# 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 = AuCu2Pd # 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 3.139041490e+06 3.139041490e+06 0.88 2.859091139e+06 2.859091139e+06 0.90 2.603723192e+06 2.603723192e+06 0.92 2.370352729e+06 2.370352729e+06 0.94 2.156708739e+06 2.156708739e+06 0.96 1.960774579e+06 1.960774579e+06 0.98 1.780748255e+06 1.780748255e+06 1.00 1.615085906e+06 1.615085906e+06 1.02 1.462403897e+06 1.462403897e+06 1.04 1.321461821e+06 1.321461821e+06 1.06 1.191174145e+06 1.191174145e+06 1.08 1.070567064e+06 1.070567064e+06 1.10 9.587731587e+05 9.587731587e+05 1.12 8.550396164e+05 8.550396164e+05 1.14 7.586768062e+05 7.586768062e+05 1.16 6.690344917e+05 6.690344917e+05 1.18 5.855443463e+05 5.855443463e+05 1.20 5.077153544e+05 5.077153544e+05 1.22 4.350883126e+05 4.350883126e+05 1.24 3.672322282e+05 3.672322282e+05 1.26 3.038019717e+05 3.038019717e+05 1.28 2.461546388e+05 2.461546388e+05 1.30 1.962136044e+05 1.962136044e+05 1.32 1.561126596e+05 1.561126596e+05 1.34 1.243954852e+05 1.243954852e+05 1.36 9.926630556e+04 9.926630556e+04 1.38 7.932200608e+04 7.932200608e+04 1.40 6.346407901e+04 6.346407901e+04 1.42 5.083656826e+04 5.083656826e+04 1.44 4.076635126e+04 4.076635126e+04 1.46 3.272320952e+04 3.272320952e+04 1.48 2.628933838e+04 2.628933838e+04 1.50 2.113646929e+04 2.113646929e+04 1.52 1.700538047e+04 1.700538047e+04 1.54 1.369038389e+04 1.369038389e+04 1.56 1.102757424e+04 1.102757424e+04 1.58 8.886593275e+03 8.886593275e+03 1.60 7.163654651e+03 7.163654651e+03 1.62 5.776351865e+03 5.776351865e+03 1.64 4.658767654e+03 4.658767654e+03 1.66 3.758024629e+03 3.758024629e+03 1.68 3.031535696e+03 3.031535696e+03 1.70 2.445345662e+03 2.445345662e+03 1.72 1.972283614e+03 1.972283614e+03 1.74 1.590466475e+03 1.590466475e+03 1.76 1.282263746e+03 1.282263746e+03 1.78 1.033418673e+03 1.033418673e+03 1.80 8.324438489e+02 8.324438489e+02 1.82 6.701250853e+02 6.701250853e+02 1.84 5.390620237e+02 5.390620237e+02 1.86 4.332717026e+02 4.332717026e+02 1.88 3.479132957e+02 3.479132957e+02 1.90 2.790597435e+02 2.790597435e+02 1.92 2.235418918e+02 2.235418918e+02 1.94 1.787971998e+02 1.787971998e+02 1.96 1.427396461e+02 1.427396461e+02 1.98 1.137029203e+02 1.137029203e+02 2.00 9.033484115e+01 9.033484115e+01 2.02 7.154093586e+01 7.154093586e+01 2.04 5.644029656e+01 5.644029656e+01 2.06 4.431931995e+01 4.431931995e+01 2.08 3.459987765e+01 3.459987765e+01 2.10 2.681284407e+01 2.681284407e+01 2.12 2.058002805e+01 2.058002805e+01 2.14 1.559612530e+01 1.559612530e+01 2.16 1.161384056e+01 1.161384056e+01 2.18 8.434521772e+00 8.434521772e+00 2.20 5.898542368e+00 5.898542368e+00 2.22 3.877522829e+00 3.877522829e+00 2.24 2.268143225e+00 2.268143225e+00 2.26 9.872319209e-01 9.872319209e-01 2.28 -3.174664447e-02 -3.174664447e-02 2.30 -8.419832792e-01 -8.419832792e-01 2.32 -1.486017584e+00 -1.486017584e+00 2.34 -1.997793524e+00 -1.997793524e+00 2.36 -2.404337926e+00 -2.404337926e+00 2.38 -2.727129305e+00 -2.727129305e+00 2.40 -2.983193679e+00 -2.983193679e+00 2.42 -3.185996281e+00 -3.185996281e+00 2.44 -3.346162153e+00 -3.346162153e+00 2.46 -3.472056970e+00 -3.472056970e+00 2.48 -3.570252444e+00 -3.570252444e+00 2.50 -3.645898911e+00 -3.645898911e+00 2.52 -3.702998559e+00 -3.702998559e+00 2.54 -3.744710869e+00 -3.744710869e+00 2.56 -3.773523706e+00 -3.773523706e+00 2.58 -3.791397217e+00 -3.791397217e+00 2.60 -3.799882581e+00 -3.799882581e+00 2.62 -3.800148570e+00 -3.800148570e+00 2.64 -3.793102161e+00 -3.793102161e+00 2.66 -3.779538828e+00 -3.779538828e+00 2.68 -3.760115749e+00 -3.760115749e+00 2.70 -3.735376060e+00 -3.735376060e+00 2.72 -3.705783266e+00 -3.705783266e+00 2.74 -3.671752097e+00 -3.671752097e+00 2.76 -3.633654518e+00 -3.633654518e+00 2.78 -3.591830844e+00 -3.591830844e+00 2.80 -3.546597779e+00 -3.546597779e+00 2.82 -3.498211868e+00 -3.498211868e+00 2.84 -3.446907909e+00 -3.446907909e+00 2.86 -3.392953164e+00 -3.392953164e+00 2.88 -3.336611030e+00 -3.336611030e+00 2.90 -3.278136152e+00 -3.278136152e+00 2.92 -3.217774988e+00 -3.217774988e+00 2.94 -3.155766012e+00 -3.155766012e+00 2.96 -3.092311285e+00 -3.092311285e+00 2.98 -3.027603036e+00 -3.027603036e+00 3.00 -2.961853994e+00 -2.961853994e+00 3.02 -2.895268075e+00 -2.895268075e+00 3.04 -2.828040139e+00 -2.828040139e+00 3.06 -2.760341218e+00 -2.760341218e+00 3.08 -2.692265418e+00 -2.692265418e+00 3.10 -2.623964165e+00 -2.623964165e+00 3.12 -2.555591797e+00 -2.555591797e+00 3.14 -2.487293237e+00 -2.487293237e+00 3.16 -2.419204067e+00 -2.419204067e+00 3.18 -2.351450651e+00 -2.351450651e+00 3.20 -2.284150291e+00 -2.284150291e+00 3.22 -2.217411421e+00 -2.217411421e+00 3.24 -2.151333839e+00 -2.151333839e+00 3.26 -2.086008953e+00 -2.086008953e+00 3.28 -2.021520069e+00 -2.021520069e+00 3.30 -1.957921781e+00 -1.957921781e+00 3.32 -1.895250722e+00 -1.895250722e+00 3.34 -1.833568828e+00 -1.833568828e+00 3.36 -1.772931609e+00 -1.772931609e+00 3.38 -1.713388120e+00 -1.713388120e+00 3.40 -1.654981292e+00 -1.654981292e+00 3.42 -1.597748265e+00 -1.597748265e+00 3.44 -1.541720723e+00 -1.541720723e+00 3.46 -1.486916503e+00 -1.486916503e+00 3.48 -1.433324030e+00 -1.433324030e+00 3.50 -1.380958103e+00 -1.380958103e+00 3.52 -1.329832794e+00 -1.329832794e+00 3.54 -1.279958361e+00 -1.279958361e+00 3.56 -1.231341518e+00 -1.231341518e+00 3.58 -1.183985704e+00 -1.183985704e+00 3.60 -1.137891338e+00 -1.137891338e+00 3.62 -1.093056063e+00 -1.093056063e+00 3.64 -1.049474978e+00 -1.049474978e+00 3.66 -1.007140862e+00 -1.007140862e+00 3.68 -9.660443817e-01 -9.660443817e-01 3.70 -9.261742931e-01 -9.261742931e-01 3.72 -8.875176296e-01 -8.875176296e-01 3.74 -8.500598792e-01 -8.500598792e-01 3.76 -8.137851517e-01 -8.137851517e-01 3.78 -7.786763349e-01 -7.786763349e-01 3.80 -7.447152420e-01 -7.447152420e-01 3.82 -7.118827477e-01 -7.118827477e-01 3.84 -6.801589163e-01 -6.801589163e-01 3.86 -6.495231203e-01 -6.495231203e-01 3.88 -6.199541506e-01 -6.199541506e-01 3.90 -5.914303182e-01 -5.914303182e-01 3.92 -5.639295486e-01 -5.639295486e-01 3.94 -5.374294687e-01 -5.374294687e-01 3.96 -5.119074865e-01 -5.119074865e-01 3.98 -4.873408641e-01 -4.873408641e-01 4.00 -4.637067853e-01 -4.637067853e-01 4.02 -4.409824160e-01 -4.409824160e-01 4.04 -4.191449603e-01 -4.191449603e-01 4.06 -3.981717104e-01 -3.981717104e-01 4.08 -3.780400928e-01 -3.780400928e-01 4.10 -3.587277087e-01 -3.587277087e-01 4.12 -3.402123709e-01 -3.402123709e-01 4.14 -3.224721368e-01 -3.224721368e-01 4.16 -3.054853374e-01 -3.054853374e-01 4.18 -2.892306030e-01 -2.892306030e-01 4.20 -2.736868860e-01 -2.736868860e-01 4.22 -2.588334800e-01 -2.588334800e-01 4.24 -2.446500373e-01 -2.446500373e-01 4.26 -2.311165830e-01 -2.311165830e-01 4.28 -2.182135272e-01 -2.182135272e-01 4.30 -2.059216750e-01 -2.059216750e-01 4.32 -1.942185275e-01 -1.942185275e-01 4.34 -1.830444229e-01 -1.830444229e-01 4.36 -1.723713704e-01 -1.723713704e-01 4.38 -1.621836404e-01 -1.621836404e-01 4.40 -1.524658872e-01 -1.524658872e-01 4.42 -1.432031481e-01 -1.432031481e-01 4.44 -1.343808418e-01 -1.343808418e-01 4.46 -1.259847658e-01 -1.259847658e-01 4.48 -1.180010940e-01 -1.180010940e-01 4.50 -1.104163724e-01 -1.104163724e-01 4.52 -1.032175154e-01 -1.032175154e-01 4.54 -9.639180097e-02 -9.639180097e-02 4.56 -8.992686430e-02 -8.992686430e-02 4.58 -8.381069333e-02 -8.381069333e-02 4.60 -7.803162296e-02 -7.803162296e-02 4.62 -7.257832921e-02 -7.257832921e-02 4.64 -6.743967819e-02 -6.743967819e-02 4.66 -6.259484449e-02 -6.259484449e-02 4.68 -5.801980255e-02 -5.801980255e-02 4.70 -5.370559739e-02 -5.370559739e-02 4.72 -4.964361008e-02 -4.964361008e-02 4.74 -4.582541554e-02 -4.582541554e-02 4.76 -4.224279645e-02 -4.224279645e-02 4.78 -3.888775313e-02 -3.888775313e-02 4.80 -3.575251030e-02 -3.575251030e-02 4.82 -3.282952105e-02 -3.282952105e-02 4.84 -3.011146851e-02 -3.011146851e-02 4.86 -2.759126564e-02 -2.759126564e-02 4.88 -2.526180576e-02 -2.526180576e-02 4.90 -2.310932898e-02 -2.310932898e-02 4.92 -2.112447148e-02 -2.112447148e-02 4.94 -1.930145980e-02 -1.930145980e-02 4.96 -1.763471270e-02 -1.763471270e-02 4.98 -1.611883627e-02 -1.611883627e-02 5.00 -1.471986257e-02 -1.471986257e-02 5.02 -1.340531703e-02 -1.340531703e-02 5.04 -1.217225464e-02 -1.217225464e-02 5.06 -1.101766280e-02 -1.101766280e-02 5.08 -9.938658692e-03 -9.938658692e-03 5.10 -8.932734943e-03 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-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