# 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 = AuNi2Pd # 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 4.505019340e+06 4.505019340e+06 0.88 4.106151670e+06 4.106151670e+06 0.90 3.742548350e+06 3.742548350e+06 0.92 3.410465464e+06 3.410465464e+06 0.94 3.106607838e+06 3.106607838e+06 0.96 2.828070438e+06 2.828070438e+06 0.98 2.572327105e+06 2.572327105e+06 1.00 2.337127821e+06 2.337127821e+06 1.02 2.120500601e+06 2.120500601e+06 1.04 1.920669583e+06 1.920669583e+06 1.06 1.736065957e+06 1.736065957e+06 1.08 1.565328659e+06 1.565328659e+06 1.10 1.407204850e+06 1.407204850e+06 1.12 1.260584819e+06 1.260584819e+06 1.14 1.124473115e+06 1.124473115e+06 1.16 9.979506832e+05 9.979506832e+05 1.18 8.802249348e+05 8.802249348e+05 1.20 7.705705671e+05 7.705705671e+05 1.22 6.683365157e+05 6.683365157e+05 1.24 5.729225945e+05 5.729225945e+05 1.26 4.838029719e+05 4.838029719e+05 1.28 4.004962466e+05 4.004962466e+05 1.30 3.226818930e+05 3.226818930e+05 1.32 2.553085539e+05 2.553085539e+05 1.34 2.022237472e+05 2.022237472e+05 1.36 1.603968561e+05 1.603968561e+05 1.38 1.273862600e+05 1.273862600e+05 1.40 1.012917804e+05 1.012917804e+05 1.42 8.063168043e+04 8.063168043e+04 1.44 6.424701761e+04 6.424701761e+04 1.46 5.123612662e+04 5.123612662e+04 1.48 4.089308595e+04 4.089308595e+04 1.50 3.266184680e+04 3.266184680e+04 1.52 2.610405437e+04 2.610405437e+04 1.54 2.087496718e+04 2.087496718e+04 1.56 1.670180023e+04 1.670180023e+04 1.58 1.336825897e+04 1.336825897e+04 1.60 1.070306628e+04 1.070306628e+04 1.62 8.571038493e+03 8.571038493e+03 1.64 6.864567884e+03 6.864567884e+03 1.66 5.498048065e+03 5.498048065e+03 1.68 4.403228392e+03 4.403228392e+03 1.70 3.525902741e+03 3.525902741e+03 1.72 2.822769195e+03 2.822769195e+03 1.74 2.259071777e+03 2.259071777e+03 1.76 1.807125763e+03 1.807125763e+03 1.78 1.444824956e+03 1.444824956e+03 1.80 1.154425458e+03 1.154425458e+03 1.82 9.216694385e+02 9.216694385e+02 1.84 7.351830327e+02 7.351830327e+02 1.86 5.858360103e+02 5.858360103e+02 1.88 4.662935613e+02 4.662935613e+02 1.90 3.706263766e+02 3.706263766e+02 1.92 2.941008760e+02 2.941008760e+02 1.94 2.329375994e+02 2.329375994e+02 1.96 1.840932849e+02 1.840932849e+02 1.98 1.451271939e+02 1.451271939e+02 2.00 1.140758838e+02 1.140758838e+02 2.02 8.935871834e+01 8.935871834e+01 2.04 6.970827683e+01 6.970827683e+01 2.06 5.410674462e+01 5.410674462e+01 2.08 4.173688226e+01 4.173688226e+01 2.10 3.194187502e+01 3.194187502e+01 2.12 2.419619573e+01 2.419619573e+01 2.14 1.807971297e+01 1.807971297e+01 2.16 1.325599207e+01 1.325599207e+01 2.18 9.457712436e+00 9.457712436e+00 2.20 6.471546166e+00 6.471546166e+00 2.22 4.127355907e+00 4.127355907e+00 2.24 2.289682772e+00 2.289682772e+00 2.26 8.507163047e-01 8.507163047e-01 2.28 -2.748145889e-01 -2.748145889e-01 2.30 -1.154280636e+00 -1.154280636e+00 2.32 -1.840893825e+00 -1.840893825e+00 2.34 -2.376563351e+00 -2.376563351e+00 2.36 -2.794202123e+00 -2.794202123e+00 2.38 -3.119586879e+00 -3.119586879e+00 2.40 -3.372836504e+00 -3.372836504e+00 2.42 -3.569601054e+00 -3.569601054e+00 2.44 -3.722002731e+00 -3.722002731e+00 2.46 -3.839382183e+00 -3.839382183e+00 2.48 -3.928943818e+00 -3.928943818e+00 2.50 -3.996223214e+00 -3.996223214e+00 2.52 -4.045462020e+00 -4.045462020e+00 2.54 -4.079898716e+00 -4.079898716e+00 2.56 -4.101945837e+00 -4.101945837e+00 2.58 -4.113472921e+00 -4.113472921e+00 2.60 -4.115928802e+00 -4.115928802e+00 2.62 -4.110434619e+00 -4.110434619e+00 2.64 -4.097868643e+00 -4.097868643e+00 2.66 -4.078931256e+00 -4.078931256e+00 2.68 -4.054194303e+00 -4.054194303e+00 2.70 -4.024126843e+00 -4.024126843e+00 2.72 -3.989131952e+00 -3.989131952e+00 2.74 -3.949579204e+00 -3.949579204e+00 2.76 -3.905808758e+00 -3.905808758e+00 2.78 -3.858141362e+00 -3.858141362e+00 2.80 -3.806885009e+00 -3.806885009e+00 2.82 -3.752292785e+00 -3.752292785e+00 2.84 -3.694602712e+00 -3.694602712e+00 2.86 -3.634095073e+00 -3.634095073e+00 2.88 -3.571051396e+00 -3.571051396e+00 2.90 -3.505747966e+00 -3.505747966e+00 2.92 -3.438455352e+00 -3.438455352e+00 2.94 -3.369437699e+00 -3.369437699e+00 2.96 -3.298919643e+00 -3.298919643e+00 2.98 -3.227105514e+00 -3.227105514e+00 3.00 -3.154174096e+00 -3.154174096e+00 3.02 -3.080341160e+00 -3.080341160e+00 3.04 -3.005821810e+00 -3.005821810e+00 3.06 -2.930820565e+00 -2.930820565e+00 3.08 -2.855531087e+00 -2.855531087e+00 3.10 -2.780135980e+00 -2.780135980e+00 3.12 -2.704806695e+00 -2.704806695e+00 3.14 -2.629703503e+00 -2.629703503e+00 3.16 -2.554975561e+00 -2.554975561e+00 3.18 -2.480761040e+00 -2.480761040e+00 3.20 -2.407187319e+00 -2.407187319e+00 3.22 -2.334371236e+00 -2.334371236e+00 3.24 -2.262419390e+00 -2.262419390e+00 3.26 -2.191428473e+00 -2.191428473e+00 3.28 -2.121485646e+00 -2.121485646e+00 3.30 -2.052646928e+00 -2.052646928e+00 3.32 -1.984948726e+00 -1.984948726e+00 3.34 -1.918453411e+00 -1.918453411e+00 3.36 -1.853215913e+00 -1.853215913e+00 3.38 -1.789283770e+00 -1.789283770e+00 3.40 -1.726697556e+00 -1.726697556e+00 3.42 -1.665491306e+00 -1.665491306e+00 3.44 -1.605692940e+00 -1.605692940e+00 3.46 -1.547315354e+00 -1.547315354e+00 3.48 -1.490339966e+00 -1.490339966e+00 3.50 -1.434776439e+00 -1.434776439e+00 3.52 -1.380633581e+00 -1.380633581e+00 3.54 -1.327916080e+00 -1.327916080e+00 3.56 -1.276624840e+00 -1.276624840e+00 3.58 -1.226757299e+00 -1.226757299e+00 3.60 -1.178307730e+00 -1.178307730e+00 3.62 -1.131267534e+00 -1.131267534e+00 3.64 -1.085625512e+00 -1.085625512e+00 3.66 -1.041368123e+00 -1.041368123e+00 3.68 -9.984797255e-01 -9.984797255e-01 3.70 -9.569428088e-01 -9.569428088e-01 3.72 -9.167382051e-01 -9.167382051e-01 3.74 -8.778452897e-01 -8.778452897e-01 3.76 -8.402421675e-01 -8.402421675e-01 3.78 -8.039058457e-01 -8.039058457e-01 3.80 -7.688123955e-01 -7.688123955e-01 3.82 -7.349370998e-01 -7.349370998e-01 3.84 -7.022545914e-01 -7.022545914e-01 3.86 -6.707389790e-01 -6.707389790e-01 3.88 -6.403639637e-01 -6.403639637e-01 3.90 -6.111029452e-01 -6.111029452e-01 3.92 -5.829291196e-01 -5.829291196e-01 3.94 -5.558155675e-01 -5.558155675e-01 3.96 -5.297353353e-01 -5.297353353e-01 3.98 -5.046615074e-01 -5.046615074e-01 4.00 -4.805672728e-01 -4.805672728e-01 4.02 -4.574259841e-01 -4.574259841e-01 4.04 -4.352112102e-01 -4.352112102e-01 4.06 -4.138967844e-01 -4.138967844e-01 4.08 -3.934568457e-01 -3.934568457e-01 4.10 -3.738658761e-01 -3.738658761e-01 4.12 -3.550987333e-01 -3.550987333e-01 4.14 -3.371306786e-01 -3.371306786e-01 4.16 -3.199374014e-01 -3.199374014e-01 4.18 -3.034950400e-01 -3.034950400e-01 4.20 -2.877801994e-01 -2.877801994e-01 4.22 -2.727456432e-01 -2.727456432e-01 4.24 -2.583447796e-01 -2.583447796e-01 4.26 -2.445575491e-01 -2.445575491e-01 4.28 -2.313643591e-01 -2.313643591e-01 4.30 -2.187460838e-01 -2.187460838e-01 4.32 -2.066840665e-01 -2.066840665e-01 4.34 -1.951601199e-01 -1.951601199e-01 4.36 -1.841565261e-01 -1.841565261e-01 4.38 -1.736560346e-01 -1.736560346e-01 4.40 -1.636418586e-01 -1.636418586e-01 4.42 -1.540976708e-01 -1.540976708e-01 4.44 -1.450076007e-01 -1.450076007e-01 4.46 -1.363562280e-01 -1.363562280e-01 4.48 -1.281284949e-01 -1.281284949e-01 4.50 -1.203096137e-01 -1.203096137e-01 4.52 -1.128856857e-01 -1.128856857e-01 4.54 -1.058431638e-01 -1.058431638e-01 4.56 -9.916874921e-02 -9.916874921e-02 4.58 -9.284969486e-02 -9.284969486e-02 4.60 -8.687361137e-02 -8.687361137e-02 4.62 -8.122844685e-02 -8.122844685e-02 4.64 -7.590249730e-02 -7.590249730e-02 4.66 -7.087437095e-02 -7.087437095e-02 4.68 -6.611934562e-02 -6.611934562e-02 4.70 -6.162768098e-02 -6.162768098e-02 4.72 -5.739005495e-02 -5.739005495e-02 4.74 -5.339744726e-02 -5.339744726e-02 4.76 -4.964113398e-02 -4.964113398e-02 4.78 -4.611268115e-02 -4.611268115e-02 4.80 -4.280393799e-02 -4.280393799e-02 4.82 -3.970702969e-02 -3.970702969e-02 4.84 -3.681434986e-02 -3.681434986e-02 4.86 -3.411353479e-02 -3.411353479e-02 4.88 -3.156776437e-02 -3.156776437e-02 4.90 -2.915961766e-02 -2.915961766e-02 4.92 -2.688110454e-02 -2.688110454e-02 4.94 -2.472777193e-02 -2.472777193e-02 4.96 -2.269530828e-02 -2.269530828e-02 4.98 -2.077953993e-02 -2.077953993e-02 5.00 -1.897642746e-02 -1.897642746e-02 5.02 -1.728206200e-02 -1.728206200e-02 5.04 -1.569266168e-02 -1.569266168e-02 5.06 -1.420432793e-02 -1.420432793e-02 5.08 -1.281333406e-02 -1.281333406e-02 5.10 -1.151648378e-02 -1.151648378e-02 5.12 -1.031063134e-02 -1.031063134e-02 5.14 -9.192687911e-03 -9.192687911e-03 5.16 -8.159629811e-03 -8.159629811e-03 5.18 -7.208504869e-03 -7.208504869e-03 5.20 -6.336437233e-03 -6.336437233e-03 5.22 -5.540630824e-03 -5.540630824e-03 5.24 -4.818371666e-03 -4.818371666e-03 5.26 -4.167029250e-03 -4.167029250e-03 5.28 -3.584057108e-03 -3.584057108e-03 5.30 -3.066992715e-03 -3.066992715e-03 5.32 -2.613456841e-03 -2.613456841e-03 5.34 -2.221152464e-03 -2.221152464e-03 5.36 -1.887863129e-03 -1.887863129e-03 5.38 -1.597463522e-03 -1.597463522e-03 5.40 -1.334591813e-03 -1.334591813e-03 5.42 -1.098265077e-03 -1.098265077e-03 5.44 -8.875350651e-04 -8.875350651e-04 5.46 -7.014872647e-04 -7.014872647e-04 5.48 -5.392397906e-04 -5.392397906e-04 5.50 -3.999422986e-04 -3.999422986e-04 5.52 -2.827749158e-04 -2.827749158e-04 5.54 -1.869471941e-04 -1.869471941e-04 5.56 -1.116970871e-04 -1.116970871e-04 5.58 -5.628995270e-05 -5.628995270e-05 5.60 -2.001758173e-05 -2.001758173e-05 5.62 -2.197254084e-06 -2.197254084e-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