# 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 = Ni2PdPt # 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 5.361080072e+06 5.361080072e+06 0.88 4.894431206e+06 4.894431206e+06 0.90 4.469221991e+06 4.469221991e+06 0.92 4.081050312e+06 4.081050312e+06 0.94 3.726024080e+06 3.726024080e+06 0.96 3.400719102e+06 3.400719102e+06 0.98 3.102176306e+06 3.102176306e+06 1.00 2.827760800e+06 2.827760800e+06 1.02 2.575152850e+06 2.575152850e+06 1.04 2.342262645e+06 2.342262645e+06 1.06 2.127239280e+06 2.127239280e+06 1.08 1.928475322e+06 1.928475322e+06 1.10 1.744509934e+06 1.744509934e+06 1.12 1.574031521e+06 1.574031521e+06 1.14 1.415867839e+06 1.415867839e+06 1.16 1.268950331e+06 1.268950331e+06 1.18 1.132344628e+06 1.132344628e+06 1.20 1.005196159e+06 1.005196159e+06 1.22 8.867418803e+05 8.867418803e+05 1.24 7.762698663e+05 7.762698663e+05 1.26 6.731526771e+05 6.731526771e+05 1.28 5.768208057e+05 5.768208057e+05 1.30 4.867501839e+05 4.867501839e+05 1.32 4.033016913e+05 4.033016913e+05 1.34 3.283912206e+05 3.283912206e+05 1.36 2.616482865e+05 2.616482865e+05 1.38 2.069994422e+05 2.069994422e+05 1.40 1.639579137e+05 1.639579137e+05 1.42 1.300056049e+05 1.300056049e+05 1.44 1.031800743e+05 1.031800743e+05 1.46 8.195748186e+04 8.195748186e+04 1.48 6.514941740e+04 6.514941740e+04 1.50 5.182352186e+04 5.182352186e+04 1.52 4.124765047e+04 4.124765047e+04 1.54 3.284722511e+04 3.284722511e+04 1.56 2.616948507e+04 2.616948507e+04 1.58 2.085681043e+04 2.085681043e+04 1.60 1.662630438e+04 1.662630438e+04 1.62 1.325543209e+04 1.325543209e+04 1.64 1.056827771e+04 1.056827771e+04 1.66 8.425410553e+03 8.425410553e+03 1.68 6.716154314e+03 6.716154314e+03 1.70 5.352538173e+03 5.352538173e+03 1.72 4.264555894e+03 4.264555894e+03 1.74 3.396284144e+03 3.396284144e+03 1.76 2.703356655e+03 2.703356655e+03 1.78 2.150462607e+03 2.150462607e+03 1.80 1.709384985e+03 1.709384985e+03 1.82 1.357534944e+03 1.357534944e+03 1.84 1.076963396e+03 1.076963396e+03 1.86 8.533589882e+02 8.533589882e+02 1.88 6.752723433e+02 6.752723433e+02 1.90 5.335098896e+02 5.335098896e+02 1.92 4.207399408e+02 4.207399408e+02 1.94 3.311185096e+02 3.311185096e+02 1.96 2.599683374e+02 2.599683374e+02 1.98 2.035523272e+02 2.035523272e+02 2.00 1.588793304e+02 1.588793304e+02 2.02 1.235560444e+02 1.235560444e+02 2.04 9.566869178e+01 9.566869178e+01 2.06 7.368802761e+01 7.368802761e+01 2.08 5.639303177e+01 5.639303177e+01 2.10 4.280886831e+01 4.280886831e+01 2.12 3.215899423e+01 3.215899423e+01 2.14 2.382583378e+01 2.382583378e+01 2.16 1.731774681e+01 1.731774681e+01 2.18 1.224604526e+01 1.224604526e+01 2.20 8.303376966e+00 8.303376966e+00 2.22 5.246193828e+00 5.246193828e+00 2.24 2.881794843e+00 2.881794843e+00 2.26 1.058049454e+00 1.058049454e+00 2.28 -3.448528122e-01 -3.448528122e-01 2.30 -1.421019727e+00 -1.421019727e+00 2.32 -2.244158352e+00 -2.244158352e+00 2.34 -2.871811991e+00 -2.871811991e+00 2.36 -3.348753665e+00 -3.348753665e+00 2.38 -3.709699846e+00 -3.709699846e+00 2.40 -3.981463520e+00 -3.981463520e+00 2.42 -4.184667828e+00 -4.184667828e+00 2.44 -4.335097203e+00 -4.335097203e+00 2.46 -4.444760163e+00 -4.444760163e+00 2.48 -4.522778254e+00 -4.522778254e+00 2.50 -4.576046737e+00 -4.576046737e+00 2.52 -4.609754232e+00 -4.609754232e+00 2.54 -4.627782532e+00 -4.627782532e+00 2.56 -4.632952345e+00 -4.632952345e+00 2.58 -4.627402463e+00 -4.627402463e+00 2.60 -4.612748043e+00 -4.612748043e+00 2.62 -4.590203100e+00 -4.590203100e+00 2.64 -4.560691211e+00 -4.560691211e+00 2.66 -4.524929053e+00 -4.524929053e+00 2.68 -4.483488782e+00 -4.483488782e+00 2.70 -4.436827472e+00 -4.436827472e+00 2.72 -4.385330446e+00 -4.385330446e+00 2.74 -4.329350573e+00 -4.329350573e+00 2.76 -4.269225553e+00 -4.269225553e+00 2.78 -4.205279435e+00 -4.205279435e+00 2.80 -4.137828942e+00 -4.137828942e+00 2.82 -4.067141090e+00 -4.067141090e+00 2.84 -3.993475523e+00 -3.993475523e+00 2.86 -3.917110693e+00 -3.917110693e+00 2.88 -3.838349409e+00 -3.838349409e+00 2.90 -3.757492010e+00 -3.757492010e+00 2.92 -3.674833773e+00 -3.674833773e+00 2.94 -3.590663591e+00 -3.590663591e+00 2.96 -3.505262613e+00 -3.505262613e+00 2.98 -3.418892942e+00 -3.418892942e+00 3.00 -3.331755196e+00 -3.331755196e+00 3.02 -3.244086788e+00 -3.244086788e+00 3.04 -3.156122923e+00 -3.156122923e+00 3.06 -3.068086130e+00 -3.068086130e+00 3.08 -2.980185822e+00 -2.980185822e+00 3.10 -2.892618008e+00 -2.892618008e+00 3.12 -2.805565155e+00 -2.805565155e+00 3.14 -2.719196170e+00 -2.719196170e+00 3.16 -2.633666508e+00 -2.633666508e+00 3.18 -2.549118379e+00 -2.549118379e+00 3.20 -2.465681043e+00 -2.465681043e+00 3.22 -2.383471179e+00 -2.383471179e+00 3.24 -2.302593325e+00 -2.302593325e+00 3.26 -2.223140353e+00 -2.223140353e+00 3.28 -2.145193991e+00 -2.145193991e+00 3.30 -2.068802744e+00 -2.068802744e+00 3.32 -1.993991165e+00 -1.993991165e+00 3.34 -1.920780024e+00 -1.920780024e+00 3.36 -1.849205808e+00 -1.849205808e+00 3.38 -1.779306304e+00 -1.779306304e+00 3.40 -1.711111655e+00 -1.711111655e+00 3.42 -1.644644893e+00 -1.644644893e+00 3.44 -1.579922470e+00 -1.579922470e+00 3.46 -1.516954763e+00 -1.516954763e+00 3.48 -1.455746570e+00 -1.455746570e+00 3.50 -1.396297582e+00 -1.396297582e+00 3.52 -1.338602841e+00 -1.338602841e+00 3.54 -1.282653166e+00 -1.282653166e+00 3.56 -1.228435565e+00 -1.228435565e+00 3.58 -1.175933624e+00 -1.175933624e+00 3.60 -1.125127870e+00 -1.125127870e+00 3.62 -1.075996115e+00 -1.075996115e+00 3.64 -1.028513775e+00 -1.028513775e+00 3.66 -9.826541700e-01 -9.826541700e-01 3.68 -9.383888033e-01 -9.383888033e-01 3.70 -8.956876185e-01 -8.956876185e-01 3.72 -8.545192393e-01 -8.545192393e-01 3.74 -8.148511890e-01 -8.148511890e-01 3.76 -7.766500942e-01 -7.766500942e-01 3.78 -7.398818697e-01 -7.398818697e-01 3.80 -7.045118894e-01 -7.045118894e-01 3.82 -6.705051405e-01 -6.705051405e-01 3.84 -6.378263649e-01 -6.378263649e-01 3.86 -6.064401863e-01 -6.064401863e-01 3.88 -5.763112258e-01 -5.763112258e-01 3.90 -5.474042049e-01 -5.474042049e-01 3.92 -5.196840389e-01 -5.196840389e-01 3.94 -4.931159189e-01 -4.931159189e-01 3.96 -4.676653855e-01 -4.676653855e-01 3.98 -4.432983935e-01 -4.432983935e-01 4.00 -4.199813686e-01 -4.199813686e-01 4.02 -3.976812568e-01 -3.976812568e-01 4.04 -3.763655671e-01 -3.763655671e-01 4.06 -3.560024078e-01 -3.560024078e-01 4.08 -3.365605177e-01 -3.365605177e-01 4.10 -3.180092910e-01 -3.180092910e-01 4.12 -3.003187989e-01 -3.003187989e-01 4.14 -2.834598059e-01 -2.834598059e-01 4.16 -2.674037823e-01 -2.674037823e-01 4.18 -2.521229136e-01 -2.521229136e-01 4.20 -2.375901069e-01 -2.375901069e-01 4.22 -2.237542634e-01 -2.237542634e-01 4.24 -2.105652209e-01 -2.105652209e-01 4.26 -1.980000298e-01 -1.980000298e-01 4.28 -1.860364092e-01 -1.860364092e-01 4.30 -1.746527369e-01 -1.746527369e-01 4.32 -1.638280418e-01 -1.638280418e-01 4.34 -1.535419949e-01 -1.535419949e-01 4.36 -1.437749003e-01 -1.437749003e-01 4.38 -1.345076847e-01 -1.345076847e-01 4.40 -1.257218840e-01 -1.257218840e-01 4.42 -1.173996324e-01 -1.173996324e-01 4.44 -1.095236512e-01 -1.095236512e-01 4.46 -1.020772356e-01 -1.020772356e-01 4.48 -9.504407047e-02 -9.504407047e-02 4.50 -8.840818308e-02 -8.840818308e-02 4.52 -8.215485916e-02 -8.215485916e-02 4.54 -7.626981906e-02 -7.626981906e-02 4.56 -7.073916653e-02 -7.073916653e-02 4.58 -6.554941135e-02 -6.554941135e-02 4.60 -6.068748396e-02 -6.068748396e-02 4.62 -5.614074376e-02 -5.614074376e-02 4.64 -5.189698210e-02 -5.189698210e-02 4.66 -4.793119915e-02 -4.793119915e-02 4.68 -4.421396808e-02 -4.421396808e-02 4.70 -4.073331643e-02 -4.073331643e-02 4.72 -3.747457598e-02 -3.747457598e-02 4.74 -3.442895631e-02 -3.442895631e-02 4.76 -3.158825808e-02 -3.158825808e-02 4.78 -2.894458556e-02 -2.894458556e-02 4.80 -2.649033543e-02 -2.649033543e-02 4.82 -2.421818675e-02 -2.421818675e-02 4.84 -2.212109318e-02 -2.212109318e-02 4.86 -2.018632075e-02 -2.018632075e-02 4.88 -1.837237409e-02 -1.837237409e-02 4.90 -1.666888619e-02 -1.666888619e-02 4.92 -1.507165185e-02 -1.507165185e-02 4.94 -1.357624098e-02 -1.357624098e-02 4.96 -1.217886974e-02 -1.217886974e-02 4.98 -1.087601848e-02 -1.087601848e-02 5.00 -9.664238198e-03 -9.664238198e-03 5.02 -8.540160011e-03 -8.540160011e-03 5.04 -7.500502232e-03 -7.500502232e-03 5.06 -6.542075623e-03 -6.542075623e-03 5.08 -5.661787036e-03 -5.661787036e-03 5.10 -4.856641719e-03 -4.856641719e-03 5.12 -4.123744509e-03 -4.123744509e-03 5.14 -3.460300099e-03 -3.460300099e-03 5.16 -2.863612553e-03 -2.863612553e-03 5.18 -2.331084203e-03 -2.331084203e-03 5.20 -1.860214045e-03 -1.860214045e-03 5.22 -1.448595747e-03 -1.448595747e-03 5.24 -1.093915345e-03 -1.093915345e-03 5.26 -7.939487109e-04 -7.939487109e-04 5.28 -5.465588424e-04 -5.465588424e-04 5.30 -3.496930412e-04 -3.496930412e-04 5.32 -2.013800108e-04 -2.013800108e-04 5.34 -9.972691823e-05 -9.972691823e-05 5.36 -4.291626873e-05 -4.291626873e-05 5.38 -1.522084008e-05 -1.522084008e-05 5.40 -1.666313345e-06 -1.666313345e-06 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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