# 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 = CuPd2Pt # 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 3.505620546e+06 3.505620546e+06 0.88 3.204568633e+06 3.204568633e+06 0.90 2.930227990e+06 2.930227990e+06 0.92 2.679764405e+06 2.679764405e+06 0.94 2.450683145e+06 2.450683145e+06 0.96 2.240768720e+06 2.240768720e+06 0.98 2.048102673e+06 2.048102673e+06 1.00 1.870994920e+06 1.870994920e+06 1.02 1.707955421e+06 1.707955421e+06 1.04 1.557630843e+06 1.557630843e+06 1.06 1.418825069e+06 1.418825069e+06 1.08 1.290488353e+06 1.290488353e+06 1.10 1.171669206e+06 1.171669206e+06 1.12 1.061536847e+06 1.061536847e+06 1.14 9.593485026e+05 9.593485026e+05 1.16 8.644189495e+05 8.644189495e+05 1.18 7.761370993e+05 7.761370993e+05 1.20 6.939642581e+05 6.939642581e+05 1.22 6.174020528e+05 6.174020528e+05 1.24 5.459752257e+05 5.459752257e+05 1.26 4.792810009e+05 4.792810009e+05 1.28 4.169519786e+05 4.169519786e+05 1.30 3.586609275e+05 3.586609275e+05 1.32 3.040910559e+05 3.040910559e+05 1.34 2.529547725e+05 2.529547725e+05 1.36 2.067546152e+05 2.067546152e+05 1.38 1.664843442e+05 1.664843442e+05 1.40 1.325687622e+05 1.325687622e+05 1.42 1.055610322e+05 1.055610322e+05 1.44 8.414745037e+04 8.414745037e+04 1.46 6.714406467e+04 6.714406467e+04 1.48 5.362491542e+04 5.362491542e+04 1.50 4.286309660e+04 4.286309660e+04 1.52 3.428717120e+04 3.428717120e+04 1.54 2.744643772e+04 2.744643772e+04 1.56 2.198446526e+04 2.198446526e+04 1.58 1.761888954e+04 1.761888954e+04 1.60 1.412517068e+04 1.412517068e+04 1.62 1.132735024e+04 1.132735024e+04 1.64 9.085712740e+03 9.085712740e+03 1.66 7.288875720e+03 7.288875720e+03 1.68 5.847918275e+03 5.847918275e+03 1.70 4.691946073e+03 4.691946073e+03 1.72 3.764369454e+03 3.764369454e+03 1.74 3.019919811e+03 3.019919811e+03 1.76 2.422360174e+03 2.422360174e+03 1.78 1.942601395e+03 1.942601395e+03 1.80 1.557305319e+03 1.557305319e+03 1.82 1.247764315e+03 1.247764315e+03 1.84 9.991279075e+02 9.991279075e+02 1.86 7.994719323e+02 7.994719323e+02 1.88 6.392038860e+02 6.392038860e+02 1.90 5.106051120e+02 5.106051120e+02 1.92 4.074569102e+02 4.074569102e+02 1.94 3.247532912e+02 3.247532912e+02 1.96 2.584666675e+02 2.584666675e+02 1.98 2.053737417e+02 2.053737417e+02 2.00 1.628785979e+02 1.628785979e+02 2.02 1.288917786e+02 1.288917786e+02 2.04 1.017322966e+02 1.017322966e+02 2.06 8.004714086e+01 8.004714086e+01 2.08 6.274779707e+01 6.274779707e+01 2.10 4.895812072e+01 4.895812072e+01 2.12 3.797397748e+01 3.797397748e+01 2.14 2.923108316e+01 2.923108316e+01 2.16 2.227460500e+01 2.227460500e+01 2.18 1.674374878e+01 1.674374878e+01 2.20 1.235014543e+01 1.235014543e+01 2.22 8.862780122e+00 8.862780122e+00 2.24 6.096605247e+00 6.096605247e+00 2.26 3.903614859e+00 3.903614859e+00 2.28 2.165619031e+00 2.165619031e+00 2.30 7.883981901e-01 7.883981901e-01 2.32 -3.030225814e-01 -3.030225814e-01 2.34 -1.168187714e+00 -1.168187714e+00 2.36 -1.854291337e+00 -1.854291337e+00 2.38 -2.398660650e+00 -2.398660650e+00 2.40 -2.830749570e+00 -2.830749570e+00 2.42 -3.173762295e+00 -3.173762295e+00 2.44 -3.445940609e+00 -3.445940609e+00 2.46 -3.661596021e+00 -3.661596021e+00 2.48 -3.831935937e+00 -3.831935937e+00 2.50 -3.965722686e+00 -3.965722686e+00 2.52 -4.069792179e+00 -4.069792179e+00 2.54 -4.149481648e+00 -4.149481648e+00 2.56 -4.208963554e+00 -4.208963554e+00 2.58 -4.251505709e+00 -4.251505709e+00 2.60 -4.279676658e+00 -4.279676658e+00 2.62 -4.295471594e+00 -4.295471594e+00 2.64 -4.300465452e+00 -4.300465452e+00 2.66 -4.295958476e+00 -4.295958476e+00 2.68 -4.283013246e+00 -4.283013246e+00 2.70 -4.262489041e+00 -4.262489041e+00 2.72 -4.235105839e+00 -4.235105839e+00 2.74 -4.201501650e+00 -4.201501650e+00 2.76 -4.162246853e+00 -4.162246853e+00 2.78 -4.117855536e+00 -4.117855536e+00 2.80 -4.068798798e+00 -4.068798798e+00 2.82 -4.015432785e+00 -4.015432785e+00 2.84 -3.958084294e+00 -3.958084294e+00 2.86 -3.897108881e+00 -3.897108881e+00 2.88 -3.832869688e+00 -3.832869688e+00 2.90 -3.765715087e+00 -3.765715087e+00 2.92 -3.695978753e+00 -3.695978753e+00 2.94 -3.623980532e+00 -3.623980532e+00 2.96 -3.550026889e+00 -3.550026889e+00 2.98 -3.474411092e+00 -3.474411092e+00 3.00 -3.397413213e+00 -3.397413213e+00 3.02 -3.319300058e+00 -3.319300058e+00 3.04 -3.240325054e+00 -3.240325054e+00 3.06 -3.160721166e+00 -3.160721166e+00 3.08 -3.080675340e+00 -3.080675340e+00 3.10 -3.000392881e+00 -3.000392881e+00 3.12 -2.920071584e+00 -2.920071584e+00 3.14 -2.839895966e+00 -2.839895966e+00 3.16 -2.760037473e+00 -2.760037473e+00 3.18 -2.680654740e+00 -2.680654740e+00 3.20 -2.601893904e+00 -2.601893904e+00 3.22 -2.523888961e+00 -2.523888961e+00 3.24 -2.446762162e+00 -2.446762162e+00 3.26 -2.370624441e+00 -2.370624441e+00 3.28 -2.295575872e+00 -2.295575872e+00 3.30 -2.221665613e+00 -2.221665613e+00 3.32 -2.148910034e+00 -2.148910034e+00 3.34 -2.077355129e+00 -2.077355129e+00 3.36 -2.007057550e+00 -2.007057550e+00 3.38 -1.938073316e+00 -1.938073316e+00 3.40 -1.870450812e+00 -1.870450812e+00 3.42 -1.804231254e+00 -1.804231254e+00 3.44 -1.739449137e+00 -1.739449137e+00 3.46 -1.676132681e+00 -1.676132681e+00 3.48 -1.614304263e+00 -1.614304263e+00 3.50 -1.553980839e+00 -1.553980839e+00 3.52 -1.495174343e+00 -1.495174343e+00 3.54 -1.437892080e+00 -1.437892080e+00 3.56 -1.382137096e+00 -1.382137096e+00 3.58 -1.327908538e+00 -1.327908538e+00 3.60 -1.275201986e+00 -1.275201986e+00 3.62 -1.224009782e+00 -1.224009782e+00 3.64 -1.174321329e+00 -1.174321329e+00 3.66 -1.126123381e+00 -1.126123381e+00 3.68 -1.079400311e+00 -1.079400311e+00 3.70 -1.034134369e+00 -1.034134369e+00 3.72 -9.903059159e-01 -9.903059159e-01 3.74 -9.478936470e-01 -9.478936470e-01 3.76 -9.068748007e-01 -9.068748007e-01 3.78 -8.672253500e-01 -8.672253500e-01 3.80 -8.289201823e-01 -8.289201823e-01 3.82 -7.919332643e-01 -7.919332643e-01 3.84 -7.562377960e-01 -7.562377960e-01 3.86 -7.218063514e-01 -7.218063514e-01 3.88 -6.886110080e-01 -6.886110080e-01 3.90 -6.566234666e-01 -6.566234666e-01 3.92 -6.258151593e-01 -6.258151593e-01 3.94 -5.961573492e-01 -5.961573492e-01 3.96 -5.676212209e-01 -5.676212209e-01 3.98 -5.401779621e-01 -5.401779621e-01 4.00 -5.137988379e-01 -5.137988379e-01 4.02 -4.884552573e-01 -4.884552573e-01 4.04 -4.641188333e-01 -4.641188333e-01 4.06 -4.407614364e-01 -4.407614364e-01 4.08 -4.183552417e-01 -4.183552417e-01 4.10 -3.968727718e-01 -3.968727718e-01 4.12 -3.762869331e-01 -3.762869331e-01 4.14 -3.565710487e-01 -3.565710487e-01 4.16 -3.376988857e-01 -3.376988857e-01 4.18 -3.196446800e-01 -3.196446800e-01 4.20 -3.023831562e-01 -3.023831562e-01 4.22 -2.858895446e-01 -2.858895446e-01 4.24 -2.701395954e-01 -2.701395954e-01 4.26 -2.551095896e-01 -2.551095896e-01 4.28 -2.407763475e-01 -2.407763475e-01 4.30 -2.271172354e-01 -2.271172354e-01 4.32 -2.141073979e-01 -2.141073979e-01 4.34 -2.016944431e-01 -2.016944431e-01 4.36 -1.898498988e-01 -1.898498988e-01 4.38 -1.785547001e-01 -1.785547001e-01 4.40 -1.677903061e-01 -1.677903061e-01 4.42 -1.575386953e-01 -1.575386953e-01 4.44 -1.477823591e-01 -1.477823591e-01 4.46 -1.385042959e-01 -1.385042959e-01 4.48 -1.296880038e-01 -1.296880038e-01 4.50 -1.213174722e-01 -1.213174722e-01 4.52 -1.133771741e-01 -1.133771741e-01 4.54 -1.058520570e-01 -1.058520570e-01 4.56 -9.872753344e-02 -9.872753344e-02 4.58 -9.198947213e-02 -9.198947213e-02 4.60 -8.562418764e-02 -8.562418764e-02 4.62 -7.961843109e-02 -7.961843109e-02 4.64 -7.395937919e-02 -7.395937919e-02 4.66 -6.862043932e-02 -6.862043932e-02 4.68 -6.357018872e-02 -6.357018872e-02 4.70 -5.879550377e-02 -5.879550377e-02 4.72 -5.427979301e-02 -5.427979301e-02 4.74 -5.001361235e-02 -5.001361235e-02 4.76 -4.598811687e-02 -4.598811687e-02 4.78 -4.219465963e-02 -4.219465963e-02 4.80 -3.862508008e-02 -3.862508008e-02 4.82 -3.527148547e-02 -3.527148547e-02 4.84 -3.212622522e-02 -3.212622522e-02 4.86 -2.918188619e-02 -2.918188619e-02 4.88 -2.643129185e-02 -2.643129185e-02 4.90 -2.386749895e-02 -2.386749895e-02 4.92 -2.148379333e-02 -2.148379333e-02 4.94 -1.927368518e-02 -1.927368518e-02 4.96 -1.723082990e-02 -1.723082990e-02 4.98 -1.534875974e-02 -1.534875974e-02 5.00 -1.360989390e-02 -1.360989390e-02 5.02 -1.199743608e-02 -1.199743608e-02 5.04 -1.050688625e-02 -1.050688625e-02 5.06 -9.133849758e-03 -9.133849758e-03 5.08 -7.874045984e-03 -7.874045984e-03 5.10 -6.723314717e-03 -6.723314717e-03 5.12 -5.677620554e-03 -5.677620554e-03 5.14 -4.733055630e-03 -4.733055630e-03 5.16 -3.885840929e-03 -3.885840929e-03 5.18 -3.132326449e-03 -3.132326449e-03 5.20 -2.468990399e-03 -2.468990399e-03 5.22 -1.892437615e-03 -1.892437615e-03 5.24 -1.399397353e-03 -1.399397353e-03 5.26 -9.867205685e-04 -9.867205685e-04 5.28 -6.513768207e-04 -6.513768207e-04 5.30 -3.904508701e-04 -3.904508701e-04 5.32 -2.011390655e-04 -2.011390655e-04 5.34 -8.074558203e-05 -8.074558203e-05 5.36 -2.667822526e-05 -2.667822526e-05 5.38 -9.461996776e-06 -9.461996776e-06 5.40 -1.035871184e-06 -1.035871184e-06 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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