# 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 = AgAuCu2 # 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 1.877394077e+02 1.877394077e+02 1.30 1.732239811e+02 1.732239811e+02 1.32 1.598162154e+02 1.598162154e+02 1.34 1.474287801e+02 1.474287801e+02 1.36 1.359805312e+02 1.359805312e+02 1.38 1.253958732e+02 1.253958732e+02 1.40 1.156049270e+02 1.156049270e+02 1.42 1.065437037e+02 1.065437037e+02 1.44 9.815388813e+01 9.815388813e+01 1.46 9.038238673e+01 9.038238673e+01 1.48 8.318092848e+01 8.318092848e+01 1.50 7.650574602e+01 7.650574602e+01 1.52 7.031708324e+01 7.031708324e+01 1.54 6.457841197e+01 6.457841197e+01 1.56 5.925566047e+01 5.925566047e+01 1.58 5.431686439e+01 5.431686439e+01 1.60 4.973709177e+01 4.973709177e+01 1.62 4.549916535e+01 4.549916535e+01 1.64 4.157862063e+01 4.157862063e+01 1.66 3.795205513e+01 3.795205513e+01 1.68 3.459777096e+01 3.459777096e+01 1.70 3.149582559e+01 3.149582559e+01 1.72 2.862779109e+01 2.862779109e+01 1.74 2.597666962e+01 2.597666962e+01 1.76 2.352681145e+01 2.352681145e+01 1.78 2.126377311e+01 2.126377311e+01 1.80 1.917412071e+01 1.917412071e+01 1.82 1.724525767e+01 1.724525767e+01 1.84 1.546534752e+01 1.546534752e+01 1.86 1.382331778e+01 1.382331778e+01 1.88 1.230887595e+01 1.230887595e+01 1.90 1.091248933e+01 1.091248933e+01 1.92 9.625328378e+00 9.625328378e+00 1.94 8.439201854e+00 8.439201854e+00 1.96 7.346509427e+00 7.346509427e+00 1.98 6.340220459e+00 6.340220459e+00 2.00 5.413870968e+00 5.413870968e+00 2.02 4.561561303e+00 4.561561303e+00 2.04 3.777934532e+00 3.777934532e+00 2.06 3.058123653e+00 3.058123653e+00 2.08 2.397673761e+00 2.397673761e+00 2.10 1.792459926e+00 1.792459926e+00 2.12 1.238620647e+00 1.238620647e+00 2.14 7.325144136e-01 7.325144136e-01 2.16 2.706957519e-01 2.706957519e-01 2.18 -1.500960016e-01 -1.500960016e-01 2.20 -5.329395556e-01 -5.329395556e-01 2.22 -8.807282530e-01 -8.807282530e-01 2.24 -1.196163656e+00 -1.196163656e+00 2.26 -1.481752463e+00 -1.481752463e+00 2.28 -1.739813441e+00 -1.739813441e+00 2.30 -1.972495453e+00 -1.972495453e+00 2.32 -2.181799143e+00 -2.181799143e+00 2.34 -2.369590737e+00 -2.369590737e+00 2.36 -2.537601770e+00 -2.537601770e+00 2.38 -2.687419108e+00 -2.687419108e+00 2.40 -2.820476789e+00 -2.820476789e+00 2.42 -2.938059429e+00 -2.938059429e+00 2.44 -3.041319284e+00 -3.041319284e+00 2.46 -3.131302004e+00 -3.131302004e+00 2.48 -3.208973803e+00 -3.208973803e+00 2.50 -3.275246583e+00 -3.275246583e+00 2.52 -3.331066788e+00 -3.331066788e+00 2.54 -3.377239297e+00 -3.377239297e+00 2.56 -3.414502073e+00 -3.414502073e+00 2.58 -3.443616463e+00 -3.443616463e+00 2.60 -3.465780748e+00 -3.465780748e+00 2.62 -3.481456215e+00 -3.481456215e+00 2.64 -3.490825714e+00 -3.490825714e+00 2.66 -3.494143351e+00 -3.494143351e+00 2.68 -3.491712482e+00 -3.491712482e+00 2.70 -3.483870038e+00 -3.483870038e+00 2.72 -3.471040432e+00 -3.471040432e+00 2.74 -3.453633557e+00 -3.453633557e+00 2.76 -3.431973866e+00 -3.431973866e+00 2.78 -3.406393329e+00 -3.406393329e+00 2.80 -3.377192858e+00 -3.377192858e+00 2.82 -3.344636538e+00 -3.344636538e+00 2.84 -3.308953361e+00 -3.308953361e+00 2.86 -3.270344662e+00 -3.270344662e+00 2.88 -3.228995953e+00 -3.228995953e+00 2.90 -3.185093173e+00 -3.185093173e+00 2.92 -3.138825959e+00 -3.138825959e+00 2.94 -3.090392226e+00 -3.090392226e+00 2.96 -3.040003220e+00 -3.040003220e+00 2.98 -2.987886215e+00 -2.987886215e+00 3.00 -2.934284930e+00 -2.934284930e+00 3.02 -2.879457484e+00 -2.879457484e+00 3.04 -2.823671636e+00 -2.823671636e+00 3.06 -2.767197245e+00 -2.767197245e+00 3.08 -2.710296460e+00 -2.710296460e+00 3.10 -2.653212871e+00 -2.653212871e+00 3.12 -2.596161370e+00 -2.596161370e+00 3.14 -2.539320519e+00 -2.539320519e+00 3.16 -2.482828646e+00 -2.482828646e+00 3.18 -2.426784042e+00 -2.426784042e+00 3.20 -2.371248682e+00 -2.371248682e+00 3.22 -2.316254387e+00 -2.316254387e+00 3.24 -2.261810206e+00 -2.261810206e+00 3.26 -2.207909957e+00 -2.207909957e+00 3.28 -2.154539219e+00 -2.154539219e+00 3.30 -2.101681317e+00 -2.101681317e+00 3.32 -2.049322114e+00 -2.049322114e+00 3.34 -1.997453493e+00 -1.997453493e+00 3.36 -1.946075528e+00 -1.946075528e+00 3.38 -1.895197413e+00 -1.895197413e+00 3.40 -1.844837251e+00 -1.844837251e+00 3.42 -1.795020921e+00 -1.795020921e+00 3.44 -1.745780246e+00 -1.745780246e+00 3.46 -1.697150762e+00 -1.697150762e+00 3.48 -1.649169353e+00 -1.649169353e+00 3.50 -1.601871989e+00 -1.601871989e+00 3.52 -1.555291764e+00 -1.555291764e+00 3.54 -1.509457358e+00 -1.509457358e+00 3.56 -1.464391989e+00 -1.464391989e+00 3.58 -1.420112887e+00 -1.420112887e+00 3.60 -1.376631269e+00 -1.376631269e+00 3.62 -1.333952805e+00 -1.333952805e+00 3.64 -1.292078519e+00 -1.292078519e+00 3.66 -1.251006079e+00 -1.251006079e+00 3.68 -1.210731407e+00 -1.210731407e+00 3.70 -1.171250508e+00 -1.171250508e+00 3.72 -1.132561377e+00 -1.132561377e+00 3.74 -1.094665809e+00 -1.094665809e+00 3.76 -1.057570856e+00 -1.057570856e+00 3.78 -1.021289713e+00 -1.021289713e+00 3.80 -9.858417629e-01 -9.858417629e-01 3.82 -9.512516447e-01 -9.512516447e-01 3.84 -9.175473199e-01 -9.175473199e-01 3.86 -8.847572918e-01 -8.847572918e-01 3.88 -8.529073150e-01 -8.529073150e-01 3.90 -8.220170549e-01 -8.220170549e-01 3.92 -7.920971813e-01 -7.920971813e-01 3.94 -7.631473054e-01 -7.631473054e-01 3.96 -7.351549891e-01 -7.351549891e-01 3.98 -7.080958712e-01 -7.080958712e-01 4.00 -6.819347542e-01 -6.819347542e-01 4.02 -6.566273908e-01 -6.566273908e-01 4.04 -6.321226655e-01 -6.321226655e-01 4.06 -6.083648991e-01 -6.083648991e-01 4.08 -5.852960742e-01 -5.852960742e-01 4.10 -5.628578640e-01 -5.628578640e-01 4.12 -5.409934325e-01 -5.409934325e-01 4.14 -5.196489904e-01 -5.196489904e-01 4.16 -4.987751835e-01 -4.987751835e-01 4.18 -4.783283267e-01 -4.783283267e-01 4.20 -4.582715264e-01 -4.582715264e-01 4.22 -4.385756922e-01 -4.385756922e-01 4.24 -4.192204186e-01 -4.192204186e-01 4.26 -4.001946845e-01 -4.001946845e-01 4.28 -3.814973046e-01 -3.814973046e-01 4.30 -3.631370559e-01 -3.631370559e-01 4.32 -3.451324054e-01 -3.451324054e-01 4.34 -3.275107821e-01 -3.275107821e-01 4.36 -3.103073607e-01 -3.103073607e-01 4.38 -2.935633601e-01 -2.935633601e-01 4.40 -2.773238988e-01 -2.773238988e-01 4.42 -2.616354982e-01 -2.616354982e-01 4.44 -2.465433684e-01 -2.465433684e-01 4.46 -2.320886577e-01 -2.320886577e-01 4.48 -2.183058764e-01 -2.183058764e-01 4.50 -2.052207090e-01 -2.052207090e-01 4.52 -1.928484071e-01 -1.928484071e-01 4.54 -1.811928958e-01 -1.811928958e-01 4.56 -1.702466468e-01 -1.702466468e-01 4.58 -1.599912837e-01 -1.599912837e-01 4.60 -1.503988055e-01 -1.503988055e-01 4.62 -1.414332613e-01 -1.414332613e-01 4.64 -1.330526863e-01 -1.330526863e-01 4.66 -1.252111154e-01 -1.252111154e-01 4.68 -1.178605219e-01 -1.178605219e-01 4.70 -1.109525794e-01 -1.109525794e-01 4.72 -1.044401541e-01 -1.044401541e-01 4.74 -9.827805017e-02 -9.827805017e-02 4.76 -9.242527044e-02 -9.242527044e-02 4.78 -8.684511565e-02 -8.684511565e-02 4.80 -8.150534859e-02 -8.150534859e-02 4.82 -7.637863421e-02 -7.637863421e-02 4.84 -7.144276541e-02 -7.144276541e-02 4.86 -6.668072616e-02 -6.668072616e-02 4.88 -6.208058950e-02 -6.208058950e-02 4.90 -5.763526362e-02 -5.763526362e-02 4.92 -5.334208619e-02 -5.334208619e-02 4.94 -4.920227039e-02 -4.920227039e-02 4.96 -4.522021315e-02 -4.522021315e-02 4.98 -4.140268801e-02 -4.140268801e-02 5.00 -3.775795855e-02 -3.775795855e-02 5.02 -3.429486074e-02 -3.429486074e-02 5.04 -3.102191107e-02 -3.102191107e-02 5.06 -2.794649932e-02 -2.794649932e-02 5.08 -2.507421867e-02 -2.507421867e-02 5.10 -2.240837347e-02 -2.240837347e-02 5.12 -1.994968402e-02 -1.994968402e-02 5.14 -1.769619416e-02 -1.769619416e-02 5.16 -1.564336130e-02 -1.564336130e-02 5.18 -1.378429727e-02 -1.378429727e-02 5.20 -1.211005637e-02 -1.211005637e-02 5.22 -1.060991599e-02 -1.060991599e-02 5.24 -9.272459457e-03 -9.272459457e-03 5.26 -8.085539991e-03 -8.085539991e-03 5.28 -7.036628387e-03 -7.036628387e-03 5.30 -6.113181594e-03 -6.113181594e-03 5.32 -5.302941809e-03 -5.302941809e-03 5.34 -4.594165520e-03 -4.594165520e-03 5.36 -3.975787099e-03 -3.975787099e-03 5.38 -3.437524704e-03 -3.437524704e-03 5.40 -2.969937810e-03 -2.969937810e-03 5.42 -2.564446007e-03 -2.564446007e-03 5.44 -2.213318197e-03 -2.213318197e-03 5.46 -1.909640310e-03 -1.909640310e-03 5.48 -1.647268436e-03 -1.647268436e-03 5.50 -1.420772957e-03 -1.420772957e-03 5.52 -1.225378054e-03 -1.225378054e-03 5.54 -1.056899894e-03 -1.056899894e-03 5.56 -9.116858454e-04 -9.116858454e-04 5.58 -7.865563806e-04 -7.865563806e-04 5.60 -6.787506673e-04 -6.787506673e-04 5.62 -5.858764628e-04 -5.858764628e-04 5.64 -5.058645519e-04 -5.058645519e-04 5.66 -4.369277497e-04 -4.369277497e-04 5.68 -3.775243253e-04 -3.775243253e-04 5.70 -3.263255979e-04 -3.263255979e-04 5.72 -2.821873960e-04 -2.821873960e-04 5.74 -2.441250413e-04 -2.441250413e-04 5.76 -2.112915095e-04 -2.112915095e-04 5.78 -1.829584309e-04 -1.829584309e-04 5.80 -1.584996058e-04 -1.584996058e-04 5.82 -1.373767382e-04 -1.373767382e-04 5.84 -1.191271111e-04 -1.191271111e-04 5.86 -1.033529581e-04 -1.033529581e-04 5.88 -8.971230926e-05 -8.971230926e-05 5.90 -7.791111534e-05 -7.791111534e-05 5.92 -6.769647784e-05 -6.769647784e-05 5.94 -5.885083370e-05 -5.885083370e-05 5.96 -5.118696243e-05 -5.118696243e-05 5.98 -4.454370119e-05 -4.454370119e-05 6.00 -3.878226837e-05 -3.878226837e-05