# 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 = Ag2CuPt # 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 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 5.680430358e+06 5.680430358e+06 0.88 5.175523008e+06 5.175523008e+06 0.90 4.715145234e+06 4.715145234e+06 0.92 4.294596894e+06 4.294596894e+06 0.94 3.909703354e+06 3.909703354e+06 0.96 3.556850008e+06 3.556850008e+06 0.98 3.232759504e+06 3.232759504e+06 1.00 2.934618793e+06 2.934618793e+06 1.02 2.659915385e+06 2.659915385e+06 1.04 2.406463560e+06 2.406463560e+06 1.06 2.172300343e+06 2.172300343e+06 1.08 1.955668768e+06 1.955668768e+06 1.10 1.754979109e+06 1.754979109e+06 1.12 1.568843255e+06 1.568843255e+06 1.14 1.396007265e+06 1.396007265e+06 1.16 1.235311329e+06 1.235311329e+06 1.18 1.085736064e+06 1.085736064e+06 1.20 9.463797598e+05 9.463797598e+05 1.22 8.164011000e+05 8.164011000e+05 1.24 6.951191256e+05 6.951191256e+05 1.26 5.843151614e+05 5.843151614e+05 1.28 4.837269308e+05 4.837269308e+05 1.30 3.920630343e+05 3.920630343e+05 1.32 3.119988910e+05 3.119988910e+05 1.34 2.482558600e+05 2.482558600e+05 1.36 1.978264275e+05 1.978264275e+05 1.38 1.578572362e+05 1.578572362e+05 1.40 1.261231491e+05 1.261231491e+05 1.42 1.008905683e+05 1.008905683e+05 1.44 8.079822492e+04 8.079822492e+04 1.46 6.477643763e+04 6.477643763e+04 1.48 5.198165938e+04 5.198165938e+04 1.50 4.174904149e+04 4.174904149e+04 1.52 3.355618199e+04 3.355618199e+04 1.54 2.699017896e+04 2.699017896e+04 1.56 2.172280161e+04 2.172280161e+04 1.58 1.749296193e+04 1.749296193e+04 1.60 1.409353161e+04 1.409353161e+04 1.62 1.135938319e+04 1.135938319e+04 1.64 9.158882761e+03 9.158882761e+03 1.66 7.386422795e+03 7.386422795e+03 1.68 5.957622868e+03 5.957622868e+03 1.70 4.805261354e+03 4.805261354e+03 1.72 3.875645177e+03 3.875645177e+03 1.74 3.125560996e+03 3.125560996e+03 1.76 2.520189992e+03 2.520189992e+03 1.78 2.031559939e+03 2.031559939e+03 1.80 1.637141333e+03 1.637141333e+03 1.82 1.318777344e+03 1.318777344e+03 1.84 1.061812539e+03 1.061812539e+03 1.86 8.544487371e+02 8.544487371e+02 1.88 6.871548994e+02 6.871548994e+02 1.90 5.522178288e+02 5.522178288e+02 1.92 4.434100424e+02 4.434100424e+02 1.94 3.557067494e+02 3.557067494e+02 1.96 2.850440343e+02 2.850440343e+02 1.98 2.281410046e+02 2.281410046e+02 2.00 1.823336067e+02 1.823336067e+02 2.02 1.454622994e+02 1.454622994e+02 2.04 1.158030160e+02 1.158030160e+02 2.06 9.196477094e+01 9.196477094e+01 2.08 7.282132495e+01 7.282132495e+01 2.10 5.746124392e+01 5.746124392e+01 2.12 4.514699928e+01 4.514699928e+01 2.14 3.528297333e+01 3.528297333e+01 2.16 2.738806180e+01 2.738806180e+01 2.18 2.107323142e+01 2.107323142e+01 2.20 1.602507825e+01 1.602507825e+01 2.22 1.199089250e+01 1.199089250e+01 2.24 8.769400705e+00 8.769400705e+00 2.26 6.198443880e+00 6.198443880e+00 2.28 4.147664978e+00 4.147664978e+00 2.30 2.512471479e+00 2.512471479e+00 2.32 1.208929751e+00 1.208929751e+00 2.34 1.697979926e-01 1.697979926e-01 2.36 -6.586966741e-01 -6.586966741e-01 2.38 -1.319473950e+00 -1.319473950e+00 2.40 -1.846726935e+00 -1.846726935e+00 2.42 -2.267642790e+00 -2.267642790e+00 2.44 -2.603794447e+00 -2.603794447e+00 2.46 -2.872271149e+00 -2.872271149e+00 2.48 -3.086566367e+00 -3.086566367e+00 2.50 -3.257309610e+00 -3.257309610e+00 2.52 -3.392863001e+00 -3.392863001e+00 2.54 -3.499816924e+00 -3.499816924e+00 2.56 -3.583356365e+00 -3.583356365e+00 2.58 -3.647558394e+00 -3.647558394e+00 2.60 -3.695631497e+00 -3.695631497e+00 2.62 -3.730072351e+00 -3.730072351e+00 2.64 -3.752838446e+00 -3.752838446e+00 2.66 -3.765517729e+00 -3.765517729e+00 2.68 -3.769386977e+00 -3.769386977e+00 2.70 -3.765483294e+00 -3.765483294e+00 2.72 -3.754656478e+00 -3.754656478e+00 2.74 -3.737611050e+00 -3.737611050e+00 2.76 -3.714953222e+00 -3.714953222e+00 2.78 -3.687208553e+00 -3.687208553e+00 2.80 -3.654841137e+00 -3.654841137e+00 2.82 -3.618268352e+00 -3.618268352e+00 2.84 -3.577841700e+00 -3.577841700e+00 2.86 -3.533868172e+00 -3.533868172e+00 2.88 -3.486677184e+00 -3.486677184e+00 2.90 -3.436581393e+00 -3.436581393e+00 2.92 -3.383878225e+00 -3.383878225e+00 2.94 -3.328851783e+00 -3.328851783e+00 2.96 -3.271730760e+00 -3.271730760e+00 2.98 -3.212659685e+00 -3.212659685e+00 3.00 -3.151877022e+00 -3.151877022e+00 3.02 -3.089616957e+00 -3.089616957e+00 3.04 -3.026103657e+00 -3.026103657e+00 3.06 -2.961543449e+00 -2.961543449e+00 3.08 -2.896096541e+00 -2.896096541e+00 3.10 -2.829949212e+00 -2.829949212e+00 3.12 -2.763284357e+00 -2.763284357e+00 3.14 -2.696274810e+00 -2.696274810e+00 3.16 -2.629083367e+00 -2.629083367e+00 3.18 -2.561862840e+00 -2.561862840e+00 3.20 -2.494756154e+00 -2.494756154e+00 3.22 -2.427896487e+00 -2.427896487e+00 3.24 -2.361407452e+00 -2.361407452e+00 3.26 -2.295403311e+00 -2.295403311e+00 3.28 -2.229989229e+00 -2.229989229e+00 3.30 -2.165261549e+00 -2.165261549e+00 3.32 -2.101305729e+00 -2.101305729e+00 3.34 -2.038173874e+00 -2.038173874e+00 3.36 -1.975930449e+00 -1.975930449e+00 3.38 -1.914640504e+00 -1.914640504e+00 3.40 -1.854362022e+00 -1.854362022e+00 3.42 -1.795146278e+00 -1.795146278e+00 3.44 -1.737038197e+00 -1.737038197e+00 3.46 -1.680072550e+00 -1.680072550e+00 3.48 -1.624221437e+00 -1.624221437e+00 3.50 -1.569493236e+00 -1.569493236e+00 3.52 -1.515912035e+00 -1.515912035e+00 3.54 -1.463497496e+00 -1.463497496e+00 3.56 -1.412265155e+00 -1.412265155e+00 3.58 -1.362226721e+00 -1.362226721e+00 3.60 -1.313390354e+00 -1.313390354e+00 3.62 -1.265760942e+00 -1.265760942e+00 3.64 -1.219340356e+00 -1.219340356e+00 3.66 -1.174127697e+00 -1.174127697e+00 3.68 -1.130119537e+00 -1.130119537e+00 3.70 -1.087310135e+00 -1.087310135e+00 3.72 -1.045691650e+00 -1.045691650e+00 3.74 -1.005254342e+00 -1.005254342e+00 3.76 -9.659867575e-01 -9.659867575e-01 3.78 -9.278759052e-01 -9.278759052e-01 3.80 -8.909074226e-01 -8.909074226e-01 3.82 -8.550657289e-01 -8.550657289e-01 3.84 -8.203341703e-01 -8.203341703e-01 3.86 -7.866951539e-01 -7.866951539e-01 3.88 -7.541302728e-01 -7.541302728e-01 3.90 -7.226204221e-01 -7.226204221e-01 3.92 -6.921459065e-01 -6.921459065e-01 3.94 -6.626865395e-01 -6.626865395e-01 3.96 -6.342217351e-01 -6.342217351e-01 3.98 -6.067305924e-01 -6.067305924e-01 4.00 -5.801919726e-01 -5.801919726e-01 4.02 -5.545845705e-01 -5.545845705e-01 4.04 -5.298869792e-01 -5.298869792e-01 4.06 -5.060777493e-01 -5.060777493e-01 4.08 -4.831354426e-01 -4.831354426e-01 4.10 -4.610386812e-01 -4.610386812e-01 4.12 -4.397661912e-01 -4.397661912e-01 4.14 -4.192968429e-01 -4.192968429e-01 4.16 -3.996096859e-01 -3.996096859e-01 4.18 -3.806839814e-01 -3.806839814e-01 4.20 -3.624992303e-01 -3.624992303e-01 4.22 -3.450351981e-01 -3.450351981e-01 4.24 -3.282719374e-01 -3.282719374e-01 4.26 -3.121898066e-01 -3.121898066e-01 4.28 -2.967694868e-01 -2.967694868e-01 4.30 -2.819919962e-01 -2.819919962e-01 4.32 -2.678359569e-01 -2.678359569e-01 4.34 -2.542525302e-01 -2.542525302e-01 4.36 -2.412163864e-01 -2.412163864e-01 4.38 -2.287113377e-01 -2.287113377e-01 4.40 -2.167215468e-01 -2.167215468e-01 4.42 -2.052315300e-01 -2.052315300e-01 4.44 -1.942261593e-01 -1.942261593e-01 4.46 -1.836906628e-01 -1.836906628e-01 4.48 -1.736106249e-01 -1.736106249e-01 4.50 -1.639719848e-01 -1.639719848e-01 4.52 -1.547610354e-01 -1.547610354e-01 4.54 -1.459644201e-01 -1.459644201e-01 4.56 -1.375691305e-01 -1.375691305e-01 4.58 -1.295625020e-01 -1.295625020e-01 4.60 -1.219322107e-01 -1.219322107e-01 4.62 -1.146662680e-01 -1.146662680e-01 4.64 -1.077530170e-01 -1.077530170e-01 4.66 -1.011811266e-01 -1.011811266e-01 4.68 -9.493958375e-02 -9.493958375e-02 4.70 -8.901496244e-02 -8.901496244e-02 4.72 -8.339021382e-02 -8.339021382e-02 4.74 -7.805536331e-02 -7.805536331e-02 4.76 -7.300105472e-02 -7.300105472e-02 4.78 -6.821789181e-02 -6.821789181e-02 4.80 -6.369702032e-02 -6.369702032e-02 4.82 -5.943012462e-02 -5.943012462e-02 4.84 -5.540904949e-02 -5.540904949e-02 4.86 -5.162581987e-02 -5.162581987e-02 4.88 -4.807265553e-02 -4.807265553e-02 4.90 -4.473292128e-02 -4.473292128e-02 4.92 -4.157988388e-02 -4.157988388e-02 4.94 -3.860674011e-02 -3.860674011e-02 4.96 -3.580759039e-02 -3.580759039e-02 4.98 -3.317671442e-02 -3.317671442e-02 5.00 -3.069358670e-02 -3.069358670e-02 5.02 -2.833854480e-02 -2.833854480e-02 5.04 -2.610739520e-02 -2.610739520e-02 5.06 -2.399607612e-02 -2.399607612e-02 5.08 -2.200065386e-02 -2.200065386e-02 5.10 -2.011731921e-02 -2.011731921e-02 5.12 -1.834238397e-02 -1.834238397e-02 5.14 -1.667227751e-02 -1.667227751e-02 5.16 -1.510345975e-02 -1.510345975e-02 5.18 -1.363229968e-02 -1.363229968e-02 5.20 -1.225569764e-02 -1.225569764e-02 5.22 -1.097066275e-02 -1.097066275e-02 5.24 -9.774265230e-03 -9.774265230e-03 5.26 -8.663640913e-03 -8.663640913e-03 5.28 -7.635994710e-03 -7.635994710e-03 5.30 -6.688603182e-03 -6.688603182e-03 5.32 -5.818816339e-03 -5.818816339e-03 5.34 -5.024058764e-03 -5.024058764e-03 5.36 -4.301830164e-03 -4.301830164e-03 5.38 -3.649705440e-03 -3.649705440e-03 5.40 -3.065334342e-03 -3.065334342e-03 5.42 -2.545161903e-03 -2.545161903e-03 5.44 -2.079478845e-03 -2.079478845e-03 5.46 -1.665291687e-03 -1.665291687e-03 5.48 -1.300956442e-03 -1.300956442e-03 5.50 -9.848800438e-04 -9.848800438e-04 5.52 -7.155194417e-04 -7.155194417e-04 5.54 -4.913805699e-04 -4.913805699e-04 5.56 -3.110172133e-04 -3.110172133e-04 5.58 -1.730297953e-04 -1.730297953e-04 5.60 -7.606410618e-05 -7.606410618e-05 5.62 -1.880998927e-05 -1.880998927e-05 5.64 4.849652198e-11 4.849652199e-11 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00