# 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 = AuNiPt2 # 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 7.435584367e+06 7.435584367e+06 0.88 6.803105905e+06 6.803105905e+06 0.90 6.226800219e+06 6.226800219e+06 0.92 5.700704703e+06 5.700704703e+06 0.94 5.219545034e+06 5.219545034e+06 0.96 4.778714466e+06 4.778714466e+06 0.98 4.374162096e+06 4.374162096e+06 1.00 4.002321169e+06 4.002321169e+06 1.02 3.660039407e+06 3.660039407e+06 1.04 3.344527744e+06 3.344527744e+06 1.06 3.053278240e+06 3.053278240e+06 1.08 2.784091111e+06 2.784091111e+06 1.10 2.534976191e+06 2.534976191e+06 1.12 2.304150673e+06 2.304150673e+06 1.14 2.090027185e+06 2.090027185e+06 1.16 1.891167906e+06 1.891167906e+06 1.18 1.706293729e+06 1.706293729e+06 1.20 1.534248100e+06 1.534248100e+06 1.22 1.373988224e+06 1.373988224e+06 1.24 1.224569525e+06 1.224569525e+06 1.26 1.085136490e+06 1.085136490e+06 1.28 9.549108396e+05 9.549108396e+05 1.30 8.331780247e+05 8.331780247e+05 1.32 7.192933711e+05 7.192933711e+05 1.34 6.126614495e+05 6.126614495e+05 1.36 5.127499606e+05 5.127499606e+05 1.38 4.214242287e+05 4.214242287e+05 1.40 3.419426891e+05 3.419426891e+05 1.42 2.726848933e+05 2.726848933e+05 1.44 2.163364399e+05 2.163364399e+05 1.46 1.717873045e+05 1.717873045e+05 1.48 1.365256858e+05 1.365256858e+05 1.50 1.085826222e+05 1.085826222e+05 1.52 8.641514660e+04 8.641514660e+04 1.54 6.881361378e+04 6.881361378e+04 1.56 5.482555591e+04 5.482555591e+04 1.58 4.369993420e+04 4.369993420e+04 1.60 3.484396406e+04 3.484396406e+04 1.62 2.778942631e+04 2.778942631e+04 1.64 2.216664314e+04 2.216664314e+04 1.66 1.768260975e+04 1.768260975e+04 1.68 1.410520332e+04 1.410520332e+04 1.70 1.125037804e+04 1.125037804e+04 1.72 8.971789816e+03 8.971789816e+03 1.74 7.152750401e+03 7.152750401e+03 1.76 5.700462104e+03 5.700462104e+03 1.78 4.541057698e+03 4.541057698e+03 1.80 3.615597341e+03 3.615597341e+03 1.82 2.876973651e+03 2.876973651e+03 1.84 2.287558479e+03 2.287558479e+03 1.86 1.817394803e+03 1.817394803e+03 1.88 1.442530948e+03 1.442530948e+03 1.90 1.143775910e+03 1.143775910e+03 1.92 9.058102155e+02 9.058102155e+02 1.94 7.163908480e+02 7.163908480e+02 1.96 5.657302500e+02 5.657302500e+02 1.98 4.460091175e+02 4.460091175e+02 2.00 3.509687809e+02 3.509687809e+02 2.02 2.755961675e+02 2.755961675e+02 2.04 2.158911046e+02 2.158911046e+02 2.06 1.686565826e+02 1.686565826e+02 2.08 1.313376476e+02 1.313376476e+02 2.10 1.018937750e+02 1.018937750e+02 2.12 7.869455704e+01 7.869455704e+01 2.14 6.044219428e+01 6.044219428e+01 2.16 4.610369694e+01 4.610369694e+01 2.18 3.485526100e+01 3.485526100e+01 2.20 2.604397388e+01 2.604397388e+01 2.22 1.915213624e+01 1.915213624e+01 2.24 1.377016382e+01 1.377016382e+01 2.26 9.573349715e+00 9.573349715e+00 2.28 6.305065800e+00 6.305065800e+00 2.30 3.762836142e+00 3.762836142e+00 2.32 1.787163128e+00 1.787163128e+00 2.34 2.527083338e-01 2.527083338e-01 2.36 -9.387717957e-01 -9.387717957e-01 2.38 -1.864056929e+00 -1.864056929e+00 2.40 -2.582969354e+00 -2.582969354e+00 2.42 -3.141983127e+00 -3.141983127e+00 2.44 -3.577089932e+00 -3.577089932e+00 2.46 -3.916068350e+00 -3.916068350e+00 2.48 -4.180241080e+00 -4.180241080e+00 2.50 -4.385939144e+00 -4.385939144e+00 2.52 -4.545632900e+00 -4.545632900e+00 2.54 -4.668810819e+00 -4.668810819e+00 2.56 -4.762644862e+00 -4.762644862e+00 2.58 -4.832578634e+00 -4.832578634e+00 2.60 -4.882739833e+00 -4.882739833e+00 2.62 -4.916258537e+00 -4.916258537e+00 2.64 -4.935519036e+00 -4.935519036e+00 2.66 -4.942353111e+00 -4.942353111e+00 2.68 -4.938187389e+00 -4.938187389e+00 2.70 -4.924154762e+00 -4.924154762e+00 2.72 -4.901170580e+00 -4.901170580e+00 2.74 -4.869990059e+00 -4.869990059e+00 2.76 -4.831280922e+00 -4.831280922e+00 2.78 -4.785640779e+00 -4.785640779e+00 2.80 -4.733619190e+00 -4.733619190e+00 2.82 -4.675732688e+00 -4.675732688e+00 2.84 -4.612444391e+00 -4.612444391e+00 2.86 -4.544177013e+00 -4.544177013e+00 2.88 -4.471390341e+00 -4.471390341e+00 2.90 -4.394535145e+00 -4.394535145e+00 2.92 -4.314051227e+00 -4.314051227e+00 2.94 -4.230367031e+00 -4.230367031e+00 2.96 -4.143856273e+00 -4.143856273e+00 2.98 -4.054870134e+00 -4.054870134e+00 3.00 -3.963764476e+00 -3.963764476e+00 3.02 -3.870901712e+00 -3.870901712e+00 3.04 -3.776632378e+00 -3.776632378e+00 3.06 -3.681289780e+00 -3.681289780e+00 3.08 -3.585189314e+00 -3.585189314e+00 3.10 -3.488627973e+00 -3.488627973e+00 3.12 -3.391884037e+00 -3.391884037e+00 3.14 -3.295216950e+00 -3.295216950e+00 3.16 -3.198867352e+00 -3.198867352e+00 3.18 -3.103057274e+00 -3.103057274e+00 3.20 -3.007990462e+00 -3.007990462e+00 3.22 -2.913852821e+00 -2.913852821e+00 3.24 -2.820812950e+00 -2.820812950e+00 3.26 -2.729022765e+00 -2.729022765e+00 3.28 -2.638618186e+00 -2.638618186e+00 3.30 -2.549719865e+00 -2.549719865e+00 3.32 -2.462428905e+00 -2.462428905e+00 3.34 -2.376779152e+00 -2.376779152e+00 3.36 -2.292834592e+00 -2.292834592e+00 3.38 -2.210664368e+00 -2.210664368e+00 3.40 -2.130326519e+00 -2.130326519e+00 3.42 -2.051868737e+00 -2.051868737e+00 3.44 -1.975329114e+00 -1.975329114e+00 3.46 -1.900728261e+00 -1.900728261e+00 3.48 -1.828054249e+00 -1.828054249e+00 3.50 -1.757318062e+00 -1.757318062e+00 3.52 -1.688527269e+00 -1.688527269e+00 3.54 -1.621683297e+00 -1.621683297e+00 3.56 -1.556782001e+00 -1.556782001e+00 3.58 -1.493814196e+00 -1.493814196e+00 3.60 -1.432766173e+00 -1.432766173e+00 3.62 -1.373620166e+00 -1.373620166e+00 3.64 -1.316354806e+00 -1.316354806e+00 3.66 -1.260945533e+00 -1.260945533e+00 3.68 -1.207364986e+00 -1.207364986e+00 3.70 -1.155583362e+00 -1.155583362e+00 3.72 -1.105568754e+00 -1.105568754e+00 3.74 -1.057287451e+00 -1.057287451e+00 3.76 -1.010704229e+00 -1.010704229e+00 3.78 -9.657826091e-01 -9.657826091e-01 3.80 -9.224850939e-01 -9.224850939e-01 3.82 -8.807733883e-01 -8.807733883e-01 3.84 -8.406085958e-01 -8.406085958e-01 3.86 -8.019513996e-01 -8.019513996e-01 3.88 -7.647622247e-01 -7.647622247e-01 3.90 -7.290013852e-01 -7.290013852e-01 3.92 -6.946292159e-01 -6.946292159e-01 3.94 -6.616061909e-01 -6.616061909e-01 3.96 -6.298930282e-01 -6.298930282e-01 3.98 -5.994507837e-01 -5.994507837e-01 4.00 -5.702409332e-01 -5.702409332e-01 4.02 -5.422254452e-01 -5.422254452e-01 4.04 -5.153668433e-01 -5.153668433e-01 4.06 -4.896282611e-01 -4.896282611e-01 4.08 -4.649734889e-01 -4.649734889e-01 4.10 -4.413670134e-01 -4.413670134e-01 4.12 -4.187740503e-01 -4.187740503e-01 4.14 -3.971605719e-01 -3.971605719e-01 4.16 -3.764933289e-01 -3.764933289e-01 4.18 -3.567398671e-01 -3.567398671e-01 4.20 -3.378685404e-01 -3.378685404e-01 4.22 -3.198375540e-01 -3.198375540e-01 4.24 -3.026060554e-01 -3.026060554e-01 4.26 -2.861457704e-01 -2.861457704e-01 4.28 -2.704292202e-01 -2.704292202e-01 4.30 -2.554297165e-01 -2.554297165e-01 4.32 -2.411213555e-01 -2.411213555e-01 4.34 -2.274790113e-01 -2.274790113e-01 4.36 -2.144783260e-01 -2.144783260e-01 4.38 -2.020956999e-01 -2.020956999e-01 4.40 -1.903082797e-01 -1.903082797e-01 4.42 -1.790939456e-01 -1.790939456e-01 4.44 -1.684312978e-01 -1.684312978e-01 4.46 -1.582996423e-01 -1.582996423e-01 4.48 -1.486789756e-01 -1.486789756e-01 4.50 -1.395499697e-01 -1.395499697e-01 4.52 -1.308939556e-01 -1.308939556e-01 4.54 -1.226929077e-01 -1.226929077e-01 4.56 -1.149294272e-01 -1.149294272e-01 4.58 -1.075867254e-01 -1.075867254e-01 4.60 -1.006486076e-01 -1.006486076e-01 4.62 -9.409945587e-02 -9.409945587e-02 4.64 -8.792421308e-02 -8.792421308e-02 4.66 -8.210836615e-02 -8.210836615e-02 4.68 -7.663792987e-02 -7.663792987e-02 4.70 -7.149124123e-02 -7.149124123e-02 4.72 -6.663534908e-02 -6.663534908e-02 4.74 -6.205813020e-02 -6.205813020e-02 4.76 -5.774888878e-02 -5.774888878e-02 4.78 -5.369731950e-02 -5.369731950e-02 4.80 -4.989349326e-02 -4.989349326e-02 4.82 -4.632784580e-02 -4.632784580e-02 4.84 -4.299116611e-02 -4.299116611e-02 4.86 -3.987072837e-02 -3.987072837e-02 4.88 -3.693472307e-02 -3.693472307e-02 4.90 -3.416067380e-02 -3.416067380e-02 4.92 -3.153726534e-02 -3.153726534e-02 4.94 -2.905881083e-02 -2.905881083e-02 4.96 -2.671980067e-02 -2.671980067e-02 4.98 -2.451468445e-02 -2.451468445e-02 5.00 -2.243829248e-02 -2.243829248e-02 5.02 -2.048577120e-02 -2.048577120e-02 5.04 -1.865241866e-02 -1.865241866e-02 5.06 -1.693368527e-02 -1.693368527e-02 5.08 -1.532517346e-02 -1.532517346e-02 5.10 -1.382263658e-02 -1.382263658e-02 5.12 -1.242197701e-02 -1.242197701e-02 5.14 -1.111924371e-02 -1.111924371e-02 5.16 -9.910629421e-03 -9.910629421e-03 5.18 -8.792467363e-03 -8.792467363e-03 5.20 -7.761227753e-03 -7.761227753e-03 5.22 -6.813514078e-03 -6.813514078e-03 5.24 -5.946059235e-03 -5.946059235e-03 5.26 -5.155721557e-03 -5.155721557e-03 5.28 -4.439480804e-03 -4.439480804e-03 5.30 -3.794434109e-03 -3.794434109e-03 5.32 -3.217791952e-03 -3.217791952e-03 5.34 -2.706874150e-03 -2.706874150e-03 5.36 -2.259105911e-03 -2.259105911e-03 5.38 -1.872013939e-03 -1.872013939e-03 5.40 -1.543222633e-03 -1.543222633e-03 5.42 -1.267370109e-03 -1.267370109e-03 5.44 -1.024185468e-03 -1.024185468e-03 5.46 -8.094867153e-04 -8.094867153e-04 5.48 -6.222555034e-04 -6.222555034e-04 5.50 -4.615099408e-04 -4.615099408e-04 5.52 -3.263033488e-04 -3.263033488e-04 5.54 -2.157230458e-04 -2.157230458e-04 5.56 -1.288891604e-04 -1.288891604e-04 5.58 -6.495347561e-05 -6.495347561e-05 5.60 -2.309830397e-05 -2.309830397e-05 5.62 -2.535395639e-06 -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