# 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 = AuPdPt2 # 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 6.184507236e+06 6.184507236e+06 0.88 5.664598968e+06 5.664598968e+06 0.90 5.190894702e+06 5.190894702e+06 0.92 4.758477609e+06 4.758477609e+06 0.94 4.363025084e+06 4.363025084e+06 0.96 4.000740529e+06 4.000740529e+06 0.98 3.668295344e+06 3.668295344e+06 1.00 3.362764402e+06 3.362764402e+06 1.02 3.081560958e+06 3.081560958e+06 1.04 2.822365787e+06 2.822365787e+06 1.06 2.583112358e+06 2.583112358e+06 1.08 2.361992607e+06 2.361992607e+06 1.10 2.157355743e+06 2.157355743e+06 1.12 1.967748018e+06 1.967748018e+06 1.14 1.791870138e+06 1.791870138e+06 1.16 1.628529524e+06 1.628529524e+06 1.18 1.476675025e+06 1.476675025e+06 1.20 1.335370330e+06 1.335370330e+06 1.22 1.203761317e+06 1.203761317e+06 1.24 1.081057855e+06 1.081057855e+06 1.26 9.665567973e+05 9.665567973e+05 1.28 8.596162081e+05 8.596162081e+05 1.30 7.596509384e+05 7.596509384e+05 1.32 6.661214887e+05 6.661214887e+05 1.34 5.785354300e+05 5.785354300e+05 1.36 4.964613956e+05 4.964613956e+05 1.38 4.195010192e+05 4.195010192e+05 1.40 3.472870924e+05 3.472870924e+05 1.42 2.823051785e+05 2.823051785e+05 1.44 2.270003005e+05 2.270003005e+05 1.46 1.807429824e+05 1.807429824e+05 1.48 1.439771893e+05 1.439771893e+05 1.50 1.147898673e+05 1.147898673e+05 1.52 9.159182375e+04 9.159182375e+04 1.54 7.313546485e+04 7.313546485e+04 1.56 5.843677741e+04 5.843677741e+04 1.58 4.671780269e+04 4.671780269e+04 1.60 3.736500669e+04 3.736500669e+04 1.62 2.989486746e+04 2.989486746e+04 1.64 2.392495925e+04 2.392495925e+04 1.66 1.915133289e+04 1.915133289e+04 1.68 1.533205484e+04 1.533205484e+04 1.70 1.227516242e+04 1.227516242e+04 1.72 9.827761047e+03 9.827761047e+03 1.74 7.867837148e+03 7.867837148e+03 1.76 6.297966794e+03 6.297966794e+03 1.78 5.040390033e+03 5.040390033e+03 1.80 4.032900060e+03 4.032900060e+03 1.82 3.225644961e+03 3.225644961e+03 1.84 2.578834795e+03 2.578834795e+03 1.86 2.060678661e+03 2.060678661e+03 1.88 1.645689826e+03 1.645689826e+03 1.90 1.313403411e+03 1.313403411e+03 1.92 1.047418418e+03 1.047418418e+03 1.94 8.345796002e+02 8.345796002e+02 1.96 6.643547684e+02 6.643547684e+02 1.98 5.282932160e+02 5.282932160e+02 2.00 4.196069114e+02 4.196069114e+02 2.02 3.328370785e+02 3.328370785e+02 2.04 2.636158006e+02 2.636158006e+02 2.06 2.084388650e+02 2.084388650e+02 2.08 1.644936261e+02 1.644936261e+02 2.10 1.295169599e+02 1.295169599e+02 2.12 1.016982604e+02 1.016982604e+02 2.14 7.959246875e+01 7.959246875e+01 2.16 6.204064316e+01 6.204064316e+01 2.18 4.811605652e+01 4.811605652e+01 2.20 3.707931043e+01 3.707931043e+01 2.22 2.833911926e+01 2.833911926e+01 2.24 2.142298579e+01 2.142298579e+01 2.26 1.595323129e+01 1.595323129e+01 2.28 1.162914603e+01 1.162914603e+01 2.30 8.211544621e+00 8.211544621e+00 2.32 5.510230310e+00 5.510230310e+00 2.34 3.374220309e+00 3.374220309e+00 2.36 1.683873666e+00 1.683873666e+00 2.38 3.446029695e-01 3.446029695e-01 2.40 -7.181941462e-01 -7.181941462e-01 2.42 -1.563271916e+00 -1.563271916e+00 2.44 -2.236799727e+00 -2.236799727e+00 2.46 -2.774993485e+00 -2.774993485e+00 2.48 -3.206161781e+00 -3.206161781e+00 2.50 -3.552386821e+00 -3.552386821e+00 2.52 -3.830871867e+00 -3.830871867e+00 2.54 -4.054995246e+00 -4.054995246e+00 2.56 -4.235146801e+00 -4.235146801e+00 2.58 -4.379389998e+00 -4.379389998e+00 2.60 -4.493984529e+00 -4.493984529e+00 2.62 -4.583797516e+00 -4.583797516e+00 2.64 -4.652625904e+00 -4.652625904e+00 2.66 -4.703448242e+00 -4.703448242e+00 2.68 -4.738620428e+00 -4.738620428e+00 2.70 -4.760022728e+00 -4.760022728e+00 2.72 -4.769172529e+00 -4.769172529e+00 2.74 -4.767316602e+00 -4.767316602e+00 2.76 -4.755515795e+00 -4.755515795e+00 2.78 -4.734684334e+00 -4.734684334e+00 2.80 -4.705626812e+00 -4.705626812e+00 2.82 -4.669025573e+00 -4.669025573e+00 2.84 -4.625474512e+00 -4.625474512e+00 2.86 -4.575530252e+00 -4.575530252e+00 2.88 -4.519755204e+00 -4.519755204e+00 2.90 -4.458684058e+00 -4.458684058e+00 2.92 -4.392826406e+00 -4.392826406e+00 2.94 -4.322669728e+00 -4.322669728e+00 2.96 -4.248648630e+00 -4.248648630e+00 2.98 -4.171173905e+00 -4.171173905e+00 3.00 -4.090669531e+00 -4.090669531e+00 3.02 -4.007540873e+00 -4.007540873e+00 3.04 -3.922174610e+00 -3.922174610e+00 3.06 -3.834938561e+00 -3.834938561e+00 3.08 -3.746181506e+00 -3.746181506e+00 3.10 -3.656233034e+00 -3.656233034e+00 3.12 -3.565403471e+00 -3.565403471e+00 3.14 -3.473983894e+00 -3.473983894e+00 3.16 -3.382246250e+00 -3.382246250e+00 3.18 -3.290443569e+00 -3.290443569e+00 3.20 -3.198810287e+00 -3.198810287e+00 3.22 -3.107562653e+00 -3.107562653e+00 3.24 -3.016899214e+00 -3.016899214e+00 3.26 -2.927001379e+00 -2.927001379e+00 3.28 -2.838034038e+00 -2.838034038e+00 3.30 -2.750126752e+00 -2.750126752e+00 3.32 -2.663379473e+00 -2.663379473e+00 3.34 -2.577861164e+00 -2.577861164e+00 3.36 -2.493664137e+00 -2.493664137e+00 3.38 -2.410882828e+00 -2.410882828e+00 3.40 -2.329599863e+00 -2.329599863e+00 3.42 -2.249886780e+00 -2.249886780e+00 3.44 -2.171804733e+00 -2.171804733e+00 3.46 -2.095397096e+00 -2.095397096e+00 3.48 -2.020675159e+00 -2.020675159e+00 3.50 -1.947670270e+00 -1.947670270e+00 3.52 -1.876409319e+00 -1.876409319e+00 3.54 -1.806912212e+00 -1.806912212e+00 3.56 -1.739192433e+00 -1.739192433e+00 3.58 -1.673257592e+00 -1.673257592e+00 3.60 -1.609109932e+00 -1.609109932e+00 3.62 -1.546746816e+00 -1.546746816e+00 3.64 -1.486161190e+00 -1.486161190e+00 3.66 -1.427342012e+00 -1.427342012e+00 3.68 -1.370274657e+00 -1.370274657e+00 3.70 -1.314941302e+00 -1.314941302e+00 3.72 -1.261321277e+00 -1.261321277e+00 3.74 -1.209391401e+00 -1.209391401e+00 3.76 -1.159126285e+00 -1.159126285e+00 3.78 -1.110498620e+00 -1.110498620e+00 3.80 -1.063479440e+00 -1.063479440e+00 3.82 -1.018038369e+00 -1.018038369e+00 3.84 -9.741438421e-01 -9.741438421e-01 3.86 -9.317633137e-01 -9.317633137e-01 3.88 -8.908634459e-01 -8.908634459e-01 3.90 -8.514102811e-01 -8.514102811e-01 3.92 -8.133694002e-01 -8.133694002e-01 3.94 -7.767060652e-01 -7.767060652e-01 3.96 -7.413853495e-01 -7.413853495e-01 3.98 -7.073722547e-01 -7.073722547e-01 4.00 -6.746318167e-01 -6.746318167e-01 4.02 -6.431292002e-01 -6.431292002e-01 4.04 -6.128297836e-01 -6.128297836e-01 4.06 -5.836992348e-01 -5.836992348e-01 4.08 -5.557035774e-01 -5.557035774e-01 4.10 -5.288092502e-01 -5.288092502e-01 4.12 -5.029831585e-01 -5.029831585e-01 4.14 -4.781927192e-01 -4.781927192e-01 4.16 -4.544058993e-01 -4.544058993e-01 4.18 -4.315912489e-01 -4.315912489e-01 4.20 -4.097179295e-01 -4.097179295e-01 4.22 -3.887557365e-01 -3.887557365e-01 4.24 -3.686751186e-01 -3.686751186e-01 4.26 -3.494471925e-01 -3.494471925e-01 4.28 -3.310437544e-01 -3.310437544e-01 4.30 -3.134372879e-01 -3.134372879e-01 4.32 -2.966009699e-01 -2.966009699e-01 4.34 -2.805086726e-01 -2.805086726e-01 4.36 -2.651349645e-01 -2.651349645e-01 4.38 -2.504551083e-01 -2.504551083e-01 4.40 -2.364450576e-01 -2.364450576e-01 4.42 -2.230814515e-01 -2.230814515e-01 4.44 -2.103416080e-01 -2.103416080e-01 4.46 -1.982035161e-01 -1.982035161e-01 4.48 -1.866458268e-01 -1.866458268e-01 4.50 -1.756478428e-01 -1.756478428e-01 4.52 -1.651895082e-01 -1.651895082e-01 4.54 -1.552513962e-01 -1.552513962e-01 4.56 -1.458146976e-01 -1.458146976e-01 4.58 -1.368612078e-01 -1.368612078e-01 4.60 -1.283733138e-01 -1.283733138e-01 4.62 -1.203339810e-01 -1.203339810e-01 4.64 -1.127267390e-01 -1.127267390e-01 4.66 -1.055257110e-01 -1.055257110e-01 4.68 -9.870186768e-02 -9.870186768e-02 4.70 -9.223305725e-02 -9.223305725e-02 4.72 -8.608598631e-02 -8.608598631e-02 4.74 -8.024802497e-02 -8.024802497e-02 4.76 -7.470795397e-02 -7.470795397e-02 4.78 -6.945493508e-02 -6.945493508e-02 4.80 -6.447850019e-02 -6.447850019e-02 4.82 -5.976854057e-02 -5.976854057e-02 4.84 -5.531529633e-02 -5.531529633e-02 4.86 -5.110934592e-02 -5.110934592e-02 4.88 -4.714121245e-02 -4.714121245e-02 4.90 -4.339491319e-02 -4.339491319e-02 4.92 -3.985913740e-02 -3.985913740e-02 4.94 -3.652621421e-02 -3.652621421e-02 4.96 -3.338872187e-02 -3.338872187e-02 4.98 -3.043948427e-02 -3.043948427e-02 5.00 -2.767156653e-02 -2.767156653e-02 5.02 -2.507827015e-02 -2.507827015e-02 5.04 -2.265312771e-02 -2.265312771e-02 5.06 -2.038964133e-02 -2.038964133e-02 5.08 -1.828158798e-02 -1.828158798e-02 5.10 -1.632339943e-02 -1.632339943e-02 5.12 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-2.535395639e-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