# 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 = AgNiPd2 # 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 4.003544903e+06 4.003544903e+06 0.88 3.655528192e+06 3.655528192e+06 0.90 3.338155922e+06 3.338155922e+06 0.92 3.048162180e+06 3.048162180e+06 0.94 2.782676871e+06 2.782676871e+06 0.96 2.539177329e+06 2.539177329e+06 0.98 2.315472671e+06 2.315472671e+06 1.00 2.109607470e+06 2.109607470e+06 1.02 1.919884833e+06 1.919884833e+06 1.04 1.744760695e+06 1.744760695e+06 1.06 1.582873372e+06 1.582873372e+06 1.08 1.433043011e+06 1.433043011e+06 1.10 1.294167123e+06 1.294167123e+06 1.12 1.165292968e+06 1.165292968e+06 1.14 1.045570539e+06 1.045570539e+06 1.16 9.342114992e+05 9.342114992e+05 1.18 8.305231058e+05 8.305231058e+05 1.20 7.338823526e+05 7.338823526e+05 1.22 6.437169885e+05 6.437169885e+05 1.24 5.594817030e+05 5.594817030e+05 1.26 4.807197881e+05 4.807197881e+05 1.28 4.070188748e+05 4.070188748e+05 1.30 3.380205546e+05 3.380205546e+05 1.32 2.743794803e+05 2.743794803e+05 1.34 2.192187500e+05 2.192187500e+05 1.36 1.751717000e+05 1.751717000e+05 1.38 1.401735202e+05 1.401735202e+05 1.40 1.123198620e+05 1.123198620e+05 1.42 9.011589315e+04 9.011589315e+04 1.44 7.238371197e+04 7.238371197e+04 1.46 5.820245156e+04 5.820245156e+04 1.48 4.684686583e+04 4.684686583e+04 1.50 3.774202436e+04 3.774202436e+04 1.52 3.043319333e+04 3.043319333e+04 1.54 2.455998072e+04 2.455998072e+04 1.56 1.983544129e+04 1.983544129e+04 1.58 1.603034965e+04 1.603034965e+04 1.60 1.296133103e+04 1.296133103e+04 1.62 1.048412724e+04 1.048412724e+04 1.64 8.483319867e+03 8.483319867e+03 1.66 6.866161991e+03 6.866161991e+03 1.68 5.558406704e+03 5.558406704e+03 1.70 4.500418678e+03 4.500418678e+03 1.72 3.644181042e+03 3.644181042e+03 1.74 2.950907669e+03 2.950907669e+03 1.76 2.389374688e+03 2.389374688e+03 1.78 1.934466924e+03 1.934466924e+03 1.80 1.565831574e+03 1.565831574e+03 1.82 1.266930244e+03 1.266930244e+03 1.84 1.024586284e+03 1.024586284e+03 1.86 8.281298133e+02 8.281298133e+02 1.88 6.689056649e+02 6.689056649e+02 1.90 5.398678225e+02 5.398678225e+02 1.92 4.353117913e+02 4.353117913e+02 1.94 3.506279821e+02 3.506279821e+02 1.96 2.820719873e+02 2.820719873e+02 1.98 2.266022718e+02 2.266022718e+02 2.00 1.817466267e+02 1.817466267e+02 2.02 1.454884553e+02 1.454884553e+02 2.04 1.161986286e+02 1.161986286e+02 2.06 9.255648023e+01 9.255648023e+01 2.08 7.348878182e+01 7.348878182e+01 2.10 5.812336763e+01 5.812336763e+01 2.12 4.575216407e+01 4.575216407e+01 2.14 3.579982566e+01 3.579982566e+01 2.16 2.779641960e+01 2.779641960e+01 2.18 2.136732742e+01 2.136732742e+01 2.20 1.620895678e+01 1.620895678e+01 2.22 1.207488372e+01 1.207488372e+01 2.24 8.766289394e+00 8.766289394e+00 2.26 6.122107466e+00 6.122107466e+00 2.28 4.012007144e+00 4.012007144e+00 2.30 2.330656205e+00 2.330656205e+00 2.32 9.930410215e-01 9.930410215e-01 2.34 -6.933838777e-02 -6.933838777e-02 2.36 -9.115861303e-01 -9.115861303e-01 2.38 -1.577967902e+00 -1.577967902e+00 2.40 -2.103972936e+00 -2.103972936e+00 2.42 -2.517999933e+00 -2.517999933e+00 2.44 -2.842740291e+00 -2.842740291e+00 2.46 -3.096286723e+00 -3.096286723e+00 2.48 -3.292989542e+00 -3.292989542e+00 2.50 -3.444230292e+00 -3.444230292e+00 2.52 -3.559034532e+00 -3.559034532e+00 2.54 -3.644542981e+00 -3.644542981e+00 2.56 -3.706362426e+00 -3.706362426e+00 2.58 -3.748935982e+00 -3.748935982e+00 2.60 -3.775775899e+00 -3.775775899e+00 2.62 -3.789651989e+00 -3.789651989e+00 2.64 -3.792750805e+00 -3.792750805e+00 2.66 -3.786802581e+00 -3.786802581e+00 2.68 -3.773182083e+00 -3.773182083e+00 2.70 -3.752961735e+00 -3.752961735e+00 2.72 -3.727000110e+00 -3.727000110e+00 2.74 -3.696018626e+00 -3.696018626e+00 2.76 -3.660613933e+00 -3.660613933e+00 2.78 -3.621287748e+00 -3.621287748e+00 2.80 -3.578469671e+00 -3.578469671e+00 2.82 -3.532453161e+00 -3.532453161e+00 2.84 -3.483492701e+00 -3.483492701e+00 2.86 -3.431879935e+00 -3.431879935e+00 2.88 -3.377890748e+00 -3.377890748e+00 2.90 -3.321780758e+00 -3.321780758e+00 2.92 -3.263789321e+00 -3.263789321e+00 2.94 -3.204142407e+00 -3.204142407e+00 2.96 -3.143035005e+00 -3.143035005e+00 2.98 -3.080615892e+00 -3.080615892e+00 3.00 -3.017051560e+00 -3.017051560e+00 3.02 -2.952523631e+00 -2.952523631e+00 3.04 -2.887209958e+00 -2.887209958e+00 3.06 -2.821280595e+00 -2.821280595e+00 3.08 -2.754897891e+00 -2.754897891e+00 3.10 -2.688216499e+00 -2.688216499e+00 3.12 -2.621383361e+00 -2.621383361e+00 3.14 -2.554537675e+00 -2.554537675e+00 3.16 -2.487810869e+00 -2.487810869e+00 3.18 -2.421326594e+00 -2.421326594e+00 3.20 -2.355200738e+00 -2.355200738e+00 3.22 -2.289541482e+00 -2.289541482e+00 3.24 -2.224449370e+00 -2.224449370e+00 3.26 -2.160017432e+00 -2.160017432e+00 3.28 -2.096331319e+00 -2.096331319e+00 3.30 -2.033428343e+00 -2.033428343e+00 3.32 -1.971318114e+00 -1.971318114e+00 3.34 -1.910067309e+00 -1.910067309e+00 3.36 -1.849736877e+00 -1.849736877e+00 3.38 -1.790381562e+00 -1.790381562e+00 3.40 -1.732050156e+00 -1.732050156e+00 3.42 -1.674785752e+00 -1.674785752e+00 3.44 -1.618626012e+00 -1.618626012e+00 3.46 -1.563601482e+00 -1.563601482e+00 3.48 -1.509710834e+00 -1.509710834e+00 3.50 -1.456967654e+00 -1.456967654e+00 3.52 -1.405390946e+00 -1.405390946e+00 3.54 -1.354995757e+00 -1.354995757e+00 3.56 -1.305793431e+00 -1.305793431e+00 3.58 -1.257791864e+00 -1.257791864e+00 3.60 -1.210995749e+00 -1.210995749e+00 3.62 -1.165406814e+00 -1.165406814e+00 3.64 -1.121024051e+00 -1.121024051e+00 3.66 -1.077843937e+00 -1.077843937e+00 3.68 -1.035860642e+00 -1.035860642e+00 3.70 -9.950662350e-01 -9.950662350e-01 3.72 -9.554508719e-01 -9.554508719e-01 3.74 -9.170029784e-01 -9.170029784e-01 3.76 -8.797094220e-01 -8.797094220e-01 3.78 -8.435556745e-01 -8.435556745e-01 3.80 -8.085259645e-01 -8.085259645e-01 3.82 -7.746034215e-01 -7.746034215e-01 3.84 -7.417702102e-01 -7.417702102e-01 3.86 -7.100076563e-01 -7.100076563e-01 3.88 -6.792963639e-01 -6.792963639e-01 3.90 -6.496163250e-01 -6.496163250e-01 3.92 -6.209470201e-01 -6.209470201e-01 3.94 -5.932675129e-01 -5.932675129e-01 3.96 -5.665565366e-01 -5.665565366e-01 3.98 -5.407925738e-01 -5.407925738e-01 4.00 -5.159539303e-01 -5.159539303e-01 4.02 -4.920188019e-01 -4.920188019e-01 4.04 -4.689653369e-01 -4.689653369e-01 4.06 -4.467716913e-01 -4.467716913e-01 4.08 -4.254160804e-01 -4.254160804e-01 4.10 -4.048768251e-01 -4.048768251e-01 4.12 -3.851323933e-01 -3.851323933e-01 4.14 -3.661614375e-01 -3.661614375e-01 4.16 -3.479428287e-01 -3.479428287e-01 4.18 -3.304556857e-01 -3.304556857e-01 4.20 -3.136794025e-01 -3.136794025e-01 4.22 -2.975841544e-01 -2.975841544e-01 4.24 -2.821404964e-01 -2.821404964e-01 4.26 -2.673295050e-01 -2.673295050e-01 4.28 -2.531325915e-01 -2.531325915e-01 4.30 -2.395315129e-01 -2.395315129e-01 4.32 -2.265083825e-01 -2.265083825e-01 4.34 -2.140456782e-01 -2.140456782e-01 4.36 -2.021262493e-01 -2.021262493e-01 4.38 -1.907333215e-01 -1.907333215e-01 4.40 -1.798505012e-01 -1.798505012e-01 4.42 -1.694617775e-01 -1.694617775e-01 4.44 -1.595515237e-01 -1.595515237e-01 4.46 -1.501044976e-01 -1.501044976e-01 4.48 -1.411058404e-01 -1.411058404e-01 4.50 -1.325410757e-01 -1.325410757e-01 4.52 -1.243961065e-01 -1.243961065e-01 4.54 -1.166572125e-01 -1.166572125e-01 4.56 -1.093110462e-01 -1.093110462e-01 4.58 -1.023446286e-01 -1.023446286e-01 4.60 -9.574534457e-02 -9.574534457e-02 4.62 -8.950093737e-02 -8.950093737e-02 4.64 -8.359950338e-02 -8.359950338e-02 4.66 -7.801535352e-02 -7.801535352e-02 4.68 -7.271791694e-02 -7.271791694e-02 4.70 -6.769752854e-02 -6.769752854e-02 4.72 -6.294495667e-02 -6.294495667e-02 4.74 -5.845124087e-02 -5.845124087e-02 4.76 -5.420768660e-02 -5.420768660e-02 4.78 -5.020585985e-02 -5.020585985e-02 4.80 -4.643758185e-02 -4.643758185e-02 4.82 -4.289492322e-02 -4.289492322e-02 4.84 -3.957019951e-02 -3.957019951e-02 4.86 -3.645388641e-02 -3.645388641e-02 4.88 -3.352656943e-02 -3.352656943e-02 4.90 -3.077401919e-02 -3.077401919e-02 4.92 -2.817768798e-02 -2.817768798e-02 4.94 -2.573183361e-02 -2.573183361e-02 4.96 -2.343126796e-02 -2.343126796e-02 4.98 -2.127062242e-02 -2.127062242e-02 5.00 -1.924523911e-02 -1.924523911e-02 5.02 -1.735066832e-02 -1.735066832e-02 5.04 -1.558261313e-02 -1.558261313e-02 5.06 -1.393685385e-02 -1.393685385e-02 5.08 -1.240925935e-02 -1.240925935e-02 5.10 -1.099579590e-02 -1.099579590e-02 5.12 -9.692533785e-03 -9.692533785e-03 5.14 -8.495652005e-03 -8.495652005e-03 5.16 -7.401441428e-03 -7.401441428e-03 5.18 -6.406306562e-03 -6.406306562e-03 5.20 -5.506766238e-03 -5.506766238e-03 5.22 -4.699453362e-03 -4.699453362e-03 5.24 -3.981113911e-03 -3.981113911e-03 5.26 -3.348605321e-03 -3.348605321e-03 5.28 -2.798894369e-03 -2.798894369e-03 5.30 -2.329054680e-03 -2.329054680e-03 5.32 -1.936263929e-03 -1.936263929e-03 5.34 -1.617800818e-03 -1.617800818e-03 5.36 -1.371041581e-03 -1.371041581e-03 5.38 -1.168582592e-03 -1.168582592e-03 5.40 -9.843258528e-04 -9.843258528e-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