# 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 = 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 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 3.737680433e+06 3.737680433e+06 0.88 3.390679556e+06 3.390679556e+06 0.90 3.074147567e+06 3.074147567e+06 0.92 2.784889057e+06 2.784889057e+06 0.94 2.520063028e+06 2.520063028e+06 0.96 2.277203198e+06 2.277203198e+06 0.98 2.054033007e+06 2.054033007e+06 1.00 1.848637850e+06 1.848637850e+06 1.02 1.659287906e+06 1.659287906e+06 1.04 1.484487297e+06 1.484487297e+06 1.06 1.322911812e+06 1.322911812e+06 1.08 1.173347172e+06 1.173347172e+06 1.10 1.034714398e+06 1.034714398e+06 1.12 9.060816379e+05 9.060816379e+05 1.14 7.865826205e+05 7.865826205e+05 1.16 6.754043470e+05 6.754043470e+05 1.18 5.718461442e+05 5.718461442e+05 1.20 4.752948799e+05 4.752948799e+05 1.22 3.857697729e+05 3.857697729e+05 1.24 3.062146358e+05 3.062146358e+05 1.26 2.424432539e+05 2.424432539e+05 1.28 1.923199923e+05 1.923199923e+05 1.30 1.528347207e+05 1.528347207e+05 1.32 1.216626717e+05 1.216626717e+05 1.34 9.699664702e+04 9.699664702e+04 1.36 7.744449707e+04 7.744449707e+04 1.38 6.191761689e+04 6.191761689e+04 1.40 4.956452292e+04 4.956452292e+04 1.42 3.972281150e+04 3.972281150e+04 1.44 3.187127238e+04 3.187127238e+04 1.46 2.559840896e+04 2.559840896e+04 1.48 2.057823083e+04 2.057823083e+04 1.50 1.655462759e+04 1.655462759e+04 1.52 1.332642103e+04 1.332642103e+04 1.54 1.073413049e+04 1.073413049e+04 1.56 8.650553379e+03 8.650553379e+03 1.58 6.974459837e+03 6.974459837e+03 1.60 5.625341157e+03 5.625341157e+03 1.62 4.538806911e+03 4.538806911e+03 1.64 3.663234820e+03 3.663234820e+03 1.66 2.957145359e+03 2.957145359e+03 1.68 2.387175815e+03 2.387175815e+03 1.70 1.926829023e+03 1.926829023e+03 1.72 1.554989002e+03 1.554989002e+03 1.74 1.254616002e+03 1.254616002e+03 1.76 1.011950990e+03 1.011950990e+03 1.78 8.158855404e+02 8.158855404e+02 1.80 6.574626449e+02 6.574626449e+02 1.82 5.294860250e+02 5.294860250e+02 1.84 4.261337571e+02 4.261337571e+02 1.86 3.426949328e+02 3.426949328e+02 1.88 2.753570223e+02 2.753570223e+02 1.90 2.210237126e+02 2.210237126e+02 1.92 1.771973520e+02 1.771973520e+02 1.94 1.418622146e+02 1.418622146e+02 1.96 1.133792830e+02 1.133792830e+02 1.98 9.043381417e+01 9.043381417e+01 2.00 7.195439471e+01 7.195439471e+01 2.02 5.707409066e+01 5.707409066e+01 2.04 4.510145079e+01 4.510145079e+01 2.06 3.547691088e+01 3.547691088e+01 2.08 2.774663207e+01 2.774663207e+01 2.10 2.154283385e+01 2.154283385e+01 2.12 1.656775114e+01 1.656775114e+01 2.14 1.258054972e+01 1.258054972e+01 2.16 9.386650796e+00 9.386650796e+00 2.18 6.828867612e+00 6.828867612e+00 2.20 4.780359430e+00 4.780359430e+00 2.22 3.139289384e+00 3.139289384e+00 2.24 1.824323633e+00 1.824323633e+00 2.26 7.700057528e-01 7.700057528e-01 2.28 -7.604447211e-02 -7.604447211e-02 2.30 -7.556853103e-01 -7.556853103e-01 2.32 -1.302411233e+00 -1.302411233e+00 2.34 -1.742967124e+00 -1.742967124e+00 2.36 -2.098661480e+00 -2.098661480e+00 2.38 -2.386433471e+00 -2.386433471e+00 2.40 -2.619718750e+00 -2.619718750e+00 2.42 -2.809150845e+00 -2.809150845e+00 2.44 -2.963128334e+00 -2.963128334e+00 2.46 -3.088268297e+00 -3.088268297e+00 2.48 -3.189773179e+00 -3.189773179e+00 2.50 -3.271730021e+00 -3.271730021e+00 2.52 -3.337315528e+00 -3.337315528e+00 2.54 -3.389060575e+00 -3.389060575e+00 2.56 -3.428971216e+00 -3.428971216e+00 2.58 -3.458639606e+00 -3.458639606e+00 2.60 -3.479337724e+00 -3.479337724e+00 2.62 -3.492022431e+00 -3.492022431e+00 2.64 -3.497442683e+00 -3.497442683e+00 2.66 -3.496280077e+00 -3.496280077e+00 2.68 -3.489109647e+00 -3.489109647e+00 2.70 -3.476425878e+00 -3.476425878e+00 2.72 -3.458662757e+00 -3.458662757e+00 2.74 -3.436209017e+00 -3.436209017e+00 2.76 -3.409419587e+00 -3.409419587e+00 2.78 -3.378624061e+00 -3.378624061e+00 2.80 -3.344132850e+00 -3.344132850e+00 2.82 -3.306240924e+00 -3.306240924e+00 2.84 -3.265207743e+00 -3.265207743e+00 2.86 -3.221289542e+00 -3.221289542e+00 2.88 -3.174749614e+00 -3.174749614e+00 2.90 -3.125843321e+00 -3.125843321e+00 2.92 -3.074818354e+00 -3.074818354e+00 2.94 -3.021914742e+00 -3.021914742e+00 2.96 -2.967316201e+00 -2.967316201e+00 2.98 -2.911166794e+00 -2.911166794e+00 3.00 -2.853677673e+00 -2.853677673e+00 3.02 -2.795053869e+00 -2.795053869e+00 3.04 -2.735491619e+00 -2.735491619e+00 3.06 -2.675162770e+00 -2.675162770e+00 3.08 -2.614158915e+00 -2.614158915e+00 3.10 -2.552633744e+00 -2.552633744e+00 3.12 -2.490745038e+00 -2.490745038e+00 3.14 -2.428641573e+00 -2.428641573e+00 3.16 -2.366463186e+00 -2.366463186e+00 3.18 -2.304340871e+00 -2.304340871e+00 3.20 -2.242396925e+00 -2.242396925e+00 3.22 -2.180745115e+00 -2.180745115e+00 3.24 -2.119490879e+00 -2.119490879e+00 3.26 -2.058731557e+00 -2.058731557e+00 3.28 -1.998556639e+00 -1.998556639e+00 3.30 -1.939048038e+00 -1.939048038e+00 3.32 -1.880280373e+00 -1.880280373e+00 3.34 -1.822321267e+00 -1.822321267e+00 3.36 -1.765231651e+00 -1.765231651e+00 3.38 -1.709066080e+00 -1.709066080e+00 3.40 -1.653873044e+00 -1.653873044e+00 3.42 -1.599695285e+00 -1.599695285e+00 3.44 -1.546570111e+00 -1.546570111e+00 3.46 -1.494518885e+00 -1.494518885e+00 3.48 -1.443504260e+00 -1.443504260e+00 3.50 -1.393536720e+00 -1.393536720e+00 3.52 -1.344636630e+00 -1.344636630e+00 3.54 -1.296820552e+00 -1.296820552e+00 3.56 -1.250101498e+00 -1.250101498e+00 3.58 -1.204489179e+00 -1.204489179e+00 3.60 -1.159990241e+00 -1.159990241e+00 3.62 -1.116608498e+00 -1.116608498e+00 3.64 -1.074345143e+00 -1.074345143e+00 3.66 -1.033198962e+00 -1.033198962e+00 3.68 -9.931665334e-01 -9.931665334e-01 3.70 -9.542424114e-01 -9.542424114e-01 3.72 -9.164193102e-01 -9.164193102e-01 3.74 -8.796882707e-01 -8.796882707e-01 3.76 -8.440388209e-01 -8.440388209e-01 3.78 -8.094591269e-01 -8.094591269e-01 3.80 -7.759361338e-01 -7.759361338e-01 3.82 -7.434556991e-01 -7.434556991e-01 3.84 -7.120027167e-01 -7.120027167e-01 3.86 -6.815612339e-01 -6.815612339e-01 3.88 -6.521145593e-01 -6.521145593e-01 3.90 -6.236453643e-01 -6.236453643e-01 3.92 -5.961357772e-01 -5.961357772e-01 3.94 -5.695674700e-01 -5.695674700e-01 3.96 -5.439217395e-01 -5.439217395e-01 3.98 -5.191795817e-01 -5.191795817e-01 4.00 -4.953217609e-01 -4.953217609e-01 4.02 -4.723288726e-01 -4.723288726e-01 4.04 -4.501814020e-01 -4.501814020e-01 4.06 -4.288597769e-01 -4.288597769e-01 4.08 -4.083444166e-01 -4.083444166e-01 4.10 -3.886157761e-01 -3.886157761e-01 4.12 -3.696543861e-01 -3.696543861e-01 4.14 -3.514408899e-01 -3.514408899e-01 4.16 -3.339560758e-01 -3.339560758e-01 4.18 -3.171809069e-01 -3.171809069e-01 4.20 -3.010965476e-01 -3.010965476e-01 4.22 -2.856843871e-01 -2.856843871e-01 4.24 -2.709260601e-01 -2.709260601e-01 4.26 -2.568034656e-01 -2.568034656e-01 4.28 -2.432987826e-01 -2.432987826e-01 4.30 -2.303944842e-01 -2.303944842e-01 4.32 -2.180696596e-01 -2.180696596e-01 4.34 -2.062663137e-01 -2.062663137e-01 4.36 -1.949578890e-01 -1.949578890e-01 4.38 -1.841299476e-01 -1.841299476e-01 4.40 -1.737683515e-01 -1.737683515e-01 4.42 -1.638592657e-01 -1.638592657e-01 4.44 -1.543891604e-01 -1.543891604e-01 4.46 -1.453448128e-01 -1.453448128e-01 4.48 -1.367133069e-01 -1.367133069e-01 4.50 -1.284820338e-01 -1.284820338e-01 4.52 -1.206386907e-01 -1.206386907e-01 4.54 -1.131712791e-01 -1.131712791e-01 4.56 -1.060681043e-01 -1.060681043e-01 4.58 -9.931777069e-02 -9.931777069e-02 4.60 -9.290917694e-02 -9.290917694e-02 4.62 -8.683151608e-02 -8.683151608e-02 4.64 -8.107427148e-02 -8.107427148e-02 4.66 -7.562714230e-02 -7.562714230e-02 4.68 -7.047959214e-02 -7.047959214e-02 4.70 -6.562225057e-02 -6.562225057e-02 4.72 -6.104611056e-02 -6.104611056e-02 4.74 -5.674226121e-02 -5.674226121e-02 4.76 -5.270192973e-02 -5.270192973e-02 4.78 -4.891651413e-02 -4.891651413e-02 4.80 -4.537760800e-02 -4.537760800e-02 4.82 -4.207701870e-02 -4.207701870e-02 4.84 -3.900677993e-02 -3.900677993e-02 4.86 -3.615915965e-02 -3.615915965e-02 4.88 -3.352635400e-02 -3.352635400e-02 4.90 -3.108708639e-02 -3.108708639e-02 4.92 -2.881975365e-02 -2.881975365e-02 4.94 -2.671830200e-02 -2.671830200e-02 4.96 -2.477726446e-02 -2.477726446e-02 4.98 -2.299135044e-02 -2.299135044e-02 5.00 -2.132363173e-02 -2.132363173e-02 5.02 -1.973880381e-02 -1.973880381e-02 5.04 -1.823419988e-02 -1.823419988e-02 5.06 -1.680723343e-02 -1.680723343e-02 5.08 -1.545539596e-02 -1.545539596e-02 5.10 -1.417625499e-02 -1.417625499e-02 5.12 -1.296745207e-02 -1.296745207e-02 5.14 -1.182669508e-02 -1.182669508e-02 5.16 -1.075154145e-02 -1.075154145e-02 5.18 -9.739840517e-03 -9.739840517e-03 5.20 -8.789636466e-03 -8.789636466e-03 5.22 -7.899004146e-03 -7.899004146e-03 5.24 -7.066053683e-03 -7.066053683e-03 5.26 -6.288934189e-03 -6.288934189e-03 5.28 -5.565836662e-03 -5.565836662e-03 5.30 -4.894996195e-03 -4.894996195e-03 5.32 -4.274693587e-03 -4.274693587e-03 5.34 -3.703256448e-03 -3.703256448e-03 5.36 -3.179059864e-03 -3.179059864e-03 5.38 -2.700526693e-03 -2.700526693e-03 5.40 -2.266127548e-03 -2.266127548e-03 5.42 -1.874380516e-03 -1.874380516e-03 5.44 -1.523850664e-03 -1.523850664e-03 5.46 -1.213149351e-03 -1.213149351e-03 5.48 -9.409334104e-04 -9.409334104e-04 5.50 -7.059041969e-04 -7.059041969e-04 5.52 -5.068065515e-04 -5.068065515e-04 5.54 -3.424276884e-04 -3.424276884e-04 5.56 -2.115960299e-04 -2.115960299e-04 5.58 -1.131800029e-04 -1.131800029e-04 5.60 -4.608681197e-05 -4.608681197e-05 5.62 -9.261198363e-06 -9.261198363e-06 5.64 1.948272213e-11 1.948272213e-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