# 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 = AgAu2Pt # 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 6.740142974e+06 6.740142974e+06 0.88 6.163679909e+06 6.163679909e+06 0.90 5.638106093e+06 5.638106093e+06 0.92 5.158022118e+06 5.158022118e+06 0.94 4.718667790e+06 4.718667790e+06 0.96 4.315908339e+06 4.315908339e+06 0.98 3.946034524e+06 3.946034524e+06 1.00 3.605808622e+06 3.605808622e+06 1.02 3.292376425e+06 3.292376425e+06 1.04 3.003236103e+06 3.003236103e+06 1.06 2.736130090e+06 2.736130090e+06 1.08 2.489065195e+06 2.489065195e+06 1.10 2.260203203e+06 2.260203203e+06 1.12 2.047949251e+06 2.047949251e+06 1.14 1.850876041e+06 1.850876041e+06 1.16 1.667670234e+06 1.667670234e+06 1.18 1.497171614e+06 1.497171614e+06 1.20 1.338344012e+06 1.338344012e+06 1.22 1.190231550e+06 1.190231550e+06 1.24 1.051990203e+06 1.051990203e+06 1.26 9.228557749e+05 9.228557749e+05 1.28 8.021283419e+05 8.021283419e+05 1.30 6.891428382e+05 6.891428382e+05 1.32 5.833119907e+05 5.833119907e+05 1.34 4.850874928e+05 4.850874928e+05 1.36 3.958442918e+05 3.958442918e+05 1.38 3.167272446e+05 3.167272446e+05 1.40 2.528815655e+05 2.528815655e+05 1.42 2.021544293e+05 2.021544293e+05 1.44 1.617893365e+05 1.617893365e+05 1.46 1.296251192e+05 1.296251192e+05 1.48 1.039624552e+05 1.039624552e+05 1.50 8.345909129e+04 8.345909129e+04 1.52 6.705642894e+04 6.705642894e+04 1.54 5.392051658e+04 5.392051658e+04 1.56 4.338958615e+04 4.338958615e+04 1.58 3.493780851e+04 3.493780851e+04 1.60 2.814852805e+04 2.814852805e+04 1.62 2.269028207e+04 2.269028207e+04 1.64 1.829881694e+04 1.829881694e+04 1.66 1.476255656e+04 1.476255656e+04 1.68 1.191231766e+04 1.191231766e+04 1.70 9.613918745e+03 9.613918745e+03 1.72 7.759856594e+03 7.759856594e+03 1.74 6.263709388e+03 6.263709388e+03 1.76 5.055954049e+03 5.055954049e+03 1.78 4.080817466e+03 4.080817466e+03 1.80 3.293391766e+03 3.293391766e+03 1.82 2.657471816e+03 2.657471816e+03 1.84 2.143864696e+03 2.143864696e+03 1.86 1.729055160e+03 1.729055160e+03 1.88 1.394061088e+03 1.394061088e+03 1.90 1.123483175e+03 1.123483175e+03 1.92 9.049405351e+02 9.049405351e+02 1.94 7.284712599e+02 7.284712599e+02 1.96 5.860225708e+02 5.860225708e+02 1.98 4.710797501e+02 4.710797501e+02 2.00 3.783672566e+02 3.783672566e+02 2.02 3.035956384e+02 3.035956384e+02 2.04 2.433210632e+02 2.433210632e+02 2.06 1.947616297e+02 1.947616297e+02 2.08 1.556643820e+02 1.556643820e+02 2.10 1.242051302e+02 1.242051302e+02 2.12 9.890487851e+01 9.890487851e+01 2.14 7.857000285e+01 7.857000285e+01 2.16 6.223619522e+01 6.223619522e+01 2.18 4.912321879e+01 4.912321879e+01 2.20 3.860016644e+01 3.860016644e+01 2.22 3.015828530e+01 3.015828530e+01 2.24 2.338917679e+01 2.338917679e+01 2.26 1.796175400e+01 1.796175400e+01 2.28 1.361037307e+01 1.361037307e+01 2.30 1.012222828e+01 1.012222828e+01 2.32 7.325897401e+00 7.325897401e+00 2.34 5.083477295e+00 5.083477295e+00 2.36 3.284179828e+00 3.284179828e+00 2.38 1.839143044e+00 1.839143044e+00 2.40 6.772127760e-01 6.772127760e-01 2.42 -2.585064281e-01 -2.585064281e-01 2.44 -1.013432446e+00 -1.013432446e+00 2.46 -1.623791542e+00 -1.623791542e+00 2.48 -2.118372244e+00 -2.118372244e+00 2.50 -2.520001546e+00 -2.520001546e+00 2.52 -2.846788887e+00 -2.846788887e+00 2.54 -3.113080119e+00 -3.113080119e+00 2.56 -3.330225647e+00 -3.330225647e+00 2.58 -3.507198003e+00 -3.507198003e+00 2.60 -3.651087375e+00 -3.651087375e+00 2.62 -3.767498309e+00 -3.767498309e+00 2.64 -3.860866529e+00 -3.860866529e+00 2.66 -3.934711274e+00 -3.934711274e+00 2.68 -3.991835660e+00 -3.991835660e+00 2.70 -4.034485270e+00 -4.034485270e+00 2.72 -4.064470416e+00 -4.064470416e+00 2.74 -4.083262767e+00 -4.083262767e+00 2.76 -4.092082867e+00 -4.092082867e+00 2.78 -4.091953993e+00 -4.091953993e+00 2.80 -4.083747828e+00 -4.083747828e+00 2.82 -4.068219021e+00 -4.068219021e+00 2.84 -4.045998520e+00 -4.045998520e+00 2.86 -4.017642027e+00 -4.017642027e+00 2.88 -3.983684406e+00 -3.983684406e+00 2.90 -3.944619532e+00 -3.944619532e+00 2.92 -3.900907687e+00 -3.900907687e+00 2.94 -3.852981561e+00 -3.852981561e+00 2.96 -3.801177642e+00 -3.801177642e+00 2.98 -3.745779836e+00 -3.745779836e+00 3.00 -3.687146673e+00 -3.687146673e+00 3.02 -3.625622162e+00 -3.625622162e+00 3.04 -3.561534742e+00 -3.561534742e+00 3.06 -3.495197875e+00 -3.495197875e+00 3.08 -3.426910411e+00 -3.426910411e+00 3.10 -3.356956803e+00 -3.356956803e+00 3.12 -3.285607243e+00 -3.285607243e+00 3.14 -3.213117756e+00 -3.213117756e+00 3.16 -3.139730297e+00 -3.139730297e+00 3.18 -3.065672858e+00 -3.065672858e+00 3.20 -2.991159622e+00 -2.991159622e+00 3.22 -2.916391137e+00 -2.916391137e+00 3.24 -2.841554556e+00 -2.841554556e+00 3.26 -2.766823906e+00 -2.766823906e+00 3.28 -2.692360412e+00 -2.692360412e+00 3.30 -2.618312853e+00 -2.618312853e+00 3.32 -2.544815846e+00 -2.544815846e+00 3.34 -2.471969855e+00 -2.471969855e+00 3.36 -2.399881807e+00 -2.399881807e+00 3.38 -2.328655115e+00 -2.328655115e+00 3.40 -2.258383085e+00 -2.258383085e+00 3.42 -2.189149394e+00 -2.189149394e+00 3.44 -2.121028585e+00 -2.121028585e+00 3.46 -2.054069016e+00 -2.054069016e+00 3.48 -1.988240243e+00 -1.988240243e+00 3.50 -1.923577915e+00 -1.923577915e+00 3.52 -1.860126169e+00 -1.860126169e+00 3.54 -1.797922721e+00 -1.797922721e+00 3.56 -1.736999288e+00 -1.736999288e+00 3.58 -1.677381993e+00 -1.677381993e+00 3.60 -1.619091764e+00 -1.619091764e+00 3.62 -1.562144707e+00 -1.562144707e+00 3.64 -1.506552474e+00 -1.506552474e+00 3.66 -1.452322606e+00 -1.452322606e+00 3.68 -1.399458873e+00 -1.399458873e+00 3.70 -1.347961581e+00 -1.347961581e+00 3.72 -1.297827875e+00 -1.297827875e+00 3.74 -1.249052023e+00 -1.249052023e+00 3.76 -1.201625682e+00 -1.201625682e+00 3.78 -1.155538151e+00 -1.155538151e+00 3.80 -1.110776604e+00 -1.110776604e+00 3.82 -1.067326318e+00 -1.067326318e+00 3.84 -1.025170875e+00 -1.025170875e+00 3.86 -9.842923593e-01 -9.842923593e-01 3.88 -9.446715361e-01 -9.446715361e-01 3.90 -9.062880212e-01 -9.062880212e-01 3.92 -8.691204359e-01 -8.691204359e-01 3.94 -8.331465521e-01 -8.331465521e-01 3.96 -7.983434252e-01 -7.983434252e-01 3.98 -7.646875180e-01 -7.646875180e-01 4.00 -7.321548133e-01 -7.321548133e-01 4.02 -7.007209187e-01 -7.007209187e-01 4.04 -6.703611615e-01 -6.703611615e-01 4.06 -6.410506761e-01 -6.410506761e-01 4.08 -6.127644833e-01 -6.127644833e-01 4.10 -5.854775630e-01 -5.854775630e-01 4.12 -5.591649193e-01 -5.591649193e-01 4.14 -5.338016397e-01 -5.338016397e-01 4.16 -5.093629489e-01 -5.093629489e-01 4.18 -4.858242562e-01 -4.858242562e-01 4.20 -4.631611984e-01 -4.631611984e-01 4.22 -4.413496781e-01 -4.413496781e-01 4.24 -4.203658971e-01 -4.203658971e-01 4.26 -4.001863863e-01 -4.001863863e-01 4.28 -3.807880314e-01 -3.807880314e-01 4.30 -3.621480955e-01 -3.621480955e-01 4.32 -3.442442384e-01 -3.442442384e-01 4.34 -3.270545329e-01 -3.270545329e-01 4.36 -3.105574784e-01 -3.105574784e-01 4.38 -2.947320127e-01 -2.947320127e-01 4.40 -2.795575203e-01 -2.795575203e-01 4.42 -2.650138397e-01 -2.650138397e-01 4.44 -2.510812688e-01 -2.510812688e-01 4.46 -2.377405678e-01 -2.377405678e-01 4.48 -2.249729614e-01 -2.249729614e-01 4.50 -2.127601394e-01 -2.127601394e-01 4.52 -2.010842556e-01 -2.010842556e-01 4.54 -1.899279265e-01 -1.899279265e-01 4.56 -1.792742278e-01 -1.792742278e-01 4.58 -1.691066913e-01 -1.691066913e-01 4.60 -1.594092997e-01 -1.594092997e-01 4.62 -1.501664822e-01 -1.501664822e-01 4.64 -1.413631076e-01 -1.413631076e-01 4.66 -1.329844788e-01 -1.329844788e-01 4.68 -1.250163255e-01 -1.250163255e-01 4.70 -1.174420626e-01 -1.174420626e-01 4.72 -1.102415733e-01 -1.102415733e-01 4.74 -1.034019313e-01 -1.034019313e-01 4.76 -9.691093024e-02 -9.691093024e-02 4.78 -9.075673305e-02 -9.075673305e-02 4.80 -8.492786452e-02 -8.492786452e-02 4.82 -7.941320315e-02 -7.941320315e-02 4.84 -7.420197305e-02 -7.420197305e-02 4.86 -6.928373591e-02 -6.928373591e-02 4.88 -6.464768960e-02 -6.464768960e-02 4.90 -6.025740920e-02 -6.025740920e-02 4.92 -5.608083626e-02 -5.608083626e-02 4.94 -5.211016292e-02 -5.211016292e-02 4.96 -4.833834672e-02 -4.833834672e-02 4.98 -4.475857380e-02 -4.475857380e-02 5.00 -4.136425042e-02 -4.136425042e-02 5.02 -3.814899726e-02 -3.814899726e-02 5.04 -3.510664235e-02 -3.510664235e-02 5.06 -3.223098929e-02 -3.223098929e-02 5.08 -2.951622431e-02 -2.951622431e-02 5.10 -2.695690375e-02 -2.695690375e-02 5.12 -2.454773381e-02 -2.454773381e-02 5.14 -2.228341534e-02 -2.228341534e-02 5.16 -2.015873372e-02 -2.015873372e-02 5.18 -1.816902216e-02 -1.816902216e-02 5.20 -1.630972783e-02 -1.630972783e-02 5.22 -1.457640539e-02 -1.457640539e-02 5.24 -1.296472277e-02 -1.296472277e-02 5.26 -1.147046535e-02 -1.147046535e-02 5.28 -1.008953876e-02 -1.008953876e-02 5.30 -8.817970530e-03 -8.817970530e-03 5.32 -7.651910742e-03 -7.651910742e-03 5.34 -6.587631870e-03 -6.587631870e-03 5.36 -5.621527926e-03 -5.621527926e-03 5.38 -4.750113044e-03 -4.750113044e-03 5.40 -3.970019594e-03 -3.970019594e-03 5.42 -3.276557164e-03 -3.276557164e-03 5.44 -2.658143386e-03 -2.658143386e-03 5.46 -2.110781911e-03 -2.110781911e-03 5.48 -1.632022635e-03 -1.632022635e-03 5.50 -1.219499305e-03 -1.219499305e-03 5.52 -8.709272080e-04 -8.709272080e-04 5.54 -5.841007902e-04 -5.841007902e-04 5.56 -3.568912417e-04 -3.568912417e-04 5.58 -1.872440618e-04 -1.872440618e-04 5.60 -7.317662368e-05 -7.317662368e-05 5.62 -1.277575384e-05 -1.277575384e-05 5.64 2.199095067e-11 2.199095067e-11 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