# 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 = NiPd2Pt # 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 4.309065740e+06 4.309065740e+06 0.88 3.939833718e+06 3.939833718e+06 0.90 3.603416811e+06 3.603416811e+06 0.92 3.296317901e+06 3.296317901e+06 0.94 3.015459657e+06 3.015459657e+06 0.96 2.758124953e+06 2.758124953e+06 0.98 2.521974102e+06 2.521974102e+06 1.00 2.304923493e+06 2.304923493e+06 1.02 2.105143614e+06 2.105143614e+06 1.04 1.920971922e+06 1.920971922e+06 1.06 1.750939688e+06 1.750939688e+06 1.08 1.593775108e+06 1.593775108e+06 1.10 1.448305904e+06 1.448305904e+06 1.12 1.313504754e+06 1.313504754e+06 1.14 1.188452051e+06 1.188452051e+06 1.16 1.072300106e+06 1.072300106e+06 1.18 9.643084748e+05 9.643084748e+05 1.20 8.638106968e+05 8.638106968e+05 1.22 7.702000151e+05 7.702000151e+05 1.24 6.828960922e+05 6.828960922e+05 1.26 6.014032325e+05 6.014032325e+05 1.28 5.252700639e+05 5.252700639e+05 1.30 4.540884213e+05 4.540884213e+05 1.32 3.874720037e+05 3.874720037e+05 1.34 3.250702981e+05 3.250702981e+05 1.36 2.670586038e+05 2.670586038e+05 1.38 2.154612980e+05 2.154612980e+05 1.40 1.711463258e+05 1.711463258e+05 1.42 1.359725392e+05 1.359725392e+05 1.44 1.081412360e+05 1.081412360e+05 1.46 8.608926069e+04 8.608926069e+04 1.48 6.859580095e+04 6.859580095e+04 1.50 5.470202276e+04 5.470202276e+04 1.52 4.365496112e+04 4.365496112e+04 1.54 3.486292908e+04 3.486292908e+04 1.56 2.785921828e+04 2.785921828e+04 1.58 2.227432211e+04 2.227432211e+04 1.60 1.781505155e+04 1.781505155e+04 1.62 1.425218661e+04 1.425218661e+04 1.64 1.140405844e+04 1.140405844e+04 1.66 9.126240536e+03 9.126240536e+03 1.68 7.303795264e+03 7.303795264e+03 1.70 5.845235502e+03 5.845235502e+03 1.72 4.677619116e+03 4.677619116e+03 1.74 3.742615105e+03 3.742615105e+03 1.76 2.993771510e+03 2.993771510e+03 1.78 2.394009399e+03 2.394009399e+03 1.80 1.913603622e+03 1.913603622e+03 1.82 1.528678215e+03 1.528678215e+03 1.84 1.220323771e+03 1.220323771e+03 1.86 9.733932457e+02 9.733932457e+02 1.88 7.757316365e+02 7.757316365e+02 1.90 6.175700942e+02 6.175700942e+02 1.92 4.910690529e+02 4.910690529e+02 1.94 3.899463954e+02 3.899463954e+02 1.96 3.091665420e+02 3.091665420e+02 1.98 2.446890657e+02 2.446890657e+02 2.00 1.932685740e+02 1.932685740e+02 2.02 1.522988278e+02 1.522988278e+02 2.04 1.196876232e+02 1.196876232e+02 2.06 9.375614665e+01 9.375614665e+01 2.08 7.315795752e+01 7.315795752e+01 2.10 5.681285306e+01 5.681285306e+01 2.12 4.385447928e+01 4.385447928e+01 2.14 3.359128157e+01 3.359128157e+01 2.16 2.546843479e+01 2.546843479e+01 2.18 1.904757401e+01 1.904757401e+01 2.20 1.397885710e+01 1.397885710e+01 2.22 9.982669952e+00 9.982669952e+00 2.24 6.835844582e+00 6.835844582e+00 2.26 4.360551385e+00 4.360551385e+00 2.28 2.415335122e+00 2.415335122e+00 2.30 8.878857923e-01 8.878857923e-01 2.32 -3.107869067e-01 -3.107869067e-01 2.34 -1.251040668e+00 -1.251040668e+00 2.36 -1.988372565e+00 -1.988372565e+00 2.38 -2.566452790e+00 -2.566452790e+00 2.40 -3.019552986e+00 -3.019552986e+00 2.42 -3.374509020e+00 -3.374509020e+00 2.44 -3.652278241e+00 -3.652278241e+00 2.46 -3.869177389e+00 -3.869177389e+00 2.48 -4.037875778e+00 -4.037875778e+00 2.50 -4.168192149e+00 -4.168192149e+00 2.52 -4.267719761e+00 -4.267719761e+00 2.54 -4.342318376e+00 -4.342318376e+00 2.56 -4.396476333e+00 -4.396476333e+00 2.58 -4.433672755e+00 -4.433672755e+00 2.60 -4.456605799e+00 -4.456605799e+00 2.62 -4.467371614e+00 -4.467371614e+00 2.64 -4.467610738e+00 -4.467610738e+00 2.66 -4.458621313e+00 -4.458621313e+00 2.68 -4.441446072e+00 -4.441446072e+00 2.70 -4.416913994e+00 -4.416913994e+00 2.72 -4.385710161e+00 -4.385710161e+00 2.74 -4.348437726e+00 -4.348437726e+00 2.76 -4.305635167e+00 -4.305635167e+00 2.78 -4.257788183e+00 -4.257788183e+00 2.80 -4.205343734e+00 -4.205343734e+00 2.82 -4.148633300e+00 -4.148633300e+00 2.84 -4.087963847e+00 -4.087963847e+00 2.86 -4.023678612e+00 -4.023678612e+00 2.88 -3.956132716e+00 -3.956132716e+00 2.90 -3.885669609e+00 -3.885669609e+00 2.92 -3.812620711e+00 -3.812620711e+00 2.94 -3.737305863e+00 -3.737305863e+00 2.96 -3.660033379e+00 -3.660033379e+00 2.98 -3.581095471e+00 -3.581095471e+00 3.00 -3.500749902e+00 -3.500749902e+00 3.02 -3.419263040e+00 -3.419263040e+00 3.04 -3.336892653e+00 -3.336892653e+00 3.06 -3.253883300e+00 -3.253883300e+00 3.08 -3.170466127e+00 -3.170466127e+00 3.10 -3.086858727e+00 -3.086858727e+00 3.12 -3.003265095e+00 -3.003265095e+00 3.14 -2.919875655e+00 -2.919875655e+00 3.16 -2.836867379e+00 -2.836867379e+00 3.18 -2.754403978e+00 -2.754403978e+00 3.20 -2.672636164e+00 -2.672636164e+00 3.22 -2.591701977e+00 -2.591701977e+00 3.24 -2.511727162e+00 -2.511727162e+00 3.26 -2.432825595e+00 -2.432825595e+00 3.28 -2.355099743e+00 -2.355099743e+00 3.30 -2.278599570e+00 -2.278599570e+00 3.32 -2.203341265e+00 -2.203341265e+00 3.34 -2.129371267e+00 -2.129371267e+00 3.36 -2.056746796e+00 -2.056746796e+00 3.38 -1.985524208e+00 -1.985524208e+00 3.40 -1.915751817e+00 -1.915751817e+00 3.42 -1.847470385e+00 -1.847470385e+00 3.44 -1.780713609e+00 -1.780713609e+00 3.46 -1.715508602e+00 -1.715508602e+00 3.48 -1.651876350e+00 -1.651876350e+00 3.50 -1.589832169e+00 -1.589832169e+00 3.52 -1.529386138e+00 -1.529386138e+00 3.54 -1.470543515e+00 -1.470543515e+00 3.56 -1.413305142e+00 -1.413305142e+00 3.58 -1.357667823e+00 -1.357667823e+00 3.60 -1.303624691e+00 -1.303624691e+00 3.62 -1.251165548e+00 -1.251165548e+00 3.64 -1.200277195e+00 -1.200277195e+00 3.66 -1.150943735e+00 -1.150943735e+00 3.68 -1.103146862e+00 -1.103146862e+00 3.70 -1.056866131e+00 -1.056866131e+00 3.72 -1.012079211e+00 -1.012079211e+00 3.74 -9.687621206e-01 -9.687621206e-01 3.76 -9.268894434e-01 -9.268894434e-01 3.78 -8.864345344e-01 -8.864345344e-01 3.80 -8.473697063e-01 -8.473697063e-01 3.82 -8.096664028e-01 -8.096664028e-01 3.84 -7.732953583e-01 -7.732953583e-01 3.86 -7.382267447e-01 -7.382267447e-01 3.88 -7.044303050e-01 -7.044303050e-01 3.90 -6.718754768e-01 -6.718754768e-01 3.92 -6.405315033e-01 -6.405315033e-01 3.94 -6.103675353e-01 -6.103675353e-01 3.96 -5.813527227e-01 -5.813527227e-01 3.98 -5.534562977e-01 -5.534562977e-01 4.00 -5.266476491e-01 -5.266476491e-01 4.02 -5.008963893e-01 -5.008963893e-01 4.04 -4.761724137e-01 -4.761724137e-01 4.06 -4.524459533e-01 -4.524459533e-01 4.08 -4.296876216e-01 -4.296876216e-01 4.10 -4.078684551e-01 -4.078684551e-01 4.12 -3.869599491e-01 -3.869599491e-01 4.14 -3.669340881e-01 -3.669340881e-01 4.16 -3.477633723e-01 -3.477633723e-01 4.18 -3.294208392e-01 -3.294208392e-01 4.20 -3.118800825e-01 -3.118800825e-01 4.22 -2.951010960e-01 -2.951010960e-01 4.24 -2.790445614e-01 -2.790445614e-01 4.26 -2.636869241e-01 -2.636869241e-01 4.28 -2.490052003e-01 -2.490052003e-01 4.30 -2.349769785e-01 -2.349769785e-01 4.32 -2.215804207e-01 -2.215804207e-01 4.34 -2.087942624e-01 -2.087942624e-01 4.36 -1.965978105e-01 -1.965978105e-01 4.38 -1.849709407e-01 -1.849709407e-01 4.40 -1.738940924e-01 -1.738940924e-01 4.42 -1.633482635e-01 -1.633482635e-01 4.44 -1.533150038e-01 -1.533150038e-01 4.46 -1.437764075e-01 -1.437764075e-01 4.48 -1.347151055e-01 -1.347151055e-01 4.50 -1.261142560e-01 -1.261142560e-01 4.52 -1.179575358e-01 -1.179575358e-01 4.54 -1.102291300e-01 -1.102291300e-01 4.56 -1.029137224e-01 -1.029137224e-01 4.58 -9.599648462e-02 -9.599648462e-02 4.60 -8.946306502e-02 -8.946306502e-02 4.62 -8.329957822e-02 -8.329957822e-02 4.64 -7.749259412e-02 -7.749259412e-02 4.66 -7.201492952e-02 -7.201492952e-02 4.68 -6.683459933e-02 -6.683459933e-02 4.70 -6.193717569e-02 -6.193717569e-02 4.72 -5.730360354e-02 -5.730360354e-02 4.74 -5.292391028e-02 -5.292391028e-02 4.76 -4.878902648e-02 -4.878902648e-02 4.78 -4.489017674e-02 -4.489017674e-02 4.80 -4.121886643e-02 -4.121886643e-02 4.82 -3.776687728e-02 -3.776687728e-02 4.84 -3.452626269e-02 -3.452626269e-02 4.86 -3.148725645e-02 -3.148725645e-02 4.88 -2.863019989e-02 -2.863019989e-02 4.90 -2.594648839e-02 -2.594648839e-02 4.92 -2.342984869e-02 -2.342984869e-02 4.94 -2.107422102e-02 -2.107422102e-02 4.96 -1.887366571e-02 -1.887366571e-02 4.98 -1.682204685e-02 -1.682204685e-02 5.00 -1.491413347e-02 -1.491413347e-02 5.02 -1.314492519e-02 -1.314492519e-02 5.04 -1.150951621e-02 -1.150951621e-02 5.06 -1.000310945e-02 -1.000310945e-02 5.08 -8.621027501e-03 -8.621027501e-03 5.10 -7.358720653e-03 -7.358720653e-03 5.12 -6.211772639e-03 -6.211772639e-03 5.14 -5.175904351e-03 -5.175904351e-03 5.16 -4.246975904e-03 -4.246975904e-03 5.18 -3.420987296e-03 -3.420987296e-03 5.20 -2.694077939e-03 -2.694077939e-03 5.22 -2.062525236e-03 -2.062525236e-03 5.24 -1.522742408e-03 -1.522742408e-03 5.26 -1.071275716e-03 -1.071275716e-03 5.28 -7.048012016e-04 -7.048012016e-04 5.30 -4.201210693e-04 -4.201210693e-04 5.32 -2.141597996e-04 -2.141597996e-04 5.34 -8.396007185e-05 -8.396007185e-05 5.36 -2.667818569e-05 -2.667818569e-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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