e-01 
4.20 -1.682444503e-01 
4.22 -1.576937728e-01 
4.24 -1.476606719e-01 
4.26 -1.381257357e-01 
4.28 -1.290702111e-01 
4.30 -1.204759883e-01 
4.32 -1.123255845e-01 
4.34 -1.046021277e-01 
4.36 -9.728934021e-02 
4.38 -9.037152246e-02 
4.40 -8.383353783e-02 
4.42 -7.766079158e-02 
4.44 -7.183921771e-02 
4.46 -6.635526342e-02 
4.48 -6.119587304e-02 
4.50 -5.634847235e-02 
4.52 -5.180085370e-02 
4.54 -4.754071021e-02 
4.56 -4.355709872e-02 
4.58 -3.983957054e-02 
4.60 -3.637795969e-02 
4.62 -3.316239871e-02 
4.64 -3.018332945e-02 
4.66 -2.743150943e-02 
4.68 -2.489801470e-02 
4.70 -2.256322459e-02 
4.72 -2.039202369e-02 
4.74 -1.837700855e-02 
4.76 -1.651236714e-02 
4.78 -1.479249342e-02 
4.80 -1.321198241e-02 
4.82 -1.176562507e-02 
4.84 -1.044840285e-02 
4.86 -9.255482162e-03 
4.88 -8.182106097e-03 
4.90 -7.223726870e-03 
4.92 -6.376114463e-03 
4.94 -5.635178685e-03 
4.96 -4.996967542e-03 
4.98 -4.457665693e-03 
5.00 -3.983964259e-03 
5.02 -3.544048837e-03 
5.04 -3.136485798e-03 
5.06 -2.759896890e-03 
5.08 -2.412957995e-03 
5.10 -2.094397937e-03 
5.12 -1.802997148e-03 
5.14 -1.537586216e-03 
5.16 -1.297044355e-03 
5.18 -1.080297821e-03 
5.20 -8.863182981e-04 
5.22 -7.141212602e-04 
5.24 -5.627643430e-04 
5.26 -4.313457215e-04 
5.28 -3.190025112e-04 
5.30 -2.249091975e-04 
5.32 -1.482761008e-04 
5.34 -8.834788105e-05 
5.36 -4.440208533e-05 
5.38 -1.574774151e-05 
5.40 -1.723998930e-06 
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