# 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 = NiPdPt2 # 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 6.221895091e+06 6.221895091e+06 0.88 5.692689690e+06 5.692689690e+06 0.90 5.210569885e+06 5.210569885e+06 0.92 4.770524184e+06 4.770524184e+06 0.94 4.368141683e+06 4.368141683e+06 0.96 3.999537224e+06 3.999537224e+06 0.98 3.661341303e+06 3.661341303e+06 1.00 3.350571707e+06 3.350571707e+06 1.02 3.064591453e+06 3.064591453e+06 1.04 2.801033872e+06 2.801033872e+06 1.06 2.557793590e+06 2.557793590e+06 1.08 2.333030289e+06 2.333030289e+06 1.10 2.125074060e+06 2.125074060e+06 1.12 1.932430255e+06 1.932430255e+06 1.14 1.753766588e+06 1.753766588e+06 1.16 1.587867444e+06 1.587867444e+06 1.18 1.433667177e+06 1.433667177e+06 1.20 1.290203991e+06 1.290203991e+06 1.22 1.156609245e+06 1.156609245e+06 1.24 1.032077122e+06 1.032077122e+06 1.26 9.158907402e+05 9.158907402e+05 1.28 8.073984089e+05 8.073984089e+05 1.30 7.060111227e+05 7.060111227e+05 1.32 6.111792578e+05 6.111792578e+05 1.34 5.224037214e+05 5.224037214e+05 1.36 4.392394194e+05 4.392394194e+05 1.38 3.615258462e+05 3.615258462e+05 1.40 2.936056852e+05 2.936056852e+05 1.42 2.355159837e+05 2.355159837e+05 1.44 1.868113746e+05 1.868113746e+05 1.46 1.481999198e+05 1.481999198e+05 1.48 1.176667550e+05 1.176667550e+05 1.50 9.349443710e+04 9.349443710e+04 1.52 7.433738833e+04 7.433738833e+04 1.54 5.914121867e+04 5.914121867e+04 1.56 4.707635724e+04 4.707635724e+04 1.58 3.748822553e+04 3.748822553e+04 1.60 2.986146099e+04 2.986146099e+04 1.62 2.379069807e+04 2.379069807e+04 1.64 1.895601988e+04 1.895601988e+04 1.66 1.510416986e+04 1.510416986e+04 1.68 1.203433409e+04 1.203433409e+04 1.70 9.587167566e+03 9.587167566e+03 1.72 7.636064810e+03 7.636064810e+03 1.74 6.080161141e+03 6.080161141e+03 1.76 4.839360581e+03 4.839360581e+03 1.78 3.849933521e+03 3.849933521e+03 1.80 3.061054279e+03 3.061054279e+03 1.82 2.432120270e+03 2.432120270e+03 1.84 1.930815010e+03 1.930815010e+03 1.86 1.531416964e+03 1.531416964e+03 1.88 1.213377326e+03 1.213377326e+03 1.90 9.602717474e+02 9.602717474e+02 1.92 7.589720708e+02 7.589720708e+02 1.94 5.989810911e+02 5.989810911e+02 1.96 4.719229156e+02 4.719229156e+02 1.98 3.711180994e+02 3.711180994e+02 2.00 2.912280615e+02 2.912280615e+02 2.02 2.279866420e+02 2.279866420e+02 2.04 1.779861740e+02 1.779861740e+02 2.06 1.385061647e+02 1.385061647e+02 2.08 1.073758219e+02 1.073758219e+02 2.10 8.285832317e+01 8.285832317e+01 2.12 6.357420115e+01 6.357420115e+01 2.14 4.843037961e+01 4.843037961e+01 2.16 3.655715605e+01 3.655715605e+01 2.18 2.726343583e+01 2.726343583e+01 2.20 2.000233856e+01 2.000233856e+01 2.22 1.434000168e+01 1.434000168e+01 2.24 9.932566705e+00 9.932566705e+00 2.26 6.508017821e+00 6.508017821e+00 2.28 3.851609910e+00 3.851609910e+00 2.30 1.794185785e+00 1.794185785e+00 2.32 2.028179256e-01 2.028179256e-01 2.34 -1.026680242e+00 -1.026680242e+00 2.36 -1.975741074e+00 -1.975741074e+00 2.38 -2.707811278e+00 -2.707811278e+00 2.40 -3.272162023e+00 -3.272162023e+00 2.42 -3.706940154e+00 -3.706940154e+00 2.44 -4.041570086e+00 -4.041570086e+00 2.46 -4.298658520e+00 -4.298658520e+00 2.48 -4.495516554e+00 -4.495516554e+00 2.50 -4.645346090e+00 -4.645346090e+00 2.52 -4.758177552e+00 -4.758177552e+00 2.54 -4.841603699e+00 -4.841603699e+00 2.56 -4.901330163e+00 -4.901330163e+00 2.58 -4.941668586e+00 -4.941668586e+00 2.60 -4.965876675e+00 -4.965876675e+00 2.62 -4.976418440e+00 -4.976418440e+00 2.64 -4.975169735e+00 -4.975169735e+00 2.66 -4.963575079e+00 -4.963575079e+00 2.68 -4.942766395e+00 -4.942766395e+00 2.70 -4.913638649e+00 -4.913638649e+00 2.72 -4.876923299e+00 -4.876923299e+00 2.74 -4.833244963e+00 -4.833244963e+00 2.76 -4.783168660e+00 -4.783168660e+00 2.78 -4.727209765e+00 -4.727209765e+00 2.80 -4.665850066e+00 -4.665850066e+00 2.82 -4.599496634e+00 -4.599496634e+00 2.84 -4.528521458e+00 -4.528521458e+00 2.86 -4.453293550e+00 -4.453293550e+00 2.88 -4.374224488e+00 -4.374224488e+00 2.90 -4.291719904e+00 -4.291719904e+00 2.92 -4.206176548e+00 -4.206176548e+00 2.94 -4.117981502e+00 -4.117981502e+00 2.96 -4.027511047e+00 -4.027511047e+00 2.98 -3.935124826e+00 -3.935124826e+00 3.00 -3.841145609e+00 -3.841145609e+00 3.02 -3.745903397e+00 -3.745903397e+00 3.04 -3.649717044e+00 -3.649717044e+00 3.06 -3.552888954e+00 -3.552888954e+00 3.08 -3.455704474e+00 -3.455704474e+00 3.10 -3.358431473e+00 -3.358431473e+00 3.12 -3.261320104e+00 -3.261320104e+00 3.14 -3.164602734e+00 -3.164602734e+00 3.16 -3.068494042e+00 -3.068494042e+00 3.18 -2.973191246e+00 -2.973191246e+00 3.20 -2.878874459e+00 -2.878874459e+00 3.22 -2.785707153e+00 -2.785707153e+00 3.24 -2.693836699e+00 -2.693836699e+00 3.26 -2.603394994e+00 -2.603394994e+00 3.28 -2.514499125e+00 -2.514499125e+00 3.30 -2.427231444e+00 -2.427231444e+00 3.32 -2.341645418e+00 -2.341645418e+00 3.34 -2.257760450e+00 -2.257760450e+00 3.36 -2.175627450e+00 -2.175627450e+00 3.38 -2.095303575e+00 -2.095303575e+00 3.40 -2.016835950e+00 -2.016835950e+00 3.42 -1.940262372e+00 -1.940262372e+00 3.44 -1.865611993e+00 -1.865611993e+00 3.46 -1.792905984e+00 -1.792905984e+00 3.48 -1.722158181e+00 -1.722158181e+00 3.50 -1.653375698e+00 -1.653375698e+00 3.52 -1.586559521e+00 -1.586559521e+00 3.54 -1.521705067e+00 -1.521705067e+00 3.56 -1.458802717e+00 -1.458802717e+00 3.58 -1.397838325e+00 -1.397838325e+00 3.60 -1.338793681e+00 -1.338793681e+00 3.62 -1.281646967e+00 -1.281646967e+00 3.64 -1.226373167e+00 -1.226373167e+00 3.66 -1.172944453e+00 -1.172944453e+00 3.68 -1.121330552e+00 -1.121330552e+00 3.70 -1.071499074e+00 -1.071499074e+00 3.72 -1.023415823e+00 -1.023415823e+00 3.74 -9.770450823e-01 -9.770450823e-01 3.76 -9.323498757e-01 -9.323498757e-01 3.78 -8.892922069e-01 -8.892922069e-01 3.80 -8.478332785e-01 -8.478332785e-01 3.82 -8.079336924e-01 -8.079336924e-01 3.84 -7.695536300e-01 -7.695536300e-01 3.86 -7.326530173e-01 -7.326530173e-01 3.88 -6.971916723e-01 -6.971916723e-01 3.90 -6.631294387e-01 -6.631294387e-01 3.92 -6.304263045e-01 -6.304263045e-01 3.94 -5.990425088e-01 -5.990425088e-01 3.96 -5.689386359e-01 -5.689386359e-01 3.98 -5.400756985e-01 -5.400756985e-01 4.00 -5.124152111e-01 -5.124152111e-01 4.02 -4.859192533e-01 -4.859192533e-01 4.04 -4.605505252e-01 -4.605505252e-01 4.06 -4.362723948e-01 -4.362723948e-01 4.08 -4.130489373e-01 -4.130489373e-01 4.10 -3.908449693e-01 -3.908449693e-01 4.12 -3.696260759e-01 -3.696260759e-01 4.14 -3.493586327e-01 -3.493586327e-01 4.16 -3.300098231e-01 -3.300098231e-01 4.18 -3.115476508e-01 -3.115476508e-01 4.20 -2.939409487e-01 -2.939409487e-01 4.22 -2.771515042e-01 -2.771515042e-01 4.24 -2.611420513e-01 -2.611420513e-01 4.26 -2.458846143e-01 -2.458846143e-01 4.28 -2.313520242e-01 -2.313520242e-01 4.30 -2.175179122e-01 -2.175179122e-01 4.32 -2.043567028e-01 -2.043567028e-01 4.34 -1.918436044e-01 -1.918436044e-01 4.36 -1.799545994e-01 -1.799545994e-01 4.38 -1.686664322e-01 -1.686664322e-01 4.40 -1.579565965e-01 -1.579565965e-01 4.42 -1.478033216e-01 -1.478033216e-01 4.44 -1.381855577e-01 -1.381855577e-01 4.46 -1.290829608e-01 -1.290829608e-01 4.48 -1.204758769e-01 -1.204758769e-01 4.50 -1.123453258e-01 -1.123453258e-01 4.52 -1.046729846e-01 -1.046729846e-01 4.54 -9.744117121e-02 -9.744117121e-02 4.56 -9.063282705e-02 -9.063282705e-02 4.58 -8.423150038e-02 -8.423150038e-02 4.60 -7.822132927e-02 -7.822132927e-02 4.62 -7.258702460e-02 -7.258702460e-02 4.64 -6.731385327e-02 -6.731385327e-02 4.66 -6.237626384e-02 -6.237626384e-02 4.68 -5.774501877e-02 -5.774501877e-02 4.70 -5.339969672e-02 -5.339969672e-02 4.72 -4.930863643e-02 -4.930863643e-02 4.74 -4.546103126e-02 -4.546103126e-02 4.76 -4.184746419e-02 -4.184746419e-02 4.78 -3.845886658e-02 -3.845886658e-02 4.80 -3.528650650e-02 -3.528650650e-02 4.82 -3.232191766e-02 -3.232191766e-02 4.84 -2.955666700e-02 -2.955666700e-02 4.86 -2.697922986e-02 -2.697922986e-02 4.88 -2.455938252e-02 -2.455938252e-02 4.90 -2.228724248e-02 -2.228724248e-02 4.92 -2.015726809e-02 -2.015726809e-02 4.94 -1.816407583e-02 -1.816407583e-02 4.96 -1.630244401e-02 -1.630244401e-02 4.98 -1.456731551e-02 -1.456731551e-02 5.00 -1.295379905e-02 -1.295379905e-02 5.02 -1.145716916e-02 -1.145716916e-02 5.04 -1.007286512e-02 -1.007286512e-02 5.06 -8.796489077e-03 -8.796489077e-03 5.08 -7.623803394e-03 -7.623803394e-03 5.10 -6.550727556e-03 -6.550727556e-03 5.12 -5.573334563e-03 -5.573334563e-03 5.14 -4.687847019e-03 -4.687847019e-03 5.16 -3.890632966e-03 -3.890632966e-03 5.18 -3.178201539e-03 -3.178201539e-03 5.20 -2.547198513e-03 -2.547198513e-03 5.22 -1.994401767e-03 -1.994401767e-03 5.24 -1.516716741e-03 -1.516716741e-03 5.26 -1.111171887e-03 -1.111171887e-03 5.28 -7.749141687e-04 -7.749141687e-04 5.30 -5.052046187e-04 -5.052046187e-04 5.32 -2.994139747e-04 -2.994139747e-04 5.34 -1.550184124e-04 -1.550184124e-04 5.36 -6.959518071e-05 -6.959518071e-05 5.38 -2.468288407e-05 -2.468288407e-05 5.40 -2.702185096e-06 -2.702185096e-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 0.000000000e+00 5.64 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