# 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 = Ag2AuPd # 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 4.995992925e+06 4.995992925e+06 0.88 4.560220085e+06 4.560220085e+06 0.90 4.162673115e+06 4.162673115e+06 0.92 3.799286873e+06 3.799286873e+06 0.94 3.466494126e+06 3.466494126e+06 0.96 3.161190730e+06 3.161190730e+06 0.98 2.880596697e+06 2.880596697e+06 1.00 2.622273372e+06 2.622273372e+06 1.02 2.384093169e+06 2.384093169e+06 1.04 2.164167443e+06 2.164167443e+06 1.06 1.960811296e+06 1.960811296e+06 1.08 1.772539020e+06 1.772539020e+06 1.10 1.597951600e+06 1.597951600e+06 1.12 1.435861508e+06 1.435861508e+06 1.14 1.285206591e+06 1.285206591e+06 1.16 1.144993670e+06 1.144993670e+06 1.18 1.014355684e+06 1.014355684e+06 1.20 8.925216898e+05 8.925216898e+05 1.22 7.787682967e+05 7.787682967e+05 1.24 6.724491155e+05 6.724491155e+05 1.26 5.729994058e+05 5.729994058e+05 1.28 4.799070366e+05 4.799070366e+05 1.30 3.939394790e+05 3.939394790e+05 1.32 3.171782393e+05 3.171782393e+05 1.34 2.543231020e+05 2.543231020e+05 1.36 2.042549675e+05 2.042549675e+05 1.38 1.642936545e+05 1.642936545e+05 1.40 1.323371526e+05 1.323371526e+05 1.42 1.067404165e+05 1.067404165e+05 1.44 8.620315789e+04 8.620315789e+04 1.46 6.970124962e+04 6.970124962e+04 1.48 5.642367525e+04 5.642367525e+04 1.50 4.572416748e+04 4.572416748e+04 1.52 3.709013606e+04 3.709013606e+04 1.54 3.011488920e+04 3.011488920e+04 1.56 2.447295114e+04 2.447295114e+04 1.58 1.990324925e+04 1.990324925e+04 1.60 1.619756908e+04 1.619756908e+04 1.62 1.318998085e+04 1.318998085e+04 1.64 1.074693512e+04 1.074693512e+04 1.66 8.760327991e+03 8.760327991e+03 1.68 7.143294198e+03 7.143294198e+03 1.70 5.826360247e+03 5.826360247e+03 1.72 4.753353721e+03 4.753353721e+03 1.74 3.878696041e+03 3.878696041e+03 1.76 3.165358263e+03 3.165358263e+03 1.78 2.583410596e+03 2.583410596e+03 1.80 2.108497482e+03 2.108497482e+03 1.82 1.720759443e+03 1.720759443e+03 1.84 1.404151339e+03 1.404151339e+03 1.86 1.145604798e+03 1.145604798e+03 1.88 9.344630456e+02 9.344630456e+02 1.90 7.619930399e+02 7.619930399e+02 1.92 6.210982433e+02 6.210982433e+02 1.94 5.060141016e+02 5.060141016e+02 1.96 4.120291606e+02 4.120291606e+02 1.98 3.352912071e+02 3.352912071e+02 2.00 2.726480945e+02 2.726480945e+02 2.02 2.215026260e+02 2.215026260e+02 2.04 1.797540268e+02 1.797540268e+02 2.06 1.456900174e+02 1.456900174e+02 2.08 1.179081180e+02 1.179081180e+02 2.10 9.525797523e+01 9.525797523e+01 2.12 7.679971921e+01 7.679971921e+01 2.14 6.176413256e+01 6.176413256e+01 2.16 4.951893449e+01 4.951893449e+01 2.18 3.955117130e+01 3.955117130e+01 2.20 3.143998939e+01 3.143998939e+01 2.22 2.484036135e+01 2.484036135e+01 2.24 1.947374715e+01 1.947374715e+01 2.26 1.511126458e+01 1.511126458e+01 2.28 1.156650864e+01 1.156650864e+01 2.30 8.687828729e+00 8.687828729e+00 2.32 6.351232804e+00 6.351232804e+00 2.34 4.455450552e+00 4.455450552e+00 2.36 2.917860693e+00 2.917860693e+00 2.38 1.671127914e+00 1.671127914e+00 2.40 6.604423139e-01 6.604423139e-01 2.42 -1.587547866e-01 -1.587547866e-01 2.44 -8.226415998e-01 -8.226415998e-01 2.46 -1.360584103e+00 -1.360584103e+00 2.48 -1.796340543e+00 -1.796340543e+00 2.50 -2.149075921e+00 -2.149075921e+00 2.52 -2.434279941e+00 -2.434279941e+00 2.54 -2.664456686e+00 -2.664456686e+00 2.56 -2.849688775e+00 -2.849688775e+00 2.58 -2.998098600e+00 -2.998098600e+00 2.60 -3.116224867e+00 -3.116224867e+00 2.62 -3.209329508e+00 -3.209329508e+00 2.64 -3.281647409e+00 -3.281647409e+00 2.66 -3.336589212e+00 -3.336589212e+00 2.68 -3.376905685e+00 -3.376905685e+00 2.70 -3.404813582e+00 -3.404813582e+00 2.72 -3.422108105e+00 -3.422108105e+00 2.74 -3.430257312e+00 -3.430257312e+00 2.76 -3.430465122e+00 -3.430465122e+00 2.78 -3.423726543e+00 -3.423726543e+00 2.80 -3.410871624e+00 -3.410871624e+00 2.82 -3.392563043e+00 -3.392563043e+00 2.84 -3.369336389e+00 -3.369336389e+00 2.86 -3.341684838e+00 -3.341684838e+00 2.88 -3.310060371e+00 -3.310060371e+00 2.90 -3.274864528e+00 -3.274864528e+00 2.92 -3.236458428e+00 -3.236458428e+00 2.94 -3.195170551e+00 -3.195170551e+00 2.96 -3.151244226e+00 -3.151244226e+00 2.98 -3.104842927e+00 -3.104842927e+00 3.00 -3.056217704e+00 -3.056217704e+00 3.02 -3.005608548e+00 -3.005608548e+00 3.04 -2.953241870e+00 -2.953241870e+00 3.06 -2.899331965e+00 -2.899331965e+00 3.08 -2.844082089e+00 -2.844082089e+00 3.10 -2.787685241e+00 -2.787685241e+00 3.12 -2.730324739e+00 -2.730324739e+00 3.14 -2.672174629e+00 -2.672174629e+00 3.16 -2.613399988e+00 -2.613399988e+00 3.18 -2.554157158e+00 -2.554157158e+00 3.20 -2.494593925e+00 -2.494593925e+00 3.22 -2.434849679e+00 -2.434849679e+00 3.24 -2.375055563e+00 -2.375055563e+00 3.26 -2.315334612e+00 -2.315334612e+00 3.28 -2.255801912e+00 -2.255801912e+00 3.30 -2.196545697e+00 -2.196545697e+00 3.32 -2.137636868e+00 -2.137636868e+00 3.34 -2.079168413e+00 -2.079168413e+00 3.36 -2.021226505e+00 -2.021226505e+00 3.38 -1.963890387e+00 -1.963890387e+00 3.40 -1.907232598e+00 -1.907232598e+00 3.42 -1.851319219e+00 -1.851319219e+00 3.44 -1.796210118e+00 -1.796210118e+00 3.46 -1.741947846e+00 -1.741947846e+00 3.48 -1.688496688e+00 -1.688496688e+00 3.50 -1.635878883e+00 -1.635878883e+00 3.52 -1.584132846e+00 -1.584132846e+00 3.54 -1.533292397e+00 -1.533292397e+00 3.56 -1.483387009e+00 -1.483387009e+00 3.58 -1.434442055e+00 -1.434442055e+00 3.60 -1.386479047e+00 -1.386479047e+00 3.62 -1.339515871e+00 -1.339515871e+00 3.64 -1.293567022e+00 -1.293567022e+00 3.66 -1.248643819e+00 -1.248643819e+00 3.68 -1.204754628e+00 -1.204754628e+00 3.70 -1.161905069e+00 -1.161905069e+00 3.72 -1.120098214e+00 -1.120098214e+00 3.74 -1.079334783e+00 -1.079334783e+00 3.76 -1.039613328e+00 -1.039613328e+00 3.78 -1.000930406e+00 -1.000930406e+00 3.80 -9.632807530e-01 -9.632807530e-01 3.82 -9.266574355e-01 -9.266574355e-01 3.84 -8.910520081e-01 -8.910520081e-01 3.86 -8.564546537e-01 -8.564546537e-01 3.88 -8.228543188e-01 -8.228543188e-01 3.90 -7.902388409e-01 -7.902388409e-01 3.92 -7.585950679e-01 -7.585950679e-01 3.94 -7.279089706e-01 -7.279089706e-01 3.96 -6.981657476e-01 -6.981657476e-01 3.98 -6.693499234e-01 -6.693499234e-01 4.00 -6.414454403e-01 -6.414454403e-01 4.02 -6.144357435e-01 -6.144357435e-01 4.04 -5.883038604e-01 -5.883038604e-01 4.06 -5.630324742e-01 -5.630324742e-01 4.08 -5.386039918e-01 -5.386039918e-01 4.10 -5.150006064e-01 -5.150006064e-01 4.12 -4.922043558e-01 -4.922043558e-01 4.14 -4.701971751e-01 -4.701971751e-01 4.16 -4.489609458e-01 -4.489609458e-01 4.18 -4.284775400e-01 -4.284775400e-01 4.20 -4.087288614e-01 -4.087288614e-01 4.22 -3.896968823e-01 -3.896968823e-01 4.24 -3.713636766e-01 -3.713636766e-01 4.26 -3.537114509e-01 -3.537114509e-01 4.28 -3.367225710e-01 -3.367225710e-01 4.30 -3.203795868e-01 -3.203795868e-01 4.32 -3.046652537e-01 -3.046652537e-01 4.34 -2.895625523e-01 -2.895625523e-01 4.36 -2.750547054e-01 -2.750547054e-01 4.38 -2.611251927e-01 -2.611251927e-01 4.40 -2.477577638e-01 -2.477577638e-01 4.42 -2.349364497e-01 -2.349364497e-01 4.44 -2.226455718e-01 -2.226455718e-01 4.46 -2.108697503e-01 -2.108697503e-01 4.48 -1.995939101e-01 -1.995939101e-01 4.50 -1.888032867e-01 -1.888032867e-01 4.52 -1.784834297e-01 -1.784834297e-01 4.54 -1.686202059e-01 -1.686202059e-01 4.56 -1.591998009e-01 -1.591998009e-01 4.58 -1.502087206e-01 -1.502087206e-01 4.60 -1.416337911e-01 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-2.117982775e-02 -2.117982775e-02 5.14 -1.917117042e-02 -1.917117042e-02 5.16 -1.729249085e-02 -1.729249085e-02 5.18 -1.553933536e-02 -1.553933536e-02 5.20 -1.390765926e-02 -1.390765926e-02 5.22 -1.239353750e-02 -1.239353750e-02 5.24 -1.099313427e-02 -1.099313427e-02 5.26 -9.702708099e-03 -9.702708099e-03 5.28 -8.518615418e-03 -8.518615418e-03 5.30 -7.437313100e-03 -7.437313100e-03 5.32 -6.455359900e-03 -6.455359900e-03 5.34 -5.569417086e-03 -5.569417086e-03 5.36 -4.776248220e-03 -4.776248220e-03 5.38 -4.061822081e-03 -4.061822081e-03 5.40 -3.412742756e-03 -3.412742756e-03 5.42 -2.826856126e-03 -2.826856126e-03 5.44 -2.302075607e-03 -2.302075607e-03 5.46 -1.836381094e-03 -1.836381094e-03 5.48 -1.427817609e-03 -1.427817609e-03 5.50 -1.074493832e-03 -1.074493832e-03 5.52 -7.745805480e-04 -7.745805480e-04 5.54 -5.263090093e-04 -5.263090093e-04 5.56 -3.279692615e-04 -3.279692615e-04 5.58 -1.779084287e-04 -1.779084287e-04 5.60 -7.452898264e-05 -7.452898264e-05 5.62 -1.628700574e-05 -1.628700574e-05 5.64 3.758111618e-11 3.758111617e-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