# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Al # implementation = 2025--Sharifi-H--Cu-Al--LAMMPS--ipr1 # composition = AlCu3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 5.043325286e+02 nan nan 0.92 4.541079108e+02 nan nan 0.94 4.075215908e+02 nan nan 0.96 3.648462207e+02 nan nan 0.98 3.261266904e+02 4.839188547e+02 nan 1.00 2.912569116e+02 4.425809878e+02 nan 1.02 2.600354674e+02 4.046871481e+02 4.985424965e+02 1.04 2.322054575e+02 3.700783597e+02 4.622965345e+02 1.06 2.074324125e+02 3.384237067e+02 4.287928278e+02 1.08 1.848864254e+02 3.080721476e+02 3.956047686e+02 1.10 1.643615036e+02 2.790154848e+02 3.628118132e+02 1.12 1.458082581e+02 2.516287707e+02 3.310930633e+02 1.14 1.291333049e+02 2.261279925e+02 3.009015624e+02 1.16 1.142164644e+02 2.026127537e+02 2.725197016e+02 1.18 1.009231476e+02 1.810989585e+02 2.461023381e+02 1.20 8.911316453e+01 1.615438122e+02 2.217104009e+02 1.22 7.864684760e+01 1.438648089e+02 1.993369554e+02 1.24 6.938916868e+01 1.279540103e+02 1.789272802e+02 1.26 6.121238186e+01 1.136886794e+02 1.603942459e+02 1.28 5.399758764e+01 1.009390789e+02 1.436299854e+02 1.30 4.763551120e+01 8.957411336e+01 1.285146543e+02 1.32 4.202672282e+01 7.946529253e+01 1.149229253e+02 1.34 3.708152070e+01 7.048942146e+01 1.027287141e+02 1.36 3.271954503e+01 6.253033383e+01 9.180854184e+01 1.38 2.886922367e+01 5.547991047e+01 8.204384807e+01 1.40 2.546712891e+01 4.923856462e+01 7.332250476e+01 1.42 2.245729250e+01 4.371534765e+01 6.553972797e+01 1.44 1.979050349e+01 3.882779817e+01 5.859853809e+01 1.46 1.742361342e+01 3.450160286e+01 5.240988268e+01 1.48 1.531889559e+01 3.067014576e+01 4.689253000e+01 1.50 1.344345437e+01 2.727399619e+01 4.197279771e+01 1.52 1.176868030e+01 2.426035057e+01 3.758417108e+01 1.54 1.026973560e+01 2.158246223e+01 3.366686074e+01 1.56 8.925096185e+00 1.919908011e+01 3.016732264e+01 1.58 7.716141984e+00 1.707390919e+01 2.703776350e+01 1.60 6.626789928e+00 1.517510004e+01 2.423564278e+01 1.62 5.643167768e+00 1.347476051e+01 2.172317671e+01 1.64 4.753325004e+00 1.194851069e+01 1.946687516e+01 1.66 3.946977489e+00 1.057508320e+01 1.743711388e+01 1.68 3.215278584e+00 9.335960632e+00 1.560773666e+01 1.70 2.550610757e+00 8.215047655e+00 1.395568711e+01 1.72 1.946315474e+00 7.198376353e+00 1.246067080e+01 1.74 1.396470256e+00 6.273843058e+00 1.110484804e+01 1.76 8.957985361e-01 5.430974278e+00 9.872554911e+00 1.78 4.395987738e-01 4.660761705e+00 8.750051969e+00 1.80 2.368081594e-02 3.955488064e+00 7.725298786e+00 1.82 -3.556876653e-01 3.308450621e+00 6.787751955e+00 1.84 -7.017326416e-01 2.713782753e+00 5.928187169e+00 1.86 -1.017233088e+00 2.166345149e+00 5.138538544e+00 1.88 -1.304692870e+00 1.661632893e+00 4.411754185e+00 1.90 -1.566376757e+00 1.195696401e+00 3.741670704e+00 1.92 -1.804335595e+00 7.650718036e-01 3.122902378e+00 1.94 -2.020428700e+00 3.667197088e-01 2.550743427e+00 1.96 -2.216343750e+00 -2.028503457e-03 2.021082109e+00 1.98 -2.393614497e+00 -3.435178616e-01 1.530325105e+00 2.00 -2.553636506e+00 -6.598111101e-01 1.075331155e+00 2.02 -2.697681144e+00 -9.527248480e-01 6.533528945e-01 2.04 -2.826908045e+00 -1.223852997e+00 2.619963943e-01 2.06 -2.942376209e+00 -1.474536779e+00 -1.007488662e-01 2.08 -3.045055730e+00 -1.705942542e+00 -4.366195699e-01 2.10 -3.135850748e+00 -1.919155815e+00 -7.472144605e-01 2.12 -3.215631791e+00 -2.115215475e+00 -1.034048378e+00 2.14 -3.285233404e+00 -2.295116280e+00 -1.298558314e+00 2.16 -3.345435996e+00 -2.459810097e+00 -1.542106483e+00 2.18 -3.396968172e+00 -2.610205927e+00 -1.765983368e+00 2.20 -3.440509847e+00 -2.747170487e+00 -1.971410742e+00 2.22 -3.476696181e+00 -2.871529225e+00 -2.159544633e+00 2.24 -3.506120370e+00 -2.984071690e+00 -2.331478234e+00 2.26 -3.529334957e+00 -3.085557638e+00 -2.488244744e+00 2.28 -3.546854262e+00 -3.176707537e+00 -2.630820137e+00 2.30 -3.559156754e+00 -3.258202455e+00 -2.760125845e+00 2.32 -3.566687288e+00 -3.330685754e+00 -2.877031362e+00 2.34 -3.569859225e+00 -3.394764747e+00 -2.982356757e+00 2.36 -3.569056420e+00 -3.451012330e+00 -3.076875105e+00 2.38 -3.564635116e+00 -3.499968565e+00 -3.161314819e+00 2.40 -3.556925711e+00 -3.542142230e+00 -3.236361903e+00 2.42 -3.546234435e+00 -3.578012317e+00 -3.302662108e+00 2.44 -3.532844924e+00 -3.608029489e+00 -3.360823008e+00 2.46 -3.517019705e+00 -3.632617509e+00 -3.411416014e+00 2.48 -3.499001585e+00 -3.652175129e+00 -3.454979075e+00 2.50 -3.479014963e+00 -3.667077315e+00 -3.492018366e+00 2.52 -3.457267128e+00 -3.677675923e+00 -3.523009155e+00 2.54 -3.433949296e+00 -3.684300902e+00 -3.548397439e+00 2.56 -3.409237786e+00 -3.687261456e+00 -3.568601534e+00 2.58 -3.383295984e+00 -3.686849739e+00 -3.584017456e+00 2.60 -3.356277659e+00 -3.683348207e+00 -3.595029783e+00 2.62 -3.328324543e+00 -3.677021803e+00 -3.601999769e+00 2.64 -3.299566314e+00 -3.668116633e+00 -3.605263208e+00 2.66 -3.270121497e+00 -3.656861192e+00 -3.605132104e+00 2.68 -3.240098291e+00 -3.643467498e+00 -3.601896229e+00 2.70 -3.209595355e+00 -3.628132171e+00 -3.595824590e+00 2.72 -3.178702526e+00 -3.611037445e+00 -3.587166797e+00 2.74 -3.147501499e+00 -3.592352114e+00 -3.576154354e+00 2.76 -3.116066456e+00 -3.572232430e+00 -3.563001857e+00 2.78 -3.084464649e+00 -3.550822938e+00 -3.547908130e+00 2.80 -3.052756944e+00 -3.528257263e+00 -3.531057278e+00 2.82 -3.020998329e+00 -3.504658855e+00 -3.512619683e+00 2.84 -2.989224529e+00 -3.480141676e+00 -3.492752926e+00 2.86 -2.956681544e+00 -3.454810853e+00 -3.471602661e+00 2.88 -2.921380408e+00 -3.428763290e+00 -3.449303427e+00 2.90 -2.889073284e+00 -3.402088237e+00 -3.425979407e+00 2.92 -2.857759038e+00 -3.374867828e+00 -3.401745148e+00 2.94 -2.826630514e+00 -3.347177580e+00 -3.376706221e+00 2.96 -2.795712493e+00 -3.319086862e+00 -3.350959845e+00 2.98 -2.765026843e+00 -3.290659339e+00 -3.324595477e+00 3.00 -2.734592769e+00 -3.261953378e+00 -3.297695352e+00 3.02 -2.704427055e+00 -3.232978793e+00 -3.270334995e+00 3.04 -2.674544285e+00 -3.203229473e+00 -3.242583696e+00 3.06 -2.644957042e+00 -3.172501085e+00 -3.214504961e+00 3.08 -2.615676095e+00 -3.143151804e+00 -3.186156920e+00 3.10 -2.586710573e+00 -3.113782474e+00 -3.157592725e+00 3.12 -2.558068126e+00 -3.084396547e+00 -3.128860906e+00 3.14 -2.529755062e+00 -3.055024536e+00 -3.100005713e+00 3.16 -2.501776492e+00 -3.025694116e+00 -3.071067432e+00 3.18 -2.474136445e+00 -2.996430344e+00 -3.042082680e+00 3.20 -2.446837983e+00 -2.967255862e+00 -3.013084678e+00 3.22 -2.419883306e+00 -2.938191090e+00 -2.984103514e+00 3.24 -2.393273844e+00 -2.909254405e+00 -2.955166374e+00 3.26 -2.367010342e+00 -2.880462303e+00 -2.926297770e+00 3.28 -2.341092944e+00 -2.851829557e+00 -2.897519748e+00 3.30 -2.315521258e+00 -2.823369355e+00 -2.868852078e+00 3.32 -2.290294422e+00 -2.795093435e+00 -2.840312435e+00 3.34 -2.265411167e+00 -2.767012206e+00 -2.811916568e+00 3.36 -2.240869865e+00 -2.739134866e+00 -2.783678456e+00 3.38 -2.216668577e+00 -2.711469500e+00 -2.755610448e+00 3.40 -2.192805100e+00 -2.684023183e+00 -2.727723403e+00 3.42 -2.169277000e+00 -2.656802068e+00 -2.700026813e+00 3.44 -2.146081647e+00 -2.629811469e+00 -2.672528918e+00 3.46 -2.123216249e+00 -2.603055940e+00 -2.645236812e+00 3.48 -2.100677873e+00 -2.576539340e+00 -2.618057421e+00 3.50 -2.078463470e+00 -2.550264905e+00 -2.588506161e+00 3.52 -2.056569897e+00 -2.524235304e+00 -2.550011171e+00 3.54 -2.034993929e+00 -2.498452696e+00 -2.513399303e+00 3.56 -2.013732280e+00 -2.472918778e+00 -2.487393785e+00 3.58 -1.992781607e+00 -2.447634834e+00 -2.461632024e+00 3.60 -1.972138523e+00 -2.422601776e+00 -2.436114551e+00 3.62 -1.951799606e+00 -2.397820183e+00 -2.410841406e+00 3.64 -1.931761400e+00 -2.373290338e+00 -2.385812188e+00 3.66 -1.912020420e+00 -2.349012257e+00 -2.361026105e+00 3.68 -1.892573153e+00 -2.324985721e+00 -2.336482019e+00 3.70 -1.873416058e+00 -2.301210302e+00 -2.312178487e+00 3.72 -1.854545562e+00 -2.277685387e+00 -2.288113798e+00 3.74 -1.835958060e+00 -2.254410198e+00 -2.264286011e+00 3.76 -1.817649907e+00 -2.231383812e+00 -2.240692985e+00 3.78 -1.799617413e+00 -2.208605182e+00 -2.217332405e+00 3.80 -1.781856836e+00 -2.186073146e+00 -2.194201815e+00 3.82 -1.764364373e+00 -2.163786448e+00 -2.171298635e+00 3.84 -1.747136151e+00 -2.141743742e+00 -2.148620191e+00 3.86 -1.730168219e+00 -2.119943610e+00 -2.126163724e+00 3.88 -1.713456531e+00 -2.098384566e+00 -2.103926420e+00 3.90 -1.696996943e+00 -2.077065065e+00 -2.081905418e+00 3.92 -1.680785192e+00 -2.055983513e+00 -2.060097826e+00 3.94 -1.664816888e+00 -2.035138265e+00 -2.038500736e+00 3.96 -1.649087504e+00 -2.014527638e+00 -2.017111237e+00 3.98 -1.633592354e+00 -1.994149907e+00 -1.995926420e+00 4.00 -1.618326590e+00 -1.974003311e+00 -1.974943393e+00 4.02 -1.603524263e+00 -1.954086056e+00 -1.954159287e+00 4.04 -1.592591015e+00 -1.934396310e+00 -1.933571261e+00 4.06 -1.593240562e+00 -1.914932209e+00 -1.913176513e+00 4.08 -1.600102030e+00 -1.895691853e+00 -1.892972283e+00 4.10 -1.586581575e+00 -1.876673307e+00 -1.872955855e+00 4.12 -1.572619310e+00 -1.857874597e+00 -1.853124566e+00 4.14 -1.558765498e+00 -1.839293706e+00 -1.833475808e+00 4.16 -1.545015429e+00 -1.820928578e+00 -1.814007029e+00 4.18 -1.531364252e+00 -1.802777105e+00 -1.794715735e+00 4.20 -1.517806990e+00 -1.784837131e+00 -1.775599495e+00 4.22 -1.504338555e+00 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-1.185524860e+00 4.94 -5.063918246e-02 -9.243914715e-01 -1.128687435e+00 4.96 -4.127865421e-02 -7.816562597e-01 -9.359152766e-01 4.98 -2.159887848e-02 -4.359846938e-01 -4.967658457e-01 5.00 -1.909694538e-23 -2.944655187e-22 -3.048565050e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 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