# 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 = Ag2NiPd # 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 4.756341834e+06 4.756341834e+06 0.88 4.330405267e+06 4.330405267e+06 0.90 3.941918509e+06 3.941918509e+06 0.92 3.586896026e+06 3.586896026e+06 0.94 3.261835986e+06 3.261835986e+06 0.96 2.963677479e+06 2.963677479e+06 0.98 2.689722701e+06 2.689722701e+06 1.00 2.437577482e+06 2.437577482e+06 1.02 2.205159472e+06 2.205159472e+06 1.04 1.990616034e+06 1.990616034e+06 1.06 1.792297666e+06 1.792297666e+06 1.08 1.608751996e+06 1.608751996e+06 1.10 1.438622295e+06 1.438622295e+06 1.12 1.280725788e+06 1.280725788e+06 1.14 1.134013056e+06 1.134013056e+06 1.16 9.975124580e+05 9.975124580e+05 1.18 8.703806039e+05 8.703806039e+05 1.20 7.518515176e+05 7.518515176e+05 1.22 6.412176814e+05 6.412176814e+05 1.24 5.378466772e+05 5.378466772e+05 1.26 4.415708856e+05 4.415708856e+05 1.28 3.548120804e+05 3.548120804e+05 1.30 2.822784377e+05 2.822784377e+05 1.32 2.249593582e+05 2.249593582e+05 1.34 1.795607661e+05 1.795607661e+05 1.36 1.435389058e+05 1.435389058e+05 1.38 1.149047689e+05 1.149047689e+05 1.40 9.210377200e+04 9.210377200e+04 1.42 7.391944633e+04 7.391944633e+04 1.44 5.939201542e+04 5.939201542e+04 1.46 4.776915335e+04 4.776915335e+04 1.48 3.845879791e+04 3.845879791e+04 1.50 3.099069827e+04 3.099069827e+04 1.52 2.499311168e+04 2.499311168e+04 1.54 2.017171404e+04 2.017171404e+04 1.56 1.629181752e+04 1.629181752e+04 1.58 1.316579699e+04 1.316579699e+04 1.60 1.064452351e+04 1.064452351e+04 1.62 8.609603475e+03 8.609603475e+03 1.64 6.965913599e+03 6.965913599e+03 1.66 5.637041765e+03 5.637041765e+03 1.68 4.562058220e+03 4.562058220e+03 1.70 3.692166722e+03 3.692166722e+03 1.72 2.988065335e+03 2.988065335e+03 1.74 2.417981637e+03 2.417981637e+03 1.76 1.956275030e+03 1.956275030e+03 1.78 1.582321748e+03 1.582321748e+03 1.80 1.279421823e+03 1.279421823e+03 1.82 1.034029208e+03 1.034029208e+03 1.84 8.352550218e+02 8.352550218e+02 1.86 6.742783713e+02 6.742783713e+02 1.88 5.439469842e+02 5.439469842e+02 1.90 4.384499601e+02 4.384499601e+02 1.92 3.530790177e+02 3.530790177e+02 1.94 2.840224023e+02 2.840224023e+02 1.96 2.281808219e+02 2.281808219e+02 1.98 1.830513521e+02 1.830513521e+02 2.00 1.466014116e+02 1.466014116e+02 2.02 1.171704821e+02 1.171704821e+02 2.04 9.342237962e+01 9.342237962e+01 2.06 7.427594254e+01 7.427594254e+01 2.08 5.885288948e+01 5.885288948e+01 2.10 4.643882014e+01 4.643882014e+01 2.12 3.645541116e+01 3.645541116e+01 2.14 2.843397833e+01 2.843397833e+01 2.16 2.199330257e+01 2.199330257e+01 2.18 1.682696918e+01 1.682696918e+01 2.20 1.268625450e+01 1.268625450e+01 2.22 9.369535799e+00 9.369535799e+00 2.24 6.715679463e+00 6.715679463e+00 2.26 4.594322736e+00 4.594322736e+00 2.28 2.900242478e+00 2.900242478e+00 2.30 1.548658034e+00 1.548658034e+00 2.32 4.712501720e-01 4.712501720e-01 2.34 -3.869330651e-01 -3.869330651e-01 2.36 -1.070011218e+00 -1.070011218e+00 2.38 -1.613345727e+00 -1.613345727e+00 2.40 -2.045216337e+00 -2.045216337e+00 2.42 -2.388191094e+00 -2.388191094e+00 2.44 -2.660235764e+00 -2.660235764e+00 2.46 -2.875619859e+00 -2.875619859e+00 2.48 -3.045651322e+00 -3.045651322e+00 2.50 -3.179265647e+00 -3.179265647e+00 2.52 -3.283521321e+00 -3.283521321e+00 2.54 -3.363982067e+00 -3.363982067e+00 2.56 -3.425001907e+00 -3.425001907e+00 2.58 -3.470009460e+00 -3.470009460e+00 2.60 -3.501710012e+00 -3.501710012e+00 2.62 -3.522237033e+00 -3.522237033e+00 2.64 -3.533276947e+00 -3.533276947e+00 2.66 -3.536168372e+00 -3.536168372e+00 2.68 -3.531980746e+00 -3.531980746e+00 2.70 -3.521562460e+00 -3.521562460e+00 2.72 -3.505603911e+00 -3.505603911e+00 2.74 -3.484688617e+00 -3.484688617e+00 2.76 -3.459308338e+00 -3.459308338e+00 2.78 -3.429885702e+00 -3.429885702e+00 2.80 -3.396791382e+00 -3.396791382e+00 2.82 -3.360314795e+00 -3.360314795e+00 2.84 -3.320701906e+00 -3.320701906e+00 2.86 -3.278211628e+00 -3.278211628e+00 2.88 -3.233105144e+00 -3.233105144e+00 2.90 -3.185629928e+00 -3.185629928e+00 2.92 -3.136022255e+00 -3.136022255e+00 2.94 -3.084508868e+00 -3.084508868e+00 2.96 -3.031268861e+00 -3.031268861e+00 2.98 -2.976404091e+00 -2.976404091e+00 3.00 -2.920080229e+00 -2.920080229e+00 3.02 -2.862484491e+00 -2.862484491e+00 3.04 -2.803801658e+00 -2.803801658e+00 3.06 -2.744209255e+00 -2.744209255e+00 3.08 -2.683877439e+00 -2.683877439e+00 3.10 -2.622968879e+00 -2.622968879e+00 3.12 -2.561638624e+00 -2.561638624e+00 3.14 -2.500033986e+00 -2.500033986e+00 3.16 -2.438294463e+00 -2.438294463e+00 3.18 -2.376551682e+00 -2.376551682e+00 3.20 -2.314929394e+00 -2.314929394e+00 3.22 -2.253543497e+00 -2.253543497e+00 3.24 -2.192502112e+00 -2.192502112e+00 3.26 -2.131905683e+00 -2.131905683e+00 3.28 -2.071847120e+00 -2.071847120e+00 3.30 -2.012391764e+00 -2.012391764e+00 3.32 -1.953587684e+00 -1.953587684e+00 3.34 -1.895507406e+00 -1.895507406e+00 3.36 -1.838217136e+00 -1.838217136e+00 3.38 -1.781776671e+00 -1.781776671e+00 3.40 -1.726239652e+00 -1.726239652e+00 3.42 -1.671653850e+00 -1.671653850e+00 3.44 -1.618061436e+00 -1.618061436e+00 3.46 -1.565495157e+00 -1.565495157e+00 3.48 -1.513926267e+00 -1.513926267e+00 3.50 -1.463362418e+00 -1.463362418e+00 3.52 -1.413827254e+00 -1.413827254e+00 3.54 -1.365340423e+00 -1.365340423e+00 3.56 -1.317917837e+00 -1.317917837e+00 3.58 -1.271571912e+00 -1.271571912e+00 3.60 -1.226311818e+00 -1.226311818e+00 3.62 -1.182143711e+00 -1.182143711e+00 3.64 -1.139070953e+00 -1.139070953e+00 3.66 -1.097094333e+00 -1.097094333e+00 3.68 -1.056212272e+00 -1.056212272e+00 3.70 -1.016421019e+00 -1.016421019e+00 3.72 -9.777148384e-01 -9.777148384e-01 3.74 -9.400861877e-01 -9.400861877e-01 3.76 -9.035258871e-01 -9.035258871e-01 3.78 -8.680232773e-01 -8.680232773e-01 3.80 -8.335663697e-01 -8.335663697e-01 3.82 -8.001419870e-01 -8.001419870e-01 3.84 -7.677358958e-01 -7.677358958e-01 3.86 -7.363329301e-01 -7.363329301e-01 3.88 -7.059171068e-01 -7.059171068e-01 3.90 -6.764717338e-01 -6.764717338e-01 3.92 -6.479795101e-01 -6.479795101e-01 3.94 -6.204226192e-01 -6.204226192e-01 3.96 -5.937828152e-01 -5.937828152e-01 3.98 -5.680415026e-01 -5.680415026e-01 4.00 -5.431798101e-01 -5.431798101e-01 4.02 -5.191786584e-01 -5.191786584e-01 4.04 -4.960188222e-01 -4.960188222e-01 4.06 -4.736809874e-01 -4.736809874e-01 4.08 -4.521458035e-01 -4.521458035e-01 4.10 -4.313939305e-01 -4.313939305e-01 4.12 -4.114060825e-01 -4.114060825e-01 4.14 -3.921630665e-01 -3.921630665e-01 4.16 -3.736458182e-01 -3.736458182e-01 4.18 -3.558354330e-01 -3.558354330e-01 4.20 -3.387131950e-01 -3.387131950e-01 4.22 -3.222528778e-01 -3.222528778e-01 4.24 -3.064285818e-01 -3.064285818e-01 4.26 -2.912229452e-01 -2.912229452e-01 4.28 -2.766188572e-01 -2.766188572e-01 4.30 -2.625994727e-01 -2.625994727e-01 4.32 -2.491482258e-01 -2.491482258e-01 4.34 -2.362488411e-01 -2.362488411e-01 4.36 -2.238853439e-01 -2.238853439e-01 4.38 -2.120420679e-01 -2.120420679e-01 4.40 -2.007036623e-01 -2.007036623e-01 4.42 -1.898550968e-01 -1.898550968e-01 4.44 -1.794816656e-01 -1.794816656e-01 4.46 -1.695689905e-01 -1.695689905e-01 4.48 -1.601030222e-01 -1.601030222e-01 4.50 -1.510700418e-01 -1.510700418e-01 4.52 -1.424566605e-01 -1.424566605e-01 4.54 -1.342498184e-01 -1.342498184e-01 4.56 -1.264367838e-01 -1.264367838e-01 4.58 -1.190051503e-01 -1.190051503e-01 4.60 -1.119428347e-01 -1.119428347e-01 4.62 -1.052380733e-01 -1.052380733e-01 4.64 -9.887941871e-02 -9.887941871e-02 4.66 -9.284454690e-02 -9.284454690e-02 4.68 -8.710726437e-02 -8.710726437e-02 4.70 -8.165794564e-02 -8.165794564e-02 4.72 -7.648735290e-02 -7.648735290e-02 4.74 -7.158650951e-02 -7.158650951e-02 4.76 -6.694669554e-02 -6.694669554e-02 4.78 -6.255944270e-02 -6.255944270e-02 4.80 -5.841652922e-02 -5.841652922e-02 4.82 -5.450995488e-02 -5.450995488e-02 4.84 -5.083168798e-02 -5.083168798e-02 4.86 -4.737168396e-02 -4.737168396e-02 4.88 -4.410746995e-02 -4.410746995e-02 4.90 -4.102121011e-02 -4.102121011e-02 4.92 -3.808754841e-02 -3.808754841e-02 4.94 -3.530097927e-02 -3.530097927e-02 4.96 -3.265684636e-02 -3.265684636e-02 4.98 -3.015062046e-02 -3.015062046e-02 5.00 -2.777789932e-02 -2.777789932e-02 5.02 -2.553440571e-02 -2.553440571e-02 5.04 -2.341598554e-02 -2.341598554e-02 5.06 -2.141860696e-02 -2.141860696e-02 5.08 -1.953835830e-02 -1.953835830e-02 5.10 -1.777144585e-02 -1.777144585e-02 5.12 -1.611419139e-02 -1.611419139e-02 5.14 -1.456302972e-02 -1.456302972e-02 5.16 -1.311444032e-02 -1.311444032e-02 5.18 -1.176485174e-02 -1.176485174e-02 5.20 -1.051113070e-02 -1.051113070e-02 5.22 -9.350249619e-03 -9.350249619e-03 5.24 -8.279248850e-03 -8.279248850e-03 5.26 -7.295239841e-03 -7.295239841e-03 5.28 -6.395407485e-03 -6.395407485e-03 5.30 -5.577011716e-03 -5.577011716e-03 5.32 -4.837388465e-03 -4.837388465e-03 5.34 -4.173950081e-03 -4.173950081e-03 5.36 -3.584185149e-03 -3.584185149e-03 5.38 -3.054766066e-03 -3.054766066e-03 5.40 -2.572972430e-03 -2.572972430e-03 5.42 -2.137295352e-03 -2.137295352e-03 5.44 -1.746269908e-03 -1.746269908e-03 5.46 -1.398474949e-03 -1.398474949e-03 5.48 -1.092532591e-03 -1.092532591e-03 5.50 -8.271075536e-04 -8.271075536e-04 5.52 -6.009063806e-04 -6.009063806e-04 5.54 -4.126765561e-04 -4.126765561e-04 5.56 -2.612055453e-04 -2.612055453e-04 5.58 -1.453197744e-04 -1.453197744e-04 5.60 -6.388356552e-05 -6.388356552e-05 5.62 -1.579803959e-05 -1.579803959e-05 5.64 4.073148316e-11 4.073148315e-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