# 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 = AuCu2Pt # 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 4.614969818e+06 4.614969818e+06 0.88 4.206198068e+06 4.206198068e+06 0.90 3.833597162e+06 3.833597162e+06 0.92 3.493361074e+06 3.493361074e+06 0.94 3.182111871e+06 3.182111871e+06 0.96 2.896892808e+06 2.896892808e+06 0.98 2.635039874e+06 2.635039874e+06 1.00 2.394281384e+06 2.394281384e+06 1.02 2.172568421e+06 2.172568421e+06 1.04 1.968103102e+06 1.968103102e+06 1.06 1.779289331e+06 1.779289331e+06 1.08 1.604687623e+06 1.604687623e+06 1.10 1.443028081e+06 1.443028081e+06 1.12 1.293190484e+06 1.293190484e+06 1.14 1.154147464e+06 1.154147464e+06 1.16 1.024949569e+06 1.024949569e+06 1.18 9.047633721e+05 9.047633721e+05 1.20 7.928571803e+05 7.928571803e+05 1.22 6.885532637e+05 6.885532637e+05 1.24 5.912261292e+05 5.912261292e+05 1.26 5.003351347e+05 5.003351347e+05 1.28 4.167944097e+05 4.167944097e+05 1.30 3.419108777e+05 3.419108777e+05 1.32 2.762732040e+05 2.762732040e+05 1.34 2.198530916e+05 2.198530916e+05 1.36 1.743493164e+05 1.743493164e+05 1.38 1.384447272e+05 1.384447272e+05 1.40 1.100650295e+05 1.100650295e+05 1.42 8.760168477e+04 8.760168477e+04 1.44 6.979684814e+04 6.979684814e+04 1.46 5.566343240e+04 5.566343240e+04 1.48 4.442752325e+04 4.442752325e+04 1.50 3.548410929e+04 3.548410929e+04 1.52 2.835842198e+04 2.835842198e+04 1.54 2.267603799e+04 2.267603799e+04 1.56 1.814056969e+04 1.814056969e+04 1.58 1.451781102e+04 1.451781102e+04 1.60 1.162211497e+04 1.162211497e+04 1.62 9.306141639e+03 9.306141639e+03 1.64 7.452949743e+03 7.452949743e+03 1.66 5.969360091e+03 5.969360091e+03 1.68 4.780885860e+03 4.780885860e+03 1.70 3.828457877e+03 3.828457877e+03 1.72 3.065118028e+03 3.065118028e+03 1.74 2.453291856e+03 2.453291856e+03 1.76 1.962901120e+03 1.962901120e+03 1.78 1.569794365e+03 1.569794365e+03 1.80 1.254651739e+03 1.254651739e+03 1.82 1.002070101e+03 1.002070101e+03 1.84 7.996844773e+02 7.996844773e+02 1.86 6.375883515e+02 6.375883515e+02 1.88 5.078242030e+02 5.078242030e+02 1.90 4.039865211e+02 4.039865211e+02 1.92 3.209415285e+02 3.209415285e+02 1.94 2.545640224e+02 2.545640224e+02 1.96 2.015268495e+02 2.015268495e+02 1.98 1.591856639e+02 1.591856639e+02 2.00 1.254105129e+02 1.254105129e+02 2.02 9.849167112e+01 9.849167112e+01 2.04 7.706258881e+01 7.706258881e+01 2.06 6.002481541e+01 6.002481541e+01 2.08 4.649564669e+01 4.649564669e+01 2.10 3.576632801e+01 3.576632801e+01 2.12 2.726789119e+01 2.726789119e+01 2.14 2.054495592e+01 2.054495592e+01 2.16 1.523310322e+01 1.523310322e+01 2.18 1.104022037e+01 1.104022037e+01 2.20 7.734076860e+00 7.734076860e+00 2.22 5.129851605e+00 5.129851605e+00 2.24 3.080418591e+00 3.080418591e+00 2.26 1.468590000e+00 1.468590000e+00 2.28 2.015663524e-01 2.015663524e-01 2.30 -7.940526841e-01 -7.940526841e-01 2.32 -1.576307437e+00 -1.576307437e+00 2.34 -2.190978790e+00 -2.190978790e+00 2.36 -2.674082445e+00 -2.674082445e+00 2.38 -3.053872436e+00 -3.053872436e+00 2.40 -3.352453831e+00 -3.352453831e+00 2.42 -3.587071609e+00 -3.587071609e+00 2.44 -3.771140584e+00 -3.771140584e+00 2.46 -3.915066154e+00 -3.915066154e+00 2.48 -4.026897300e+00 -4.026897300e+00 2.50 -4.112842808e+00 -4.112842808e+00 2.52 -4.177653920e+00 -4.177653920e+00 2.54 -4.225014006e+00 -4.225014006e+00 2.56 -4.257773556e+00 -4.257773556e+00 2.58 -4.278141587e+00 -4.278141587e+00 2.60 -4.287839697e+00 -4.287839697e+00 2.62 -4.288152514e+00 -4.288152514e+00 2.64 -4.280065138e+00 -4.280065138e+00 2.66 -4.264430542e+00 -4.264430542e+00 2.68 -4.241951639e+00 -4.241951639e+00 2.70 -4.213221848e+00 -4.213221848e+00 2.72 -4.178752489e+00 -4.178752489e+00 2.74 -4.138993366e+00 -4.138993366e+00 2.76 -4.094360864e+00 -4.094360864e+00 2.78 -4.045243345e+00 -4.045243345e+00 2.80 -3.992008906e+00 -3.992008906e+00 2.82 -3.935009987e+00 -3.935009987e+00 2.84 -3.874559998e+00 -3.874559998e+00 2.86 -3.810955873e+00 -3.810955873e+00 2.88 -3.744518228e+00 -3.744518228e+00 2.90 -3.675560580e+00 -3.675560580e+00 2.92 -3.604387837e+00 -3.604387837e+00 2.94 -3.531295850e+00 -3.531295850e+00 2.96 -3.456541261e+00 -3.456541261e+00 2.98 -3.380368484e+00 -3.380368484e+00 3.00 -3.303041018e+00 -3.303041018e+00 3.02 -3.224810765e+00 -3.224810765e+00 3.04 -3.145917557e+00 -3.145917557e+00 3.06 -3.066573541e+00 -3.066573541e+00 3.08 -2.986907417e+00 -2.986907417e+00 3.10 -2.907104989e+00 -2.907104989e+00 3.12 -2.827352357e+00 -2.827352357e+00 3.14 -2.747823063e+00 -2.747823063e+00 3.16 -2.668678245e+00 -2.668678245e+00 3.18 -2.590066851e+00 -2.590066851e+00 3.20 -2.512125927e+00 -2.512125927e+00 3.22 -2.434980941e+00 -2.434980941e+00 3.24 -2.358746164e+00 -2.358746164e+00 3.26 -2.283525080e+00 -2.283525080e+00 3.28 -2.209410822e+00 -2.209410822e+00 3.30 -2.136486639e+00 -2.136486639e+00 3.32 -2.064823790e+00 -2.064823790e+00 3.34 -1.994457381e+00 -1.994457381e+00 3.36 -1.925436071e+00 -1.925436071e+00 3.38 -1.857809344e+00 -1.857809344e+00 3.40 -1.791619301e+00 -1.791619301e+00 3.42 -1.726901122e+00 -1.726901122e+00 3.44 -1.663683528e+00 -1.663683528e+00 3.46 -1.601980266e+00 -1.601980266e+00 3.48 -1.541774296e+00 -1.541774296e+00 3.50 -1.483075227e+00 -1.483075227e+00 3.52 -1.425891452e+00 -1.425891452e+00 3.54 -1.370227050e+00 -1.370227050e+00 3.56 -1.316082144e+00 -1.316082144e+00 3.58 -1.263453240e+00 -1.263453240e+00 3.60 -1.212333550e+00 -1.212333550e+00 3.62 -1.162713301e+00 -1.162713301e+00 3.64 -1.114580022e+00 -1.114580022e+00 3.66 -1.067918818e+00 -1.067918818e+00 3.68 -1.022712625e+00 -1.022712625e+00 3.70 -9.789424520e-01 -9.789424520e-01 3.72 -9.365876033e-01 -9.365876033e-01 3.74 -8.956258890e-01 -8.956258890e-01 3.76 -8.560338193e-01 -8.560338193e-01 3.78 -8.177867859e-01 -8.177867859e-01 3.80 -7.808592286e-01 -7.808592286e-01 3.82 -7.452247911e-01 -7.452247911e-01 3.84 -7.108564625e-01 -7.108564625e-01 3.86 -6.777267097e-01 -6.777267097e-01 3.88 -6.458075968e-01 -6.458075968e-01 3.90 -6.150708958e-01 -6.150708958e-01 3.92 -5.854881867e-01 -5.854881867e-01 3.94 -5.570309493e-01 -5.570309493e-01 3.96 -5.296706461e-01 -5.296706461e-01 3.98 -5.033787974e-01 -5.033787974e-01 4.00 -4.781270486e-01 -4.781270486e-01 4.02 -4.538872314e-01 -4.538872314e-01 4.04 -4.306314180e-01 -4.306314180e-01 4.06 -4.083319693e-01 -4.083319693e-01 4.08 -3.869615780e-01 -3.869615780e-01 4.10 -3.664933060e-01 -3.664933060e-01 4.12 -3.469006177e-01 -3.469006177e-01 4.14 -3.281574086e-01 -3.281574086e-01 4.16 -3.102380296e-01 -3.102380296e-01 4.18 -2.931173084e-01 -2.931173084e-01 4.20 -2.767705668e-01 -2.767705668e-01 4.22 -2.611736351e-01 -2.611736351e-01 4.24 -2.463028639e-01 -2.463028639e-01 4.26 -2.321351332e-01 -2.321351332e-01 4.28 -2.186478590e-01 -2.186478590e-01 4.30 -2.058189978e-01 -2.058189978e-01 4.32 -1.936233130e-01 -1.936233130e-01 4.34 -1.819982619e-01 -1.819982619e-01 4.36 -1.709133895e-01 -1.709133895e-01 4.38 -1.603507191e-01 -1.603507191e-01 4.40 -1.502927693e-01 -1.502927693e-01 4.42 -1.407225493e-01 -1.407225493e-01 4.44 -1.316235527e-01 -1.316235527e-01 4.46 -1.229797508e-01 -1.229797508e-01 4.48 -1.147755851e-01 -1.147755851e-01 4.50 -1.069959598e-01 -1.069959598e-01 4.52 -9.962623379e-02 -9.962623379e-02 4.54 -9.265221141e-02 -9.265221141e-02 4.56 -8.606013361e-02 -8.606013361e-02 4.58 -7.983666840e-02 -7.983666840e-02 4.60 -7.396890128e-02 -7.396890128e-02 4.62 -6.844432715e-02 -6.844432715e-02 4.64 -6.325070762e-02 -6.325070762e-02 4.66 -5.837611067e-02 -5.837611067e-02 4.68 -5.380901556e-02 -5.380901556e-02 4.70 -4.953569157e-02 -4.953569157e-02 4.72 -4.553820017e-02 -4.553820017e-02 4.74 -4.180660738e-02 -4.180660738e-02 4.76 -3.833158637e-02 -3.833158637e-02 4.78 -3.510404728e-02 -3.510404728e-02 4.80 -3.211515384e-02 -3.211515384e-02 4.82 -2.935633464e-02 -2.935633464e-02 4.84 -2.681928993e-02 -2.681928993e-02 4.86 -2.449599491e-02 -2.449599491e-02 4.88 -2.237824019e-02 -2.237824019e-02 4.90 -2.044532040e-02 -2.044532040e-02 4.92 -1.868454917e-02 -1.868454917e-02 4.94 -1.708976692e-02 -1.708976692e-02 4.96 -1.565503360e-02 -1.565503360e-02 4.98 -1.437462250e-02 -1.437462250e-02 5.00 -1.320395463e-02 -1.320395463e-02 5.02 -1.210044401e-02 -1.210044401e-02 5.04 -1.106142250e-02 -1.106142250e-02 5.06 -1.008437647e-02 -1.008437647e-02 5.08 -9.167088942e-03 -9.167088942e-03 5.10 -8.307397436e-03 -8.307397436e-03 5.12 -7.503196718e-03 -7.503196718e-03 5.14 -6.752441011e-03 -6.752441011e-03 5.16 -6.053145474e-03 -6.053145474e-03 5.18 -5.403387071e-03 -5.403387071e-03 5.20 -4.801304904e-03 -4.801304904e-03 5.22 -4.245100118e-03 -4.245100118e-03 5.24 -3.733035441e-03 -3.733035441e-03 5.26 -3.263434430e-03 -3.263434430e-03 5.28 -2.834680472e-03 -2.834680472e-03 5.30 -2.445215600e-03 -2.445215600e-03 5.32 -2.093539147e-03 -2.093539147e-03 5.34 -1.778206289e-03 -1.778206289e-03 5.36 -1.497826502e-03 -1.497826502e-03 5.38 -1.251061947e-03 -1.251061947e-03 5.40 -1.036625826e-03 -1.036625826e-03 5.42 -8.520062647e-04 -8.520062647e-04 5.44 -6.885336746e-04 -6.885336746e-04 5.46 -5.442059666e-04 -5.442059666e-04 5.48 -4.183396902e-04 -4.183396902e-04 5.50 -3.102757927e-04 -3.102757927e-04 5.52 -2.193787909e-04 -2.193787909e-04 5.54 -1.450359603e-04 -1.450359603e-04 5.56 -8.665654415e-05 -8.665654415e-05 5.58 -4.367098291e-05 -4.367098291e-05 5.60 -1.553016443e-05 -1.553016443e-05 5.62 -1.704695776e-06 -1.704695776e-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