# 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 = Ag2AuCu # 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 4.547272741e+06 4.547272741e+06 0.88 4.130947934e+06 4.130947934e+06 0.90 3.751161024e+06 3.751161024e+06 0.92 3.404062170e+06 3.404062170e+06 0.94 3.086235478e+06 3.086235478e+06 0.96 2.794733059e+06 2.794733059e+06 0.98 2.526840752e+06 2.526840752e+06 1.00 2.280241093e+06 2.280241093e+06 1.02 2.052871135e+06 2.052871135e+06 1.04 1.842952589e+06 1.842952589e+06 1.06 1.648890305e+06 1.648890305e+06 1.08 1.469243127e+06 1.469243127e+06 1.10 1.302688185e+06 1.302688185e+06 1.12 1.148098834e+06 1.148098834e+06 1.14 1.004447060e+06 1.004447060e+06 1.16 8.707691307e+05 8.707691307e+05 1.18 7.462319975e+05 7.462319975e+05 1.20 6.300984583e+05 6.300984583e+05 1.22 5.216694077e+05 5.216694077e+05 1.24 4.219578679e+05 4.219578679e+05 1.26 3.354078849e+05 3.354078849e+05 1.28 2.669343087e+05 2.669343087e+05 1.30 2.128427696e+05 2.128427696e+05 1.32 1.700164647e+05 1.700164647e+05 1.34 1.360294077e+05 1.360294077e+05 1.36 1.090079582e+05 1.090079582e+05 1.38 8.748199575e+04 8.748199575e+04 1.40 7.029974581e+04 7.029974581e+04 1.42 5.656424454e+04 5.656424454e+04 1.44 4.556796259e+04 4.556796259e+04 1.46 3.675211523e+04 3.675211523e+04 1.48 2.967324237e+04 2.967324237e+04 1.50 2.398000111e+04 2.398000111e+04 1.52 1.939522554e+04 1.939522554e+04 1.54 1.569936938e+04 1.569936938e+04 1.56 1.271691093e+04 1.271691093e+04 1.58 1.030754593e+04 1.030754593e+04 1.60 8.359634670e+03 8.359634670e+03 1.62 6.783648118e+03 6.783648118e+03 1.64 5.507575504e+03 5.507575504e+03 1.66 4.473238584e+03 4.473238584e+03 1.68 3.633857927e+03 3.633857927e+03 1.70 2.952273130e+03 2.952273130e+03 1.72 2.398670175e+03 2.398670175e+03 1.74 1.948891826e+03 1.948891826e+03 1.76 1.583343262e+03 1.583343262e+03 1.78 1.286195076e+03 1.286195076e+03 1.80 1.044616616e+03 1.044616616e+03 1.82 8.482151873e+02 8.482151873e+02 1.84 6.885478674e+02 6.885478674e+02 1.86 5.587531647e+02 5.587531647e+02 1.88 4.532526154e+02 4.532526154e+02 1.90 3.674847124e+02 3.674847124e+02 1.92 2.977585289e+02 2.977585289e+02 1.94 2.410888394e+02 2.410888394e+02 1.96 1.950401346e+02 1.950401346e+02 1.98 1.576346861e+02 1.576346861e+02 2.00 1.272536356e+02 1.272536356e+02 2.02 1.025729234e+02 1.025729234e+02 2.04 8.253106850e+01 8.253106850e+01 2.06 6.626545757e+01 6.626545757e+01 2.08 5.307192312e+01 5.307192312e+01 2.10 4.237590746e+01 4.237590746e+01 2.12 3.370885438e+01 3.370885438e+01 2.14 2.668887903e+01 2.668887903e+01 2.16 2.100493733e+01 2.100493733e+01 2.18 1.640377129e+01 1.640377129e+01 2.20 1.267871353e+01 1.267871353e+01 2.22 9.661743682e+00 9.661743682e+00 2.24 7.218209700e+00 7.218209700e+00 2.26 5.238255461e+00 5.238255461e+00 2.28 3.633118954e+00 3.633118954e+00 2.30 2.331202366e+00 2.331202366e+00 2.32 1.274428114e+00 1.274428114e+00 2.34 4.157541188e-01 4.157541188e-01 2.36 -2.828652316e-01 -2.828652316e-01 2.38 -8.521514411e-01 -8.521514411e-01 2.40 -1.316872280e+00 -1.316872280e+00 2.42 -1.696963578e+00 -1.696963578e+00 2.44 -2.008446519e+00 -2.008446519e+00 2.46 -2.264179304e+00 -2.264179304e+00 2.48 -2.474450741e+00 -2.474450741e+00 2.50 -2.647485863e+00 -2.647485863e+00 2.52 -2.789859416e+00 -2.789859416e+00 2.54 -2.906828103e+00 -2.906828103e+00 2.56 -3.002595714e+00 -3.002595714e+00 2.58 -3.080525672e+00 -3.080525672e+00 2.60 -3.143312990e+00 -3.143312990e+00 2.62 -3.193088620e+00 -3.193088620e+00 2.64 -3.231554000e+00 -3.231554000e+00 2.66 -3.260120314e+00 -3.260120314e+00 2.68 -3.279943127e+00 -3.279943127e+00 2.70 -3.291977345e+00 -3.291977345e+00 2.72 -3.297020905e+00 -3.297020905e+00 2.74 -3.295749321e+00 -3.295749321e+00 2.76 -3.288742846e+00 -3.288742846e+00 2.78 -3.276507714e+00 -3.276507714e+00 2.80 -3.259492615e+00 -3.259492615e+00 2.82 -3.238100823e+00 -3.238100823e+00 2.84 -3.212668807e+00 -3.212668807e+00 2.86 -3.183512167e+00 -3.183512167e+00 2.88 -3.150948461e+00 -3.150948461e+00 2.90 -3.115276743e+00 -3.115276743e+00 2.92 -3.076780498e+00 -3.076780498e+00 2.94 -3.035729736e+00 -3.035729736e+00 2.96 -2.992318501e+00 -2.992318501e+00 2.98 -2.946668401e+00 -2.946668401e+00 3.00 -2.899005573e+00 -2.899005573e+00 3.02 -2.849551381e+00 -2.849551381e+00 3.04 -2.798517947e+00 -2.798517947e+00 3.06 -2.746100892e+00 -2.746100892e+00 3.08 -2.692452501e+00 -2.692452501e+00 3.10 -2.637750670e+00 -2.637750670e+00 3.12 -2.582170898e+00 -2.582170898e+00 3.14 -2.525879992e+00 -2.525879992e+00 3.16 -2.469036116e+00 -2.469036116e+00 3.18 -2.411788855e+00 -2.411788855e+00 3.20 -2.354279296e+00 -2.354279296e+00 3.22 -2.296640130e+00 -2.296640130e+00 3.24 -2.238995781e+00 -2.238995781e+00 3.26 -2.181462555e+00 -2.181462555e+00 3.28 -2.124148819e+00 -2.124148819e+00 3.30 -2.067155194e+00 -2.067155194e+00 3.32 -2.010574771e+00 -2.010574771e+00 3.34 -1.954493351e+00 -1.954493351e+00 3.36 -1.898989685e+00 -1.898989685e+00 3.38 -1.844135744e+00 -1.844135744e+00 3.40 -1.789996984e+00 -1.789996984e+00 3.42 -1.736632625e+00 -1.736632625e+00 3.44 -1.684095937e+00 -1.684095937e+00 3.46 -1.632422522e+00 -1.632422522e+00 3.48 -1.581565266e+00 -1.581565266e+00 3.50 -1.531539969e+00 -1.531539969e+00 3.52 -1.482380549e+00 -1.482380549e+00 3.54 -1.434116630e+00 -1.434116630e+00 3.56 -1.386773793e+00 -1.386773793e+00 3.58 -1.340373816e+00 -1.340373816e+00 3.60 -1.294934918e+00 -1.294934918e+00 3.62 -1.250471982e+00 -1.250471982e+00 3.64 -1.206996782e+00 -1.206996782e+00 3.66 -1.164518198e+00 -1.164518198e+00 3.68 -1.123042422e+00 -1.123042422e+00 3.70 -1.082573151e+00 -1.082573151e+00 3.72 -1.043111785e+00 -1.043111785e+00 3.74 -1.004657601e+00 -1.004657601e+00 3.76 -9.672079259e-01 -9.672079259e-01 3.78 -9.307583037e-01 -9.307583037e-01 3.80 -8.953026461e-01 -8.953026461e-01 3.82 -8.608333815e-01 -8.608333815e-01 3.84 -8.273415932e-01 -8.273415932e-01 3.86 -7.948171498e-01 -7.948171498e-01 3.88 -7.632488286e-01 -7.632488286e-01 3.90 -7.326244304e-01 -7.326244304e-01 3.92 -7.029308885e-01 -7.029308885e-01 3.94 -6.741543697e-01 -6.741543697e-01 3.96 -6.462803693e-01 -6.462803693e-01 3.98 -6.192937990e-01 -6.192937990e-01 4.00 -5.931790695e-01 -5.931790695e-01 4.02 -5.679201671e-01 -5.679201671e-01 4.04 -5.435007240e-01 -5.435007240e-01 4.06 -5.199040848e-01 -5.199040848e-01 4.08 -4.971133662e-01 -4.971133662e-01 4.10 -4.751115138e-01 -4.751115138e-01 4.12 -4.538813532e-01 -4.538813532e-01 4.14 -4.334056370e-01 -4.334056370e-01 4.16 -4.136670886e-01 -4.136670886e-01 4.18 -3.946484416e-01 -3.946484416e-01 4.20 -3.763324754e-01 -3.763324754e-01 4.22 -3.587020488e-01 -3.587020488e-01 4.24 -3.417401288e-01 -3.417401288e-01 4.26 -3.254298178e-01 -3.254298178e-01 4.28 -3.097543779e-01 -3.097543779e-01 4.30 -2.946972520e-01 -2.946972520e-01 4.32 -2.802400073e-01 -2.802400073e-01 4.34 -2.663433857e-01 -2.663433857e-01 4.36 -2.529858554e-01 -2.529858554e-01 4.38 -2.401527614e-01 -2.401527614e-01 4.40 -2.278296857e-01 -2.278296857e-01 4.42 -2.160024560e-01 -2.160024560e-01 4.44 -2.046571541e-01 -2.046571541e-01 4.46 -1.937801219e-01 -1.937801219e-01 4.48 -1.833579673e-01 -1.833579673e-01 4.50 -1.733775679e-01 -1.733775679e-01 4.52 -1.638260747e-01 -1.638260747e-01 4.54 -1.546909144e-01 -1.546909144e-01 4.56 -1.459597910e-01 -1.459597910e-01 4.58 -1.376206864e-01 -1.376206864e-01 4.60 -1.296618607e-01 -1.296618607e-01 4.62 -1.220718518e-01 -1.220718518e-01 4.64 -1.148394741e-01 -1.148394741e-01 4.66 -1.079538169e-01 -1.079538169e-01 4.68 -1.014042426e-01 -1.014042426e-01 4.70 -9.518038394e-02 -9.518038394e-02 4.72 -8.927214155e-02 -8.927214155e-02 4.74 -8.366968042e-02 -8.366968042e-02 4.76 -7.836342670e-02 -7.836342670e-02 4.78 -7.334406389e-02 -7.334406389e-02 4.80 -6.860252986e-02 -6.860252986e-02 4.82 -6.413001105e-02 -6.413001105e-02 4.84 -5.991793798e-02 -5.991793798e-02 4.86 -5.595798215e-02 -5.595798215e-02 4.88 -5.224174541e-02 -5.224174541e-02 4.90 -4.874353116e-02 -4.874353116e-02 4.92 -4.543272704e-02 -4.543272704e-02 4.94 -4.230273431e-02 -4.230273431e-02 4.96 -3.934783944e-02 -3.934783944e-02 4.98 -3.656232714e-02 -3.656232714e-02 5.00 -3.392584838e-02 -3.392584838e-02 5.02 -3.141897792e-02 -3.141897792e-02 5.04 -2.903768378e-02 -2.903768378e-02 5.06 -2.677803980e-02 -2.677803980e-02 5.08 -2.463622512e-02 -2.463622512e-02 5.10 -2.260852340e-02 -2.260852340e-02 5.12 -2.069132184e-02 -2.069132184e-02 5.14 -1.888110986e-02 -1.888110986e-02 5.16 -1.717440500e-02 -1.717440500e-02 5.18 -1.556764850e-02 -1.556764850e-02 5.20 -1.405774748e-02 -1.405774748e-02 5.22 -1.264170839e-02 -1.264170839e-02 5.24 -1.131659630e-02 -1.131659630e-02 5.26 -1.007953944e-02 -1.007953944e-02 5.28 -8.927732722e-03 -8.927732722e-03 5.30 -7.858440401e-03 -7.858440401e-03 5.32 -6.868997922e-03 -6.868997922e-03 5.34 -5.956813165e-03 -5.956813165e-03 5.36 -5.119367099e-03 -5.119367099e-03 5.38 -4.354213958e-03 -4.354213958e-03 5.40 -3.658981020e-03 -3.658981020e-03 5.42 -3.031368032e-03 -3.031368032e-03 5.44 -2.469146352e-03 -2.469146352e-03 5.46 -1.970157857e-03 -1.970157857e-03 5.48 -1.532313649e-03 -1.532313649e-03 5.50 -1.153592611e-03 -1.153592611e-03 5.52 -8.320398333e-04 -8.320398333e-04 5.54 -5.657649424e-04 -5.657649424e-04 5.56 -3.529403638e-04 -3.529403638e-04 5.58 -1.917995285e-04 -1.917995285e-04 5.60 -8.063504882e-05 -8.063504882e-05 5.62 -1.779687674e-05 -1.779687674e-05 5.64 4.147367300e-11 4.147367299e-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