# 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 = AgPd2Pt # 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 4.720142150e+06 4.720142150e+06 0.88 4.319722967e+06 4.319722967e+06 0.90 3.954715608e+06 3.954715608e+06 0.92 3.621341282e+06 3.621341282e+06 0.94 3.316287694e+06 3.316287694e+06 0.96 3.036642099e+06 3.036642099e+06 0.98 2.779865149e+06 2.779865149e+06 1.00 2.543706360e+06 2.543706360e+06 1.02 2.326201721e+06 2.326201721e+06 1.04 2.125571625e+06 2.125571625e+06 1.06 1.940237182e+06 1.940237182e+06 1.08 1.768822355e+06 1.768822355e+06 1.10 1.610051033e+06 1.610051033e+06 1.12 1.462815419e+06 1.462815419e+06 1.14 1.326131500e+06 1.326131500e+06 1.16 1.199090305e+06 1.199090305e+06 1.18 1.080886519e+06 1.080886519e+06 1.20 9.708049509e+05 9.708049509e+05 1.22 8.681851745e+05 8.681851745e+05 1.24 7.724025029e+05 7.724025029e+05 1.26 6.829239385e+05 6.829239385e+05 1.28 5.992660292e+05 5.992660292e+05 1.30 5.209917925e+05 5.209917925e+05 1.32 4.476804367e+05 4.476804367e+05 1.34 3.789449760e+05 3.789449760e+05 1.36 3.149194694e+05 3.149194694e+05 1.38 2.575258658e+05 2.575258658e+05 1.40 2.069893670e+05 2.069893670e+05 1.42 1.654561419e+05 1.654561419e+05 1.44 1.324118634e+05 1.324118634e+05 1.46 1.060831372e+05 1.060831372e+05 1.48 8.507820479e+04 8.507820479e+04 1.50 6.829853304e+04 6.829853304e+04 1.52 5.487819185e+04 5.487819185e+04 1.54 4.413305713e+04 4.413305713e+04 1.56 3.552050430e+04 3.552050430e+04 1.58 2.860850761e+04 2.860850761e+04 1.60 2.305331895e+04 2.305331895e+04 1.62 1.858509977e+04 1.858509977e+04 1.64 1.498883217e+04 1.498883217e+04 1.66 1.209241223e+04 1.209241223e+04 1.68 9.758275342e+03 9.758275342e+03 1.70 7.876385823e+03 7.876385823e+03 1.72 6.358509587e+03 6.358509587e+03 1.74 5.133771246e+03 5.133771246e+03 1.76 4.145175874e+03 4.145175874e+03 1.78 3.346989401e+03 3.346989401e+03 1.80 2.702321712e+03 2.702321712e+03 1.82 2.181343135e+03 2.181343135e+03 1.84 1.760299951e+03 1.760299951e+03 1.86 1.420039413e+03 1.420039413e+03 1.88 1.145088658e+03 1.145088658e+03 1.90 9.229388642e+02 9.229388642e+02 1.92 7.434714201e+02 7.434714201e+02 1.94 5.985107391e+02 5.985107391e+02 1.96 4.814558650e+02 4.814558650e+02 1.98 3.869673115e+02 3.869673115e+02 2.00 3.107224586e+02 3.107224586e+02 2.02 2.492095043e+02 2.492095043e+02 2.04 1.996017847e+02 1.996017847e+02 2.06 1.596161977e+02 1.596161977e+02 2.08 1.274040109e+02 1.274040109e+02 2.10 1.014673248e+02 1.014673248e+02 2.12 8.059197844e+01 8.059197844e+01 2.14 6.379817465e+01 6.379817465e+01 2.16 5.028943654e+01 5.028943654e+01 2.18 3.943045163e+01 3.943045163e+01 2.20 3.070786189e+01 3.070786189e+01 2.22 2.370603462e+01 2.370603462e+01 2.24 1.808971137e+01 1.808971137e+01 2.26 1.358786258e+01 1.358786258e+01 2.28 9.981636806e+00 9.981636806e+00 2.30 7.094524508e+00 7.094524508e+00 2.32 4.784275558e+00 4.784275558e+00 2.34 2.936388209e+00 2.936388209e+00 2.36 1.458817056e+00 1.458817056e+00 2.38 2.776756317e-01 2.776756317e-01 2.40 -6.662555663e-01 -6.662555663e-01 2.42 -1.420390106e+00 -1.420390106e+00 2.44 -2.022633009e+00 -2.022633009e+00 2.46 -2.503261948e+00 -2.503261948e+00 2.48 -2.886401254e+00 -2.886401254e+00 2.50 -3.191220822e+00 -3.191220822e+00 2.52 -3.432966127e+00 -3.432966127e+00 2.54 -3.623748387e+00 -3.623748387e+00 2.56 -3.773180812e+00 -3.773180812e+00 2.58 -3.888890304e+00 -3.888890304e+00 2.60 -3.976928203e+00 -3.976928203e+00 2.62 -4.042099321e+00 -4.042099321e+00 2.64 -4.088224906e+00 -4.088224906e+00 2.66 -4.118352287e+00 -4.118352287e+00 2.68 -4.134921548e+00 -4.134921548e+00 2.70 -4.139875248e+00 -4.139875248e+00 2.72 -4.134781287e+00 -4.134781287e+00 2.74 -4.120936450e+00 -4.120936450e+00 2.76 -4.099419352e+00 -4.099419352e+00 2.78 -4.071135375e+00 -4.071135375e+00 2.80 -4.036855100e+00 -4.036855100e+00 2.82 -3.997169509e+00 -3.997169509e+00 2.84 -3.952574281e+00 -3.952574281e+00 2.86 -3.903545357e+00 -3.903545357e+00 2.88 -3.850540979e+00 -3.850540979e+00 2.90 -3.793979931e+00 -3.793979931e+00 2.92 -3.734247734e+00 -3.734247734e+00 2.94 -3.671702278e+00 -3.671702278e+00 2.96 -3.606660629e+00 -3.606660629e+00 2.98 -3.539390727e+00 -3.539390727e+00 3.00 -3.470184895e+00 -3.470184895e+00 3.02 -3.399321588e+00 -3.399321588e+00 3.04 -3.327064212e+00 -3.327064212e+00 3.06 -3.253661957e+00 -3.253661957e+00 3.08 -3.179350393e+00 -3.179350393e+00 3.10 -3.104351910e+00 -3.104351910e+00 3.12 -3.028876054e+00 -3.028876054e+00 3.14 -2.953119811e+00 -2.953119811e+00 3.16 -2.877267857e+00 -2.877267857e+00 3.18 -2.801492798e+00 -2.801492798e+00 3.20 -2.725955428e+00 -2.725955428e+00 3.22 -2.650804993e+00 -2.650804993e+00 3.24 -2.576179486e+00 -2.576179486e+00 3.26 -2.502205958e+00 -2.502205958e+00 3.28 -2.429000861e+00 -2.429000861e+00 3.30 -2.356631699e+00 -2.356631699e+00 3.32 -2.285134099e+00 -2.285134099e+00 3.34 -2.214571602e+00 -2.214571602e+00 3.36 -2.145017057e+00 -2.145017057e+00 3.38 -2.076542021e+00 -2.076542021e+00 3.40 -2.009210119e+00 -2.009210119e+00 3.42 -1.943077451e+00 -1.943077451e+00 3.44 -1.878192987e+00 -1.878192987e+00 3.46 -1.814597075e+00 -1.814597075e+00 3.48 -1.752297562e+00 -1.752297562e+00 3.50 -1.691315151e+00 -1.691315151e+00 3.52 -1.631674431e+00 -1.631674431e+00 3.54 -1.573394924e+00 -1.573394924e+00 3.56 -1.516491442e+00 -1.516491442e+00 3.58 -1.460974428e+00 -1.460974428e+00 3.60 -1.406850293e+00 -1.406850293e+00 3.62 -1.354121733e+00 -1.354121733e+00 3.64 -1.302788029e+00 -1.302788029e+00 3.66 -1.252845342e+00 -1.252845342e+00 3.68 -1.204286984e+00 -1.204286984e+00 3.70 -1.157103683e+00 -1.157103683e+00 3.72 -1.111283827e+00 -1.111283827e+00 3.74 -1.066813698e+00 -1.066813698e+00 3.76 -1.023677692e+00 -1.023677692e+00 3.78 -9.818585230e-01 -9.818585230e-01 3.80 -9.413374145e-01 -9.413374145e-01 3.82 -9.020942825e-01 -9.020942825e-01 3.84 -8.641079009e-01 -8.641079009e-01 3.86 -8.273560579e-01 -8.273560579e-01 3.88 -7.918157009e-01 -7.918157009e-01 3.90 -7.574630706e-01 -7.574630706e-01 3.92 -7.242738243e-01 -7.242738243e-01 3.94 -6.922231505e-01 -6.922231505e-01 3.96 -6.612858736e-01 -6.612858736e-01 3.98 -6.314365504e-01 -6.314365504e-01 4.00 -6.026495578e-01 -6.026495578e-01 4.02 -5.748991733e-01 -5.748991733e-01 4.04 -5.481596483e-01 -5.481596483e-01 4.06 -5.224052741e-01 -5.224052741e-01 4.08 -4.976104420e-01 -4.976104420e-01 4.10 -4.737496975e-01 -4.737496975e-01 4.12 -4.507977883e-01 -4.507977883e-01 4.14 -4.287297081e-01 -4.287297081e-01 4.16 -4.075207348e-01 -4.075207348e-01 4.18 -3.871464648e-01 -3.871464648e-01 4.20 -3.675828428e-01 -3.675828428e-01 4.22 -3.488061877e-01 -3.488061877e-01 4.24 -3.307932160e-01 -3.307932160e-01 4.26 -3.135210602e-01 -3.135210602e-01 4.28 -2.969672860e-01 -2.969672860e-01 4.30 -2.811099055e-01 -2.811099055e-01 4.32 -2.659273885e-01 -2.659273885e-01 4.34 -2.513986714e-01 -2.513986714e-01 4.36 -2.375031640e-01 -2.375031640e-01 4.38 -2.242207543e-01 -2.242207543e-01 4.40 -2.115318116e-01 -2.115318116e-01 4.42 -1.994171883e-01 -1.994171883e-01 4.44 -1.878582199e-01 -1.878582199e-01 4.46 -1.768367237e-01 -1.768367237e-01 4.48 -1.663349971e-01 -1.663349971e-01 4.50 -1.563358136e-01 -1.563358136e-01 4.52 -1.468224194e-01 -1.468224194e-01 4.54 -1.377785278e-01 -1.377785278e-01 4.56 -1.291883136e-01 -1.291883136e-01 4.58 -1.210364070e-01 -1.210364070e-01 4.60 -1.133078866e-01 -1.133078866e-01 4.62 -1.059882719e-01 -1.059882719e-01 4.64 -9.906351582e-02 -9.906351582e-02 4.66 -9.250590491e-02 -9.250590491e-02 4.68 -8.628292475e-02 -8.628292475e-02 4.70 -8.038022111e-02 -8.038022111e-02 4.72 -7.477997686e-02 -7.477997686e-02 4.74 -6.947155424e-02 -6.947155424e-02 4.76 -6.444497595e-02 -6.444497595e-02 4.78 -5.969057325e-02 -5.969057325e-02 4.80 -5.519897880e-02 -5.519897880e-02 4.82 -5.096111978e-02 -5.096111978e-02 4.84 -4.696821151e-02 -4.696821151e-02 4.86 -4.321174691e-02 -4.321174691e-02 4.88 -3.968349179e-02 -3.968349179e-02 4.90 -3.636877977e-02 -3.636877977e-02 4.92 -3.324556516e-02 -3.324556516e-02 4.94 -3.030661739e-02 -3.030661739e-02 4.96 -2.754538411e-02 -2.754538411e-02 4.98 -2.495517314e-02 -2.495517314e-02 5.00 -2.253013693e-02 -2.253013693e-02 5.02 -2.026466806e-02 -2.026466806e-02 5.04 -1.815327580e-02 -1.815327580e-02 5.06 -1.619049616e-02 -1.619049616e-02 5.08 -1.437108703e-02 -1.437108703e-02 5.10 -1.269003162e-02 -1.269003162e-02 5.12 -1.114244607e-02 -1.114244607e-02 5.14 -9.723584989e-03 -9.723584989e-03 5.16 -8.428845136e-03 -8.428845136e-03 5.18 -7.253767430e-03 -7.253767430e-03 5.20 -6.194037634e-03 -6.194037634e-03 5.22 -5.245485894e-03 -5.245485894e-03 5.24 -4.404085373e-03 -4.404085373e-03 5.26 -3.665950127e-03 -3.665950127e-03 5.28 -3.027332386e-03 -3.027332386e-03 5.30 -2.484619359e-03 -2.484619359e-03 5.32 -2.034329678e-03 -2.034329678e-03 5.34 -1.673109566e-03 -1.673109566e-03 5.36 -1.397728477e-03 -1.397728477e-03 5.38 -1.178047226e-03 -1.178047226e-03 5.40 -9.853619761e-04 -9.853619761e-04 5.42 -8.176946545e-04 -8.176946545e-04 5.44 -6.681299076e-04 -6.681299076e-04 5.46 -5.350899714e-04 -5.350899714e-04 5.48 -4.180501717e-04 -4.180501717e-04 5.50 -3.165023209e-04 -3.165023209e-04 5.52 -2.299542432e-04 -2.299542432e-04 5.54 -1.579293055e-04 -1.579293055e-04 5.56 -9.996595510e-05 -9.996595510e-05 5.58 -5.561726585e-05 -5.561726585e-05 5.60 -2.445049194e-05 -2.445049194e-05 5.62 -6.046631599e-06 -6.046631599e-06 5.64 1.559016533e-11 1.559016533e-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