# 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 = Ag2AuNi # 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 5.282509188e+06 5.282509188e+06 0.88 4.802543571e+06 4.802543571e+06 0.90 4.364826142e+06 4.364826142e+06 0.92 3.964882186e+06 3.964882186e+06 0.94 3.598746939e+06 3.598746939e+06 0.96 3.262992821e+06 3.262992821e+06 0.98 2.954538326e+06 2.954538326e+06 1.00 2.670673459e+06 2.670673459e+06 1.02 2.409032281e+06 2.409032281e+06 1.04 2.167557988e+06 2.167557988e+06 1.06 1.944391446e+06 1.944391446e+06 1.08 1.737888462e+06 1.737888462e+06 1.10 1.546514660e+06 1.546514660e+06 1.12 1.368937046e+06 1.368937046e+06 1.14 1.203968853e+06 1.203968853e+06 1.16 1.050516615e+06 1.050516615e+06 1.18 9.076251783e+05 9.076251783e+05 1.20 7.744230546e+05 7.744230546e+05 1.22 6.501063103e+05 6.501063103e+05 1.24 5.340515019e+05 5.340515019e+05 1.26 4.294863788e+05 4.294863788e+05 1.28 3.409281078e+05 3.409281078e+05 1.30 2.709843489e+05 2.709843489e+05 1.32 2.157618507e+05 2.157618507e+05 1.34 1.720675944e+05 1.720675944e+05 1.36 1.374319742e+05 1.374319742e+05 1.38 1.099237913e+05 1.099237913e+05 1.40 8.803456596e+04 8.803456596e+04 1.42 7.059018704e+04 7.059018704e+04 1.44 5.666612478e+04 5.666612478e+04 1.46 4.553638597e+04 4.553638597e+04 1.48 3.662922078e+04 3.662922078e+04 1.50 2.949066968e+04 2.949066968e+04 1.52 2.376206180e+04 2.376206180e+04 1.54 1.916040771e+04 1.916040771e+04 1.56 1.546030724e+04 1.546030724e+04 1.58 1.248202307e+04 1.248202307e+04 1.60 1.008291824e+04 1.008291824e+04 1.62 8.148991416e+03 8.148991416e+03 1.64 6.588681030e+03 6.588681030e+03 1.66 5.328473042e+03 5.328473042e+03 1.68 4.309722935e+03 4.309722935e+03 1.70 3.485859840e+03 3.485859840e+03 1.72 2.819441916e+03 2.819441916e+03 1.74 2.280216300e+03 2.280216300e+03 1.76 1.843781109e+03 1.843781109e+03 1.78 1.490525290e+03 1.490525290e+03 1.80 1.204599893e+03 1.204599893e+03 1.82 9.731859893e+02 9.731859893e+02 1.84 7.859111559e+02 7.859111559e+02 1.86 6.343795458e+02 6.343795458e+02 1.88 5.117926847e+02 5.117926847e+02 1.90 4.126113210e+02 4.126113210e+02 1.92 3.323737389e+02 3.323737389e+02 1.94 2.674869410e+02 2.674869410e+02 1.96 2.150303647e+02 2.150303647e+02 1.98 1.726453323e+02 1.726453323e+02 2.00 1.384168606e+02 1.384168606e+02 2.02 1.107806786e+02 1.107806786e+02 2.04 8.847977786e+01 8.847977786e+01 2.06 7.049742989e+01 7.049742989e+01 2.08 5.600803580e+01 5.600803580e+01 2.10 4.434155454e+01 4.434155454e+01 2.12 3.495437741e+01 3.495437741e+01 2.14 2.740598908e+01 2.740598908e+01 2.16 2.133975724e+01 2.133975724e+01 2.18 1.646704473e+01 1.646704473e+01 2.20 1.255359497e+01 1.255359497e+01 2.22 9.410088071e+00 9.410088071e+00 2.24 6.885580533e+00 6.885580533e+00 2.26 4.857761278e+00 4.857761278e+00 2.28 3.228424017e+00 3.228424017e+00 2.30 1.918850245e+00 1.918850245e+00 2.32 8.656343405e-01 8.656343405e-01 2.34 1.779232086e-02 1.779232086e-02 2.36 -6.655974159e-01 -6.655974159e-01 2.38 -1.217317956e+00 -1.217317956e+00 2.40 -1.663581106e+00 -1.663581106e+00 2.42 -2.025302670e+00 -2.025302670e+00 2.44 -2.319138862e+00 -2.319138862e+00 2.46 -2.558324569e+00 -2.558324569e+00 2.48 -2.753341991e+00 -2.753341991e+00 2.50 -2.912486201e+00 -2.912486201e+00 2.52 -3.042320915e+00 -3.042320915e+00 2.54 -3.148031669e+00 -3.148031669e+00 2.56 -3.233685657e+00 -3.233685657e+00 2.58 -3.302503147e+00 -3.302503147e+00 2.60 -3.357040568e+00 -3.357040568e+00 2.62 -3.399328819e+00 -3.399328819e+00 2.64 -3.430988331e+00 -3.430988331e+00 2.66 -3.453320481e+00 -3.453320481e+00 2.68 -3.467379878e+00 -3.467379878e+00 2.70 -3.474031255e+00 -3.474031255e+00 2.72 -3.473994005e+00 -3.473994005e+00 2.74 -3.467876812e+00 -3.467876812e+00 2.76 -3.456204394e+00 -3.456204394e+00 2.78 -3.439437990e+00 -3.439437990e+00 2.80 -3.417990880e+00 -3.417990880e+00 2.82 -3.392239416e+00 -3.392239416e+00 2.84 -3.362499058e+00 -3.362499058e+00 2.86 -3.329071032e+00 -3.329071032e+00 2.88 -3.292264719e+00 -3.292264719e+00 2.90 -3.252375340e+00 -3.252375340e+00 2.92 -3.209686069e+00 -3.209686069e+00 2.94 -3.164469376e+00 -3.164469376e+00 2.96 -3.116919936e+00 -3.116919936e+00 2.98 -3.067151493e+00 -3.067151493e+00 3.00 -3.015366508e+00 -3.015366508e+00 3.02 -2.961787206e+00 -2.961787206e+00 3.04 -2.906631722e+00 -2.906631722e+00 3.06 -2.850109282e+00 -2.850109282e+00 3.08 -2.792420132e+00 -2.792420132e+00 3.10 -2.733755446e+00 -2.733755446e+00 3.12 -2.674297254e+00 -2.674297254e+00 3.14 -2.614218376e+00 -2.614218376e+00 3.16 -2.553682409e+00 -2.553682409e+00 3.18 -2.492843728e+00 -2.492843728e+00 3.20 -2.431847548e+00 -2.431847548e+00 3.22 -2.370830005e+00 -2.370830005e+00 3.24 -2.309918296e+00 -2.309918296e+00 3.26 -2.249230836e+00 -2.249230836e+00 3.28 -2.188877463e+00 -2.188877463e+00 3.30 -2.128959657e+00 -2.128959657e+00 3.32 -2.069570801e+00 -2.069570801e+00 3.34 -2.010796447e+00 -2.010796447e+00 3.36 -1.952714612e+00 -1.952714612e+00 3.38 -1.895396078e+00 -1.895396078e+00 3.40 -1.838904708e+00 -1.838904708e+00 3.42 -1.783297769e+00 -1.783297769e+00 3.44 -1.728626255e+00 -1.728626255e+00 3.46 -1.674922928e+00 -1.674922928e+00 3.48 -1.622135460e+00 -1.622135460e+00 3.50 -1.570276296e+00 -1.570276296e+00 3.52 -1.519376555e+00 -1.519376555e+00 3.54 -1.469462918e+00 -1.469462918e+00 3.56 -1.420557901e+00 -1.420557901e+00 3.58 -1.372680131e+00 -1.372680131e+00 3.60 -1.325844604e+00 -1.325844604e+00 3.62 -1.280062936e+00 -1.280062936e+00 3.64 -1.235343609e+00 -1.235343609e+00 3.66 -1.191692205e+00 -1.191692205e+00 3.68 -1.149111623e+00 -1.149111623e+00 3.70 -1.107602295e+00 -1.107602295e+00 3.72 -1.067162392e+00 -1.067162392e+00 3.74 -1.027788007e+00 -1.027788007e+00 3.76 -9.894733470e-01 -9.894733470e-01 3.78 -9.522108967e-01 -9.522108967e-01 3.80 -9.159915862e-01 -9.159915862e-01 3.82 -8.808049415e-01 -8.808049415e-01 3.84 -8.466392288e-01 -8.466392288e-01 3.86 -8.134815891e-01 -8.134815891e-01 3.88 -7.813181642e-01 -7.813181642e-01 3.90 -7.501342148e-01 -7.501342148e-01 3.92 -7.199142300e-01 -7.199142300e-01 3.94 -6.906420302e-01 -6.906420302e-01 3.96 -6.623008617e-01 -6.623008617e-01 3.98 -6.348734852e-01 -6.348734852e-01 4.00 -6.083422570e-01 -6.083422570e-01 4.02 -5.826892051e-01 -5.826892051e-01 4.04 -5.578960980e-01 -5.578960980e-01 4.06 -5.339445093e-01 -5.339445093e-01 4.08 -5.108158757e-01 -5.108158757e-01 4.10 -4.884915516e-01 -4.884915516e-01 4.12 -4.669528575e-01 -4.669528575e-01 4.14 -4.461811254e-01 -4.461811254e-01 4.16 -4.261577389e-01 -4.261577389e-01 4.18 -4.068641704e-01 -4.068641704e-01 4.20 -3.882820146e-01 -3.882820146e-01 4.22 -3.703823930e-01 -3.703823930e-01 4.24 -3.531366839e-01 -3.531366839e-01 4.26 -3.365278425e-01 -3.365278425e-01 4.28 -3.205390256e-01 -3.205390256e-01 4.30 -3.051536095e-01 -3.051536095e-01 4.32 -2.903552062e-01 -2.903552062e-01 4.34 -2.761276777e-01 -2.761276777e-01 4.36 -2.624551484e-01 -2.624551484e-01 4.38 -2.493220164e-01 -2.493220164e-01 4.40 -2.367129621e-01 -2.367129621e-01 4.42 -2.246129557e-01 -2.246129557e-01 4.44 -2.130072642e-01 -2.130072642e-01 4.46 -2.018814555e-01 -2.018814555e-01 4.48 -1.912214027e-01 -1.912214027e-01 4.50 -1.810132866e-01 -1.810132866e-01 4.52 -1.712435979e-01 -1.712435979e-01 4.54 -1.618991375e-01 -1.618991375e-01 4.56 -1.529670173e-01 -1.529670173e-01 4.58 -1.444346588e-01 -1.444346588e-01 4.60 -1.362897926e-01 -1.362897926e-01 4.62 -1.285204561e-01 -1.285204561e-01 4.64 -1.211149911e-01 -1.211149911e-01 4.66 -1.140620411e-01 -1.140620411e-01 4.68 -1.073505483e-01 -1.073505483e-01 4.70 -1.009697491e-01 -1.009697491e-01 4.72 -9.490917101e-02 -9.490917101e-02 4.74 -8.915862800e-02 -8.915862800e-02 4.76 -8.370821597e-02 -8.370821597e-02 4.78 -7.854830873e-02 -7.854830873e-02 4.80 -7.366955208e-02 -7.366955208e-02 4.82 -6.906285809e-02 -6.906285809e-02 4.84 -6.471940117e-02 -6.471940117e-02 4.86 -6.062801155e-02 -6.062801155e-02 4.88 -5.676468753e-02 -5.676468753e-02 4.90 -5.309917896e-02 -5.309917896e-02 4.92 -4.960041610e-02 -4.960041610e-02 4.94 -4.626252827e-02 -4.626252827e-02 4.96 -4.308050681e-02 -4.308050681e-02 4.98 -4.004932232e-02 -4.004932232e-02 5.00 -3.716423271e-02 -3.716423271e-02 5.02 -3.442073272e-02 -3.442073272e-02 5.04 -3.181443144e-02 -3.181443144e-02 5.06 -2.934105332e-02 -2.934105332e-02 5.08 -2.699643756e-02 -2.699643756e-02 5.10 -2.477653715e-02 -2.477653715e-02 5.12 -2.267741770e-02 -2.267741770e-02 5.14 -2.069525593e-02 -2.069525593e-02 5.16 -1.882625039e-02 -1.882625039e-02 5.18 -1.706649575e-02 -1.706649575e-02 5.20 -1.541263673e-02 -1.541263673e-02 5.22 -1.386142630e-02 -1.386142630e-02 5.24 -1.240967679e-02 -1.240967679e-02 5.26 -1.105426561e-02 -1.105426561e-02 5.28 -9.792139759e-03 -9.792139759e-03 5.30 -8.620319257e-03 -8.620319257e-03 5.32 -7.535899672e-03 -7.535899672e-03 5.34 -6.536053872e-03 -6.536053872e-03 5.36 -5.618033088e-03 -5.618033088e-03 5.38 -4.779167401e-03 -4.779167401e-03 5.40 -4.016865742e-03 -4.016865742e-03 5.42 -3.328615477e-03 -3.328615477e-03 5.44 -2.711981636e-03 -2.711981636e-03 5.46 -2.164605861e-03 -2.164605861e-03 5.48 -1.684205110e-03 -1.684205110e-03 5.50 -1.268570166e-03 -1.268570166e-03 5.52 -9.155639944e-04 -9.155639944e-04 5.54 -6.231199761e-04 -6.231199761e-04 5.56 -3.892400479e-04 -3.892400479e-04 5.58 -2.119927772e-04 -2.119927772e-04 5.60 -8.951138978e-05 -8.951138978e-05 5.62 -1.999177141e-05 -1.999177141e-05 5.64 4.713226852e-11 4.713226853e-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