# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AuCu2Ta # 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 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.221561473e+02 2.221561473e+02 1.30 2.053229728e+02 2.053229728e+02 1.32 1.897443339e+02 1.897443339e+02 1.34 1.753196719e+02 1.753196719e+02 1.36 1.619576542e+02 1.619576542e+02 1.38 1.495743123e+02 1.495743123e+02 1.40 1.380926104e+02 1.380926104e+02 1.42 1.274426723e+02 1.274426723e+02 1.44 1.175618049e+02 1.175618049e+02 1.46 1.083940038e+02 1.083940038e+02 1.48 9.988888742e+01 9.988888742e+01 1.50 9.200008361e+01 9.200008361e+01 1.52 8.468342488e+01 8.468342488e+01 1.54 7.789574357e+01 7.789574357e+01 1.56 7.159488204e+01 7.159488204e+01 1.58 6.574073517e+01 6.574073517e+01 1.60 6.029655353e+01 6.029655353e+01 1.62 5.522976388e+01 5.522976388e+01 1.64 5.051197906e+01 5.051197906e+01 1.66 4.611836659e+01 4.611836659e+01 1.68 4.202681437e+01 4.202681437e+01 1.70 3.821848535e+01 3.821848535e+01 1.72 3.467917557e+01 3.467917557e+01 1.74 3.139655600e+01 3.139655600e+01 1.76 2.836254290e+01 2.836254290e+01 1.78 2.556079023e+01 2.556079023e+01 1.80 2.297557612e+01 2.297557612e+01 1.82 2.059185070e+01 2.059185070e+01 1.84 1.839535054e+01 1.839535054e+01 1.86 1.637261915e+01 1.637261915e+01 1.88 1.451109989e+01 1.451109989e+01 1.90 1.279910191e+01 1.279910191e+01 1.92 1.122564238e+01 1.122564238e+01 1.94 9.780251260e+00 9.780251260e+00 1.96 8.452838621e+00 8.452838621e+00 1.98 7.233684284e+00 7.233684284e+00 2.00 6.113548350e+00 6.113548350e+00 2.02 5.083850493e+00 5.083850493e+00 2.04 4.136841926e+00 4.136841926e+00 2.06 3.265702955e+00 3.265702955e+00 2.08 2.464535373e+00 2.464535373e+00 2.10 1.728262371e+00 1.728262371e+00 2.12 1.052475911e+00 1.052475911e+00 2.14 4.332742384e-01 4.332742384e-01 2.16 -1.328810946e-01 -1.328810946e-01 2.18 -6.492755401e-01 -6.492755401e-01 2.20 -1.119017319e+00 -1.119017319e+00 2.22 -1.545083171e+00 -1.545083171e+00 2.24 -1.930343183e+00 -1.930343183e+00 2.26 -2.277577147e+00 -2.277577147e+00 2.28 -2.589493668e+00 -2.589493668e+00 2.30 -2.868754635e+00 -2.868754635e+00 2.32 -3.117993931e+00 -3.117993931e+00 2.34 -3.339666886e+00 -3.339666886e+00 2.36 -3.536436577e+00 -3.536436577e+00 2.38 -3.710995971e+00 -3.710995971e+00 2.40 -3.865783429e+00 -3.865783429e+00 2.42 -4.002931266e+00 -4.002931266e+00 2.44 -4.124232923e+00 -4.124232923e+00 2.46 -4.230864177e+00 -4.230864177e+00 2.48 -4.323629461e+00 -4.323629461e+00 2.50 -4.403343430e+00 -4.403343430e+00 2.52 -4.470820843e+00 -4.470820843e+00 2.54 -4.526863462e+00 -4.526863462e+00 2.56 -4.572254215e+00 -4.572254215e+00 2.58 -4.607755219e+00 -4.607755219e+00 2.60 -4.634107081e+00 -4.634107081e+00 2.62 -4.652027829e+00 -4.652027829e+00 2.64 -4.662211055e+00 -4.662211055e+00 2.66 -4.665323704e+00 -4.665323704e+00 2.68 -4.662003921e+00 -4.662003921e+00 2.70 -4.652858357e+00 -4.652858357e+00 2.72 -4.638484409e+00 -4.638484409e+00 2.74 -4.619459213e+00 -4.619459213e+00 2.76 -4.596188462e+00 -4.596188462e+00 2.78 -4.569026433e+00 -4.569026433e+00 2.80 -4.538383919e+00 -4.538383919e+00 2.82 -4.504840166e+00 -4.504840166e+00 2.84 -4.468288223e+00 -4.468288223e+00 2.86 -4.428598717e+00 -4.428598717e+00 2.88 -4.385699751e+00 -4.385699751e+00 2.90 -4.339567410e+00 -4.339567410e+00 2.92 -4.290223792e+00 -4.290223792e+00 2.94 -4.237736553e+00 -4.237736553e+00 2.96 -4.182212772e+00 -4.182212772e+00 2.98 -4.123797432e+00 -4.123797432e+00 3.00 -4.062692830e+00 -4.062692830e+00 3.02 -3.999122779e+00 -3.999122779e+00 3.04 -3.933312371e+00 -3.933312371e+00 3.06 -3.865481421e+00 -3.865481421e+00 3.08 -3.795838152e+00 -3.795838152e+00 3.10 -3.724573662e+00 -3.724573662e+00 3.12 -3.651858018e+00 -3.651858018e+00 3.14 -3.577838829e+00 -3.577838829e+00 3.16 -3.502642795e+00 -3.502642795e+00 3.18 -3.426380202e+00 -3.426380202e+00 3.20 -3.349151801e+00 -3.349151801e+00 3.22 -3.271057052e+00 -3.271057052e+00 3.24 -3.192202499e+00 -3.192202499e+00 3.26 -3.112709012e+00 -3.112709012e+00 3.28 -3.032716742e+00 -3.032716742e+00 3.30 -2.952386969e+00 -2.952386969e+00 3.32 -2.871900413e+00 -2.871900413e+00 3.34 -2.791452134e+00 -2.791452134e+00 3.36 -2.711243646e+00 -2.711243646e+00 3.38 -2.631473325e+00 -2.631473325e+00 3.40 -2.552326432e+00 -2.552326432e+00 3.42 -2.473966059e+00 -2.473966059e+00 3.44 -2.396526073e+00 -2.396526073e+00 3.46 -2.320106716e+00 -2.320106716e+00 3.48 -2.244773102e+00 -2.244773102e+00 3.50 -2.170556411e+00 -2.170556411e+00 3.52 -2.097457355e+00 -2.097457355e+00 3.54 -2.025451321e+00 -2.025451321e+00 3.56 -1.954494638e+00 -1.954494638e+00 3.58 -1.884531448e+00 -1.884531448e+00 3.60 -1.815500814e+00 -1.815500814e+00 3.62 -1.747343775e+00 -1.747343775e+00 3.64 -1.680010153e+00 -1.680010153e+00 3.66 -1.613464917e+00 -1.613464917e+00 3.68 -1.547693928e+00 -1.547693928e+00 3.70 -1.482708810e+00 -1.482708810e+00 3.72 -1.418550641e+00 -1.418550641e+00 3.74 -1.355292095e+00 -1.355292095e+00 3.76 -1.293037653e+00 -1.293037653e+00 3.78 -1.231921552e+00 -1.231921552e+00 3.80 -1.172103256e+00 -1.172103256e+00 3.82 -1.113760479e+00 -1.113760479e+00 3.84 -1.057080101e+00 -1.057080101e+00 3.86 -1.002247606e+00 -1.002247606e+00 3.88 -9.494360213e-01 -9.494360213e-01 3.90 -8.987954202e-01 -8.987954202e-01 3.92 -8.504440921e-01 -8.504440921e-01 3.94 -8.044622169e-01 -8.044622169e-01 3.96 -7.608885360e-01 -7.608885360e-01 3.98 -7.197200902e-01 -7.197200902e-01 4.00 -6.809146886e-01 -6.809146886e-01 4.02 -6.443955114e-01 -6.443955114e-01 4.04 -6.100571115e-01 -6.100571115e-01 4.06 -5.777720903e-01 -5.777720903e-01 4.08 -5.473978343e-01 -5.473978343e-01 4.10 -5.187828572e-01 -5.187828572e-01 4.12 -4.917724714e-01 -4.917724714e-01 4.14 -4.662136432e-01 -4.662136432e-01 4.16 -4.419590322e-01 -4.419590322e-01 4.18 -4.188702532e-01 -4.188702532e-01 4.20 -3.968204537e-01 -3.968204537e-01 4.22 -3.756963005e-01 -3.756963005e-01 4.24 -3.553994518e-01 -3.553994518e-01 4.26 -3.358475682e-01 -3.358475682e-01 4.28 -3.169748847e-01 -3.169748847e-01 4.30 -2.987323402e-01 -2.987323402e-01 4.32 -2.810872409e-01 -2.810872409e-01 4.34 -2.640224225e-01 -2.640224225e-01 4.36 -2.475348794e-01 -2.475348794e-01 4.38 -2.316338441e-01 -2.316338441e-01 4.40 -2.163383334e-01 -2.163383334e-01 4.42 -2.016742263e-01 -2.016742263e-01 4.44 -1.876710017e-01 -1.876710017e-01 4.46 -1.743583261e-01 -1.743583261e-01 4.48 -1.617627361e-01 -1.617627361e-01 4.50 -1.499046775e-01 -1.499046775e-01 4.52 -1.387961524e-01 -1.387961524e-01 4.54 -1.284391549e-01 -1.284391549e-01 4.56 -1.188249909e-01 -1.188249909e-01 4.58 -1.099344647e-01 -1.099344647e-01 4.60 -1.017388164e-01 -1.017388164e-01 4.62 -9.420122675e-02 -9.420122675e-02 4.64 -8.727868518e-02 -8.727868518e-02 4.66 -8.092399709e-02 -8.092399709e-02 4.68 -7.508774013e-02 -7.508774013e-02 4.70 -6.972003926e-02 -6.972003926e-02 4.72 -6.477187827e-02 -6.477187827e-02 4.74 -6.019653889e-02 -6.019653889e-02 4.76 -5.595105917e-02 -5.595105917e-02 4.78 -5.199634922e-02 -5.199634922e-02 4.80 -4.829749193e-02 -4.829749193e-02 4.82 -4.482404357e-02 -4.482404357e-02 4.84 -4.155013143e-02 -4.155013143e-02 4.86 -3.845439959e-02 -3.845439959e-02 4.88 -3.551982113e-02 -3.551982113e-02 4.90 -3.273339989e-02 -3.273339989e-02 4.92 -3.008577543e-02 -3.008577543e-02 4.94 -2.757074400e-02 -2.757074400e-02 4.96 -2.518471099e-02 -2.518471099e-02 4.98 -2.292609384e-02 -2.292609384e-02 5.00 -2.079470242e-02 -2.079470242e-02 5.02 -1.879112753e-02 -1.879112753e-02 5.04 -1.691616975e-02 -1.691616975e-02 5.06 -1.517034050e-02 -1.517034050e-02 5.08 -1.355346126e-02 -1.355346126e-02 5.10 -1.206423087e-02 -1.206423087e-02 5.12 -1.070025639e-02 -1.070025639e-02 5.14 -9.458209303e-03 -9.458209303e-03 5.16 -8.333574477e-03 -8.333574477e-03 5.18 -7.320791264e-03 -7.320791264e-03 5.20 -6.413451006e-03 -6.413451006e-03 5.22 -5.604522779e-03 -5.604522779e-03 5.24 -4.886584789e-03 -4.886584789e-03 5.26 -4.252043535e-03 -4.252043535e-03 5.28 -3.693328219e-03 -3.693328219e-03 5.30 -3.203053114e-03 -3.203053114e-03 5.32 -2.774145001e-03 -2.774145001e-03 5.34 -2.399936251e-03 -2.399936251e-03 5.36 -2.074226456e-03 -2.074226456e-03 5.38 -1.791316889e-03 -1.791316889e-03 5.40 -1.546022675e-03 -1.546022675e-03 5.42 -1.333667557e-03 -1.333667557e-03 5.44 -1.150065772e-03 -1.150065772e-03 5.46 -9.914949964e-04 -9.914949964e-04 5.48 -8.546636351e-04 -8.546636351e-04 5.50 -7.366750687e-04 -7.366750687e-04 5.52 -6.349908665e-04 -6.349908665e-04 5.54 -5.473944295e-04 -5.473944295e-04 5.56 -4.719560864e-04 -4.719560864e-04 5.58 -4.070003076e-04 -4.070003076e-04 5.60 -3.510754277e-04 -3.510754277e-04 5.62 -3.029260581e-04 -3.029260581e-04 5.64 -2.614682222e-04 -2.614682222e-04 5.66 -2.257671445e-04 -2.257671445e-04 5.68 -1.950175536e-04 -1.950175536e-04 5.70 -1.685263216e-04 -1.685263216e-04 5.72 -1.456972397e-04 -1.456972397e-04 5.74 -1.260177243e-04 -1.260177243e-04 5.76 -1.090472483e-04 -1.090472483e-04 5.78 -9.440730577e-05 -9.440730577e-05 5.80 -8.177272579e-05 -8.177272579e-05 5.82 -7.086417196e-05 -7.086417196e-05 5.84 -6.144167496e-05 -6.144167496e-05 5.86 -5.329906455e-05 -5.329906455e-05 5.88 -4.625918129e-05 -4.625918129e-05 5.90 -4.016976244e-05 -4.016976244e-05 5.92 -3.489990981e-05 -3.489990981e-05 5.94 -3.033705892e-05 -3.033705892e-05 5.96 -2.638437931e-05 -2.638437931e-05 5.98 -2.295854550e-05 -2.295854550e-05 6.00 -1.998782594e-05 -1.998782594e-05