# 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 = Ag2PdPt # 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 5.993834531e+06 5.993834531e+06 0.88 5.479951589e+06 5.479951589e+06 0.90 5.011369790e+06 5.011369790e+06 0.92 4.583269790e+06 4.583269790e+06 0.94 4.191402946e+06 4.191402946e+06 0.96 3.832073105e+06 3.832073105e+06 0.98 3.502003360e+06 3.502003360e+06 1.00 3.198315000e+06 3.198315000e+06 1.02 2.918482683e+06 2.918482683e+06 1.04 2.660259287e+06 2.660259287e+06 1.06 2.421636738e+06 2.421636738e+06 1.08 2.200847651e+06 2.200847651e+06 1.10 1.996255579e+06 1.996255579e+06 1.12 1.806441719e+06 1.806441719e+06 1.14 1.630142475e+06 1.630142475e+06 1.16 1.466193962e+06 1.466193962e+06 1.18 1.313565604e+06 1.313565604e+06 1.20 1.171338618e+06 1.171338618e+06 1.22 1.038661584e+06 1.038661584e+06 1.24 9.147594640e+05 9.147594640e+05 1.26 7.989506592e+05 7.989506592e+05 1.28 6.906203381e+05 6.906203381e+05 1.30 5.892589462e+05 5.892589462e+05 1.32 4.965840536e+05 4.965840536e+05 1.34 4.127580344e+05 4.127580344e+05 1.36 3.369275582e+05 3.369275582e+05 1.38 2.700989837e+05 2.700989837e+05 1.40 2.165318619e+05 2.165318619e+05 1.42 1.738152014e+05 1.738152014e+05 1.44 1.396947439e+05 1.396947439e+05 1.46 1.124000257e+05 1.124000257e+05 1.48 9.053636136e+04 9.053636136e+04 1.50 7.299783833e+04 7.299783833e+04 1.52 5.891109171e+04 5.891109171e+04 1.54 4.758432403e+04 4.758432403e+04 1.56 3.846650152e+04 3.846650152e+04 1.58 3.111769136e+04 3.111769136e+04 1.60 2.518756273e+04 2.518756273e+04 1.62 2.039787905e+04 2.039787905e+04 1.64 1.652639934e+04 1.652639934e+04 1.66 1.339425532e+04 1.339425532e+04 1.68 1.085858424e+04 1.085858424e+04 1.70 8.804806137e+03 8.804806137e+03 1.72 7.140660614e+03 7.140660614e+03 1.74 5.791693949e+03 5.791693949e+03 1.76 4.697743306e+03 4.697743306e+03 1.78 3.810375156e+03 3.810375156e+03 1.80 3.090388041e+03 3.090388041e+03 1.82 2.505964377e+03 2.505964377e+03 1.84 2.031506504e+03 2.031506504e+03 1.86 1.646334734e+03 1.646334734e+03 1.88 1.333671405e+03 1.333671405e+03 1.90 1.079887624e+03 1.079887624e+03 1.92 8.739212093e+02 8.739212093e+02 1.94 7.067976578e+02 7.067976578e+02 1.96 5.712299864e+02 5.712299864e+02 1.98 4.612964780e+02 4.612964780e+02 2.00 3.721813748e+02 3.721813748e+02 2.02 2.999471916e+02 2.999471916e+02 2.04 2.414191449e+02 2.414191449e+02 2.06 1.940237926e+02 1.940237926e+02 2.08 1.556669582e+02 1.556669582e+02 2.10 1.246434981e+02 1.246434981e+02 2.12 9.956796042e+01 9.956796042e+01 2.14 7.931357328e+01 7.931357328e+01 2.16 6.296057638e+01 6.296057638e+01 2.18 4.976599756e+01 4.976599756e+01 2.20 3.912699889e+01 3.912699889e+01 2.22 3.055307078e+01 3.055307078e+01 2.24 2.365037090e+01 2.365037090e+01 2.26 1.809877270e+01 1.809877270e+01 2.28 1.363836576e+01 1.363836576e+01 2.30 1.005841822e+01 1.005841822e+01 2.32 7.188092954e+00 7.188092954e+00 2.34 4.889061805e+00 4.889061805e+00 2.36 3.049458984e+00 3.049458984e+00 2.38 1.578938522e+00 1.578938522e+00 2.40 4.046412447e-01 4.046412447e-01 2.42 -5.321082948e-01 -5.321082948e-01 2.44 -1.278489565e+00 -1.278489565e+00 2.46 -1.872409671e+00 -1.872409671e+00 2.48 -2.344231184e+00 -2.344231184e+00 2.50 -2.718192625e+00 -2.718192625e+00 2.52 -3.013666015e+00 -3.013666015e+00 2.54 -3.246108633e+00 -3.246108633e+00 2.56 -3.427834623e+00 -3.427834623e+00 2.58 -3.568640028e+00 -3.568640028e+00 2.60 -3.676308266e+00 -3.676308266e+00 2.62 -3.757018169e+00 -3.757018169e+00 2.64 -3.815672712e+00 -3.815672712e+00 2.66 -3.856163274e+00 -3.856163274e+00 2.68 -3.881581555e+00 -3.881581555e+00 2.70 -3.894377508e+00 -3.894377508e+00 2.72 -3.896501275e+00 -3.896501275e+00 2.74 -3.889521212e+00 -3.889521212e+00 2.76 -3.874711138e+00 -3.874711138e+00 2.78 -3.853109972e+00 -3.853109972e+00 2.80 -3.825574113e+00 -3.825574113e+00 2.82 -3.792781529e+00 -3.792781529e+00 2.84 -3.755279201e+00 -3.755279201e+00 2.86 -3.713546680e+00 -3.713546680e+00 2.88 -3.668037819e+00 -3.668037819e+00 2.90 -3.619156828e+00 -3.619156828e+00 2.92 -3.567267841e+00 -3.567267841e+00 2.94 -3.512703069e+00 -3.512703069e+00 2.96 -3.455728562e+00 -3.455728562e+00 2.98 -3.396521076e+00 -3.396521076e+00 3.00 -3.335337023e+00 -3.335337023e+00 3.02 -3.272423463e+00 -3.272423463e+00 3.04 -3.208014431e+00 -3.208014431e+00 3.06 -3.142332153e+00 -3.142332153e+00 3.08 -3.075587884e+00 -3.075587884e+00 3.10 -3.007982456e+00 -3.007982456e+00 3.12 -2.939706640e+00 -2.939706640e+00 3.14 -2.870941380e+00 -2.870941380e+00 3.16 -2.801857940e+00 -2.801857940e+00 3.18 -2.732618018e+00 -2.732618018e+00 3.20 -2.663373836e+00 -2.663373836e+00 3.22 -2.594268238e+00 -2.594268238e+00 3.24 -2.525434795e+00 -2.525434795e+00 3.26 -2.456997944e+00 -2.456997944e+00 3.28 -2.389073138e+00 -2.389073138e+00 3.30 -2.321747438e+00 -2.321747438e+00 3.32 -2.255087151e+00 -2.255087151e+00 3.34 -2.189156798e+00 -2.189156798e+00 3.36 -2.124032128e+00 -2.124032128e+00 3.38 -2.059788785e+00 -2.059788785e+00 3.40 -1.996495056e+00 -1.996495056e+00 3.42 -1.934212174e+00 -1.934212174e+00 3.44 -1.872994623e+00 -1.872994623e+00 3.46 -1.812886618e+00 -1.812886618e+00 3.48 -1.753873362e+00 -1.753873362e+00 3.50 -1.695972317e+00 -1.695972317e+00 3.52 -1.639214580e+00 -1.639214580e+00 3.54 -1.583626343e+00 -1.583626343e+00 3.56 -1.529229196e+00 -1.529229196e+00 3.58 -1.476040430e+00 -1.476040430e+00 3.60 -1.424073324e+00 -1.424073324e+00 3.62 -1.373337429e+00 -1.373337429e+00 3.64 -1.323838847e+00 -1.323838847e+00 3.66 -1.275580484e+00 -1.275580484e+00 3.68 -1.228562313e+00 -1.228562313e+00 3.70 -1.182781608e+00 -1.182781608e+00 3.72 -1.138233177e+00 -1.138233177e+00 3.74 -1.094909581e+00 -1.094909581e+00 3.76 -1.052801341e+00 -1.052801341e+00 3.78 -1.011897133e+00 -1.011897133e+00 3.80 -9.721839760e-01 -9.721839760e-01 3.82 -9.336474038e-01 -9.336474038e-01 3.84 -8.962716295e-01 -8.962716295e-01 3.86 -8.600396981e-01 -8.600396981e-01 3.88 -8.249336303e-01 -8.249336303e-01 3.90 -7.909345559e-01 -7.909345559e-01 3.92 -7.580228377e-01 -7.580228377e-01 3.94 -7.261781872e-01 -7.261781872e-01 3.96 -6.953797710e-01 -6.953797710e-01 3.98 -6.656063101e-01 -6.656063101e-01 4.00 -6.368361705e-01 -6.368361705e-01 4.02 -6.090474471e-01 -6.090474471e-01 4.04 -5.822180408e-01 -5.822180408e-01 4.06 -5.563257282e-01 -5.563257282e-01 4.08 -5.313482266e-01 -5.313482266e-01 4.10 -5.072632520e-01 -5.072632520e-01 4.12 -4.840485722e-01 -4.840485722e-01 4.14 -4.616820549e-01 -4.616820549e-01 4.16 -4.401417108e-01 -4.401417108e-01 4.18 -4.194057327e-01 -4.194057327e-01 4.20 -3.994525300e-01 -3.994525300e-01 4.22 -3.802607597e-01 -3.802607597e-01 4.24 -3.618093535e-01 -3.618093535e-01 4.26 -3.440775425e-01 -3.440775425e-01 4.28 -3.270448773e-01 -3.270448773e-01 4.30 -3.106912470e-01 -3.106912470e-01 4.32 -2.949968945e-01 -2.949968945e-01 4.34 -2.799424294e-01 -2.799424294e-01 4.36 -2.655088396e-01 -2.655088396e-01 4.38 -2.516774997e-01 -2.516774997e-01 4.40 -2.384301789e-01 -2.384301789e-01 4.42 -2.257490456e-01 -2.257490456e-01 4.44 -2.136166720e-01 -2.136166720e-01 4.46 -2.020160364e-01 -2.020160364e-01 4.48 -1.909305246e-01 -1.909305246e-01 4.50 -1.803439297e-01 -1.803439297e-01 4.52 -1.702404519e-01 -1.702404519e-01 4.54 -1.606046958e-01 -1.606046958e-01 4.56 -1.514216685e-01 -1.514216685e-01 4.58 -1.426767758e-01 -1.426767758e-01 4.60 -1.343558181e-01 -1.343558181e-01 4.62 -1.264449863e-01 -1.264449863e-01 4.64 -1.189308559e-01 -1.189308559e-01 4.66 -1.117874472e-01 -1.117874472e-01 4.68 -1.049843307e-01 -1.049843307e-01 4.70 -9.850805239e-02 -9.850805239e-02 4.72 -9.234245927e-02 -9.234245927e-02 4.74 -8.647717311e-02 -8.647717311e-02 4.76 -8.090238363e-02 -8.090238363e-02 4.78 -7.560856810e-02 -7.560856810e-02 4.80 -7.058648528e-02 -7.058648528e-02 4.82 -6.582716705e-02 -6.582716705e-02 4.84 -6.132191484e-02 -6.132191484e-02 4.86 -5.706229358e-02 -5.706229358e-02 4.88 -5.304012555e-02 -5.304012555e-02 4.90 -4.923845487e-02 -4.923845487e-02 4.92 -4.563025139e-02 -4.563025139e-02 4.94 -4.220806204e-02 -4.220806204e-02 4.96 -3.896574726e-02 -3.896574726e-02 4.98 -3.589746015e-02 -3.589746015e-02 5.00 -3.299749373e-02 -3.299749373e-02 5.02 -3.026028580e-02 -3.026028580e-02 5.04 -2.768042241e-02 -2.768042241e-02 5.06 -2.525264102e-02 -2.525264102e-02 5.08 -2.297183162e-02 -2.297183162e-02 5.10 -2.083303675e-02 -2.083303675e-02 5.12 -1.883145070e-02 -1.883145070e-02 5.14 -1.696241804e-02 -1.696241804e-02 5.16 -1.522136262e-02 -1.522136262e-02 5.18 -1.360368771e-02 -1.360368771e-02 5.20 -1.210528836e-02 -1.210528836e-02 5.22 -1.072220282e-02 -1.072220282e-02 5.24 -9.450572366e-03 -9.450572366e-03 5.26 -8.286643971e-03 -8.286643971e-03 5.28 -7.226771914e-03 -7.226771914e-03 5.30 -6.267418549e-03 -6.267418549e-03 5.32 -5.405154320e-03 -5.405154320e-03 5.34 -4.636657166e-03 -4.636657166e-03 5.36 -3.958711284e-03 -3.958711284e-03 5.38 -3.357313562e-03 -3.357313562e-03 5.40 -2.819096077e-03 -2.819096077e-03 5.42 -2.340649997e-03 -2.340649997e-03 5.44 -1.912408100e-03 -1.912408100e-03 5.46 -1.531514925e-03 -1.531514925e-03 5.48 -1.196460402e-03 -1.196460402e-03 5.50 -9.057812649e-04 -9.057812649e-04 5.52 -6.580601565e-04 -6.580601565e-04 5.54 -4.519246368e-04 -4.519246368e-04 5.56 -2.860461110e-04 -2.860461110e-04 5.58 -1.591386955e-04 -1.591386955e-04 5.60 -6.995804000e-05 -6.995804000e-05 5.62 -1.730011827e-05 -1.730011827e-05 5.64 4.460396516e-11 4.460396517e-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