# 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 = Au2PdPt # 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 5.439896557e+06 5.439896557e+06 0.88 4.981154406e+06 4.981154406e+06 0.90 4.563006720e+06 4.563006720e+06 0.92 4.181130511e+06 4.181130511e+06 0.94 3.831723729e+06 3.831723729e+06 0.96 3.511463228e+06 3.511463228e+06 0.98 3.217416475e+06 3.217416475e+06 1.00 2.947006286e+06 2.947006286e+06 1.02 2.697965060e+06 2.697965060e+06 1.04 2.468270184e+06 2.468270184e+06 1.06 2.256118906e+06 2.256118906e+06 1.08 2.059921251e+06 2.059921251e+06 1.10 1.878216968e+06 1.878216968e+06 1.12 1.709734363e+06 1.709734363e+06 1.14 1.553333728e+06 1.553333728e+06 1.16 1.407970796e+06 1.407970796e+06 1.18 1.272724163e+06 1.272724163e+06 1.20 1.146767867e+06 1.146767867e+06 1.22 1.029343651e+06 1.029343651e+06 1.24 9.197608121e+05 9.197608121e+05 1.26 8.174064160e+05 8.174064160e+05 1.28 7.217233269e+05 7.217233269e+05 1.30 6.321973087e+05 6.321973087e+05 1.32 5.483540802e+05 5.483540802e+05 1.34 4.697591807e+05 4.697591807e+05 1.36 3.960353968e+05 3.960353968e+05 1.38 3.276609563e+05 3.276609563e+05 1.40 2.663548355e+05 2.663548355e+05 1.42 2.130325582e+05 2.130325582e+05 1.44 1.703495499e+05 1.703495499e+05 1.46 1.363659276e+05 1.363659276e+05 1.48 1.092732580e+05 1.092732580e+05 1.50 8.764467672e+04 8.764467672e+04 1.52 7.035717916e+04 7.035717916e+04 1.54 5.652488902e+04 5.652488902e+04 1.56 4.544524876e+04 4.544524876e+04 1.58 3.656038777e+04 3.656038777e+04 1.60 2.942792905e+04 2.942792905e+04 1.62 2.369748346e+04 2.369748346e+04 1.64 1.909017705e+04 1.909017705e+04 1.66 1.538299294e+04 1.538299294e+04 1.68 1.239815307e+04 1.239815307e+04 1.70 9.993878163e+03 9.993878163e+03 1.72 8.056569182e+03 8.056569182e+03 1.74 6.495011171e+03 6.495011171e+03 1.76 5.235934111e+03 5.235934111e+03 1.78 4.220567939e+03 4.220567939e+03 1.80 3.401597040e+03 3.401597040e+03 1.82 2.740854237e+03 2.740854237e+03 1.84 2.207739268e+03 2.207739268e+03 1.86 1.777641852e+03 1.777641852e+03 1.88 1.430706660e+03 1.430706660e+03 1.90 1.150883349e+03 1.150883349e+03 1.92 9.252331782e+02 9.252331782e+02 1.94 7.433188384e+02 7.433188384e+02 1.96 5.967189736e+02 5.967189736e+02 1.98 4.786299103e+02 4.786299103e+02 2.00 3.835489536e+02 3.835489536e+02 2.02 3.070145092e+02 3.070145092e+02 2.04 2.454432107e+02 2.454432107e+02 2.06 1.959413660e+02 1.959413660e+02 2.08 1.561693180e+02 1.561693180e+02 2.10 1.242328201e+02 1.242328201e+02 2.12 9.860472984e+01 9.860472984e+01 2.14 7.805283343e+01 7.805283343e+01 2.16 6.157941567e+01 6.157941567e+01 2.18 4.838274795e+01 4.838274795e+01 2.20 3.781616178e+01 3.781616178e+01 2.22 2.935931885e+01 2.935931885e+01 2.24 2.259521108e+01 2.259521108e+01 2.26 1.718731304e+01 1.718731304e+01 2.28 1.286516005e+01 1.286516005e+01 2.30 9.411515855e+00 9.411515855e+00 2.32 6.651857010e+00 6.651857010e+00 2.34 4.446175319e+00 4.446175319e+00 2.36 2.682319670e+00 2.682319670e+00 2.38 1.270610106e+00 1.270610106e+00 2.40 1.394674799e-01 1.394674799e-01 2.42 -7.681598274e-01 -7.681598274e-01 2.44 -1.497662750e+00 -1.497662750e+00 2.46 -2.085123236e+00 -2.085123236e+00 2.48 -2.559106793e+00 -2.559106793e+00 2.50 -2.942194128e+00 -2.942194128e+00 2.52 -3.252230227e+00 -3.252230227e+00 2.54 -3.503296462e+00 -3.503296462e+00 2.56 -3.706491078e+00 -3.706491078e+00 2.58 -3.870554564e+00 -3.870554564e+00 2.60 -4.002369611e+00 -4.002369611e+00 2.62 -4.107359830e+00 -4.107359830e+00 2.64 -4.189806862e+00 -4.189806862e+00 2.66 -4.253101818e+00 -4.253101818e+00 2.68 -4.299943992e+00 -4.299943992e+00 2.70 -4.332488076e+00 -4.332488076e+00 2.72 -4.352471773e+00 -4.352471773e+00 2.74 -4.361319975e+00 -4.361319975e+00 2.76 -4.360221727e+00 -4.360221727e+00 2.78 -4.350181013e+00 -4.350181013e+00 2.80 -4.332060379e+00 -4.332060379e+00 2.82 -4.306588749e+00 -4.306588749e+00 2.84 -4.274389408e+00 -4.274389408e+00 2.86 -4.236036017e+00 -4.236036017e+00 2.88 -4.192072965e+00 -4.192072965e+00 2.90 -4.143006597e+00 -4.143006597e+00 2.92 -4.089311684e+00 -4.089311684e+00 2.94 -4.031436590e+00 -4.031436590e+00 2.96 -3.969747710e+00 -3.969747710e+00 2.98 -3.904585366e+00 -3.904585366e+00 3.00 -3.836330773e+00 -3.836330773e+00 3.02 -3.765347886e+00 -3.765347886e+00 3.04 -3.691984055e+00 -3.691984055e+00 3.06 -3.616570403e+00 -3.616570403e+00 3.08 -3.539422027e+00 -3.539422027e+00 3.10 -3.460838096e+00 -3.460838096e+00 3.12 -3.381101917e+00 -3.381101917e+00 3.14 -3.300480986e+00 -3.300480986e+00 3.16 -3.219227082e+00 -3.219227082e+00 3.18 -3.137576393e+00 -3.137576393e+00 3.20 -3.055749699e+00 -3.055749699e+00 3.22 -2.973952617e+00 -2.973952617e+00 3.24 -2.892375896e+00 -2.892375896e+00 3.26 -2.811195776e+00 -2.811195776e+00 3.28 -2.730574393e+00 -2.730574393e+00 3.30 -2.650641371e+00 -2.650641371e+00 3.32 -2.571501322e+00 -2.571501322e+00 3.34 -2.493252768e+00 -2.493252768e+00 3.36 -2.416000146e+00 -2.416000146e+00 3.38 -2.339843637e+00 -2.339843637e+00 3.40 -2.264872653e+00 -2.264872653e+00 3.42 -2.191166398e+00 -2.191166398e+00 3.44 -2.118794434e+00 -2.118794434e+00 3.46 -2.047801875e+00 -2.047801875e+00 3.48 -1.978181397e+00 -1.978181397e+00 3.50 -1.909971460e+00 -1.909971460e+00 3.52 -1.843209269e+00 -1.843209269e+00 3.54 -1.777925350e+00 -1.777925350e+00 3.56 -1.714144022e+00 -1.714144022e+00 3.58 -1.651883858e+00 -1.651883858e+00 3.60 -1.591158121e+00 -1.591158121e+00 3.62 -1.531975189e+00 -1.531975189e+00 3.64 -1.474338952e+00 -1.474338952e+00 3.66 -1.418249200e+00 -1.418249200e+00 3.68 -1.363701981e+00 -1.363701981e+00 3.70 -1.310689947e+00 -1.310689947e+00 3.72 -1.259202678e+00 -1.259202678e+00 3.74 -1.209226986e+00 -1.209226986e+00 3.76 -1.160747201e+00 -1.160747201e+00 3.78 -1.113745443e+00 -1.113745443e+00 3.80 -1.068201867e+00 -1.068201867e+00 3.82 -1.024094901e+00 -1.024094901e+00 3.84 -9.814014625e-01 -9.814014625e-01 3.86 -9.400971608e-01 -9.400971608e-01 3.88 -9.001564830e-01 -9.001564830e-01 3.90 -8.615529676e-01 -8.615529676e-01 3.92 -8.242593641e-01 -8.242593641e-01 3.94 -7.882477793e-01 -7.882477793e-01 3.96 -7.534898119e-01 -7.534898119e-01 3.98 -7.199566757e-01 -7.199566757e-01 4.00 -6.876193124e-01 -6.876193124e-01 4.02 -6.564484938e-01 -6.564484938e-01 4.04 -6.264149147e-01 -6.264149147e-01 4.06 -5.974892774e-01 -5.974892774e-01 4.08 -5.696423676e-01 -5.696423676e-01 4.10 -5.428451228e-01 -5.428451228e-01 4.12 -5.170686934e-01 -5.170686934e-01 4.14 -4.922844974e-01 -4.922844974e-01 4.16 -4.684642688e-01 -4.684642688e-01 4.18 -4.455801006e-01 -4.455801006e-01 4.20 -4.236044819e-01 -4.236044819e-01 4.22 -4.025103309e-01 -4.025103309e-01 4.24 -3.822710233e-01 -3.822710233e-01 4.26 -3.628604161e-01 -3.628604161e-01 4.28 -3.442528682e-01 -3.442528682e-01 4.30 -3.264232574e-01 -3.264232574e-01 4.32 -3.093469940e-01 -3.093469940e-01 4.34 -2.930000322e-01 -2.930000322e-01 4.36 -2.773588780e-01 -2.773588780e-01 4.38 -2.624005954e-01 -2.624005954e-01 4.40 -2.481028102e-01 -2.481028102e-01 4.42 -2.344437122e-01 -2.344437122e-01 4.44 -2.214020549e-01 -2.214020549e-01 4.46 -2.089571545e-01 -2.089571545e-01 4.48 -1.970888870e-01 -1.970888870e-01 4.50 -1.857776841e-01 -1.857776841e-01 4.52 -1.750045281e-01 -1.750045281e-01 4.54 -1.647509459e-01 -1.647509459e-01 4.56 -1.549990020e-01 -1.549990020e-01 4.58 -1.457312907e-01 -1.457312907e-01 4.60 -1.369309277e-01 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-3.901434760e-06 5.64 0.000000000e+00 0.000000000e+00 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