# 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 = AgAu2Cu # 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 4.677378429e+06 4.677378429e+06 0.88 4.259849947e+06 4.259849947e+06 0.90 3.879002523e+06 3.879002523e+06 0.92 3.530969244e+06 3.530969244e+06 0.94 3.212338181e+06 3.212338181e+06 0.96 2.920135313e+06 2.920135313e+06 0.98 2.651644882e+06 2.651644882e+06 1.00 2.404538759e+06 2.404538759e+06 1.02 2.176746726e+06 2.176746726e+06 1.04 1.966475805e+06 1.966475805e+06 1.06 1.772113898e+06 1.772113898e+06 1.08 1.592207670e+06 1.592207670e+06 1.10 1.425436794e+06 1.425436794e+06 1.12 1.270668633e+06 1.270668633e+06 1.14 1.126874516e+06 1.126874516e+06 1.16 9.930965696e+05 9.930965696e+05 1.18 8.684969366e+05 8.684969366e+05 1.20 7.523337423e+05 7.523337423e+05 1.22 6.439087739e+05 6.439087739e+05 1.24 5.426093139e+05 5.426093139e+05 1.26 4.478959090e+05 4.478959090e+05 1.28 3.621838822e+05 3.621838822e+05 1.30 2.889008635e+05 2.889008635e+05 1.32 2.304786315e+05 2.304786315e+05 1.34 1.841704790e+05 1.841704790e+05 1.36 1.473977675e+05 1.473977675e+05 1.38 1.181400413e+05 1.181400413e+05 1.40 9.481502744e+04 9.481502744e+04 1.42 7.619168466e+04 7.619168466e+04 1.44 6.130038241e+04 6.130038241e+04 1.46 4.937524112e+04 4.937524112e+04 1.48 3.981100667e+04 3.981100667e+04 1.50 3.212913333e+04 3.212913333e+04 1.52 2.595113816e+04 2.595113816e+04 1.54 2.097748760e+04 2.097748760e+04 1.56 1.696909055e+04 1.696909055e+04 1.58 1.373523862e+04 1.373523862e+04 1.60 1.112419674e+04 1.112419674e+04 1.62 9.014450813e+03 9.014450813e+03 1.64 7.308449835e+03 7.308449835e+03 1.66 5.927622121e+03 5.927622121e+03 1.68 4.808728967e+03 4.808728967e+03 1.70 3.901589875e+03 3.901589875e+03 1.72 3.165896897e+03 3.165896897e+03 1.74 2.569056055e+03 2.569056055e+03 1.76 2.084692517e+03 2.084692517e+03 1.78 1.691512898e+03 1.691512898e+03 1.80 1.372289206e+03 1.372289206e+03 1.82 1.113099029e+03 1.113099029e+03 1.84 9.026514266e+02 9.026514266e+02 1.86 7.317856756e+02 7.317856756e+02 1.88 5.930657321e+02 5.930657321e+02 1.90 4.804149231e+02 4.804149231e+02 1.92 3.889317240e+02 3.889317240e+02 1.94 3.146540828e+02 3.146540828e+02 1.96 2.543452071e+02 2.543452071e+02 1.98 2.053952633e+02 2.053952633e+02 2.00 1.656764334e+02 1.656764334e+02 2.02 1.334487246e+02 1.334487246e+02 2.04 1.073114925e+02 1.073114925e+02 2.06 8.612643035e+01 8.612643035e+01 2.08 6.896551917e+01 6.896551917e+01 2.10 5.507249752e+01 5.507249752e+01 2.12 4.383137052e+01 4.383137052e+01 2.14 3.474066901e+01 3.474066901e+01 2.16 2.739240071e+01 2.739240071e+01 2.18 2.145464626e+01 2.145464626e+01 2.20 1.665728294e+01 1.665728294e+01 2.22 1.278136402e+01 1.278136402e+01 2.24 9.650321998e+00 9.650321998e+00 2.26 7.120080773e+00 7.120080773e+00 2.28 5.074653940e+00 5.074653940e+00 2.30 3.420723862e+00 3.420723862e+00 2.32 2.082701838e+00 2.082701838e+00 2.34 9.994463363e-01 9.994463363e-01 2.36 1.215749702e-01 1.215749702e-01 2.38 -5.907359073e-01 -5.907359073e-01 2.40 -1.169550908e+00 -1.169550908e+00 2.42 -1.640646180e+00 -1.640646180e+00 2.44 -2.024709832e+00 -2.024709832e+00 2.46 -2.338329419e+00 -2.338329419e+00 2.48 -2.594763565e+00 -2.594763565e+00 2.50 -2.804594550e+00 -2.804594550e+00 2.52 -2.976272144e+00 -2.976272144e+00 2.54 -3.116523553e+00 -3.116523553e+00 2.56 -3.230718412e+00 -3.230718412e+00 2.58 -3.323145482e+00 -3.323145482e+00 2.60 -3.397233737e+00 -3.397233737e+00 2.62 -3.455710235e+00 -3.455710235e+00 2.64 -3.500752354e+00 -3.500752354e+00 2.66 -3.534133011e+00 -3.534133011e+00 2.68 -3.557293016e+00 -3.557293016e+00 2.70 -3.571413085e+00 -3.571413085e+00 2.72 -3.577470967e+00 -3.577470967e+00 2.74 -3.576286528e+00 -3.576286528e+00 2.76 -3.568557151e+00 -3.568557151e+00 2.78 -3.554885362e+00 -3.554885362e+00 2.80 -3.535800257e+00 -3.535800257e+00 2.82 -3.511773006e+00 -3.511773006e+00 2.84 -3.483199521e+00 -3.483199521e+00 2.86 -3.450451749e+00 -3.450451749e+00 2.88 -3.413891941e+00 -3.413891941e+00 2.90 -3.373859886e+00 -3.373859886e+00 2.92 -3.330676731e+00 -3.330676731e+00 2.94 -3.284647700e+00 -3.284647700e+00 2.96 -3.235992530e+00 -3.235992530e+00 2.98 -3.184884864e+00 -3.184884864e+00 3.00 -3.131583168e+00 -3.131583168e+00 3.02 -3.076337108e+00 -3.076337108e+00 3.04 -3.019385594e+00 -3.019385594e+00 3.06 -2.960950112e+00 -2.960950112e+00 3.08 -2.901209747e+00 -2.901209747e+00 3.10 -2.840365081e+00 -2.840365081e+00 3.12 -2.778612392e+00 -2.778612392e+00 3.14 -2.716137845e+00 -2.716137845e+00 3.16 -2.653117572e+00 -2.653117572e+00 3.18 -2.589717763e+00 -2.589717763e+00 3.20 -2.526094780e+00 -2.526094780e+00 3.22 -2.462395296e+00 -2.462395296e+00 3.24 -2.398756458e+00 -2.398756458e+00 3.26 -2.335306084e+00 -2.335306084e+00 3.28 -2.272162887e+00 -2.272162887e+00 3.30 -2.209436712e+00 -2.209436712e+00 3.32 -2.147228811e+00 -2.147228811e+00 3.34 -2.085632127e+00 -2.085632127e+00 3.36 -2.024731594e+00 -2.024731594e+00 3.38 -1.964604460e+00 -1.964604460e+00 3.40 -1.905320604e+00 -1.905320604e+00 3.42 -1.846942877e+00 -1.846942877e+00 3.44 -1.789527434e+00 -1.789527434e+00 3.46 -1.733105909e+00 -1.733105909e+00 3.48 -1.677631446e+00 -1.677631446e+00 3.50 -1.623127925e+00 -1.623127925e+00 3.52 -1.569629880e+00 -1.569629880e+00 3.54 -1.517167072e+00 -1.517167072e+00 3.56 -1.465764778e+00 -1.465764778e+00 3.58 -1.415444072e+00 -1.415444072e+00 3.60 -1.366222104e+00 -1.366222104e+00 3.62 -1.318112361e+00 -1.318112361e+00 3.64 -1.271124927e+00 -1.271124927e+00 3.66 -1.225266731e+00 -1.225266731e+00 3.68 -1.180541776e+00 -1.180541776e+00 3.70 -1.136951377e+00 -1.136951377e+00 3.72 -1.094494366e+00 -1.094494366e+00 3.74 -1.053167306e+00 -1.053167306e+00 3.76 -1.012964680e+00 -1.012964680e+00 3.78 -9.738790804e-01 -9.738790804e-01 3.80 -9.359013825e-01 -9.359013825e-01 3.82 -8.990209090e-01 -8.990209090e-01 3.84 -8.632255863e-01 -8.632255863e-01 3.86 -8.285020904e-01 -8.285020904e-01 3.88 -7.948359838e-01 -7.948359838e-01 3.90 -7.622118441e-01 -7.622118441e-01 3.92 -7.306133838e-01 -7.306133838e-01 3.94 -7.000235620e-01 -7.000235620e-01 3.96 -6.704246886e-01 -6.704246886e-01 3.98 -6.417985211e-01 -6.417985211e-01 4.00 -6.141263542e-01 -6.141263542e-01 4.02 -5.873891024e-01 -5.873891024e-01 4.04 -5.615673774e-01 -5.615673774e-01 4.06 -5.366415578e-01 -5.366415578e-01 4.08 -5.125918548e-01 -5.125918548e-01 4.10 -4.893983712e-01 -4.893983712e-01 4.12 -4.670411563e-01 -4.670411563e-01 4.14 -4.455002551e-01 -4.455002551e-01 4.16 -4.247557542e-01 -4.247557542e-01 4.18 -4.047878224e-01 -4.047878224e-01 4.20 -3.855767480e-01 -3.855767480e-01 4.22 -3.671029724e-01 -3.671029724e-01 4.24 -3.493471200e-01 -3.493471200e-01 4.26 -3.322900253e-01 -3.322900253e-01 4.28 -3.159127564e-01 -3.159127564e-01 4.30 -3.001966366e-01 -3.001966366e-01 4.32 -2.851214210e-01 -2.851214210e-01 4.34 -2.706484780e-01 -2.706484780e-01 4.36 -2.567549913e-01 -2.567549913e-01 4.38 -2.434243461e-01 -2.434243461e-01 4.40 -2.306402391e-01 -2.306402391e-01 4.42 -2.183866857e-01 -2.183866857e-01 4.44 -2.066480262e-01 -2.066480262e-01 4.46 -1.954089308e-01 -1.954089308e-01 4.48 -1.846544030e-01 -1.846544030e-01 4.50 -1.743697819e-01 -1.743697819e-01 4.52 -1.645407441e-01 -1.645407441e-01 4.54 -1.551533035e-01 -1.551533035e-01 4.56 -1.461938117e-01 -1.461938117e-01 4.58 -1.376489564e-01 -1.376489564e-01 4.60 -1.295057599e-01 -1.295057599e-01 4.62 -1.217515768e-01 -1.217515768e-01 4.64 -1.143740906e-01 -1.143740906e-01 4.66 -1.073613109e-01 -1.073613109e-01 4.68 -1.007015692e-01 -1.007015692e-01 4.70 -9.438351486e-02 -9.438351486e-02 4.72 -8.839611029e-02 -8.839611029e-02 4.74 -8.272862634e-02 -8.272862634e-02 4.76 -7.737063710e-02 -7.737063710e-02 4.78 -7.231201460e-02 -7.231201460e-02 4.80 -6.754292332e-02 -6.754292332e-02 4.82 -6.305381532e-02 -6.305381532e-02 4.84 -5.883542248e-02 -5.883542248e-02 4.86 -5.487875154e-02 -5.487875154e-02 4.88 -5.117438368e-02 -5.117438368e-02 4.90 -4.768937393e-02 -4.768937393e-02 4.92 -4.439761515e-02 -4.439761515e-02 4.94 -4.129246009e-02 -4.129246009e-02 4.96 -3.836780723e-02 -3.836780723e-02 4.98 -3.561774032e-02 -3.561774032e-02 5.00 -3.301958404e-02 -3.301958404e-02 5.02 -3.055163180e-02 -3.055163180e-02 5.04 -2.820967976e-02 -2.820967976e-02 5.06 -2.598963871e-02 -2.598963871e-02 5.08 -2.388753306e-02 -2.388753306e-02 5.10 -2.189949994e-02 -2.189949994e-02 5.12 -2.002178795e-02 -2.002178795e-02 5.14 -1.825063157e-02 -1.825063157e-02 5.16 -1.658232068e-02 -1.658232068e-02 5.18 -1.501356738e-02 -1.501356738e-02 5.20 -1.354116014e-02 -1.354116014e-02 5.22 -1.216195789e-02 -1.216195789e-02 5.24 -1.087289421e-02 -1.087289421e-02 5.26 -9.670980372e-03 -9.670980372e-03 5.28 -8.553307530e-03 -8.553307530e-03 5.30 -7.517048076e-03 -7.517048076e-03 5.32 -6.559456380e-03 -6.559456380e-03 5.34 -5.677868955e-03 -5.677868955e-03 5.36 -4.869704150e-03 -4.869704150e-03 5.38 -4.132461455e-03 -4.132461455e-03 5.40 -3.463720476e-03 -3.463720476e-03 5.42 -2.861139649e-03 -2.861139649e-03 5.44 -2.322454734e-03 -2.322454734e-03 5.46 -1.845477141e-03 -1.845477141e-03 5.48 -1.428092113e-03 -1.428092113e-03 5.50 -1.068256824e-03 -1.068256824e-03 5.52 -7.639983824e-04 -7.639983824e-04 5.54 -5.134118030e-04 -5.134118030e-04 5.56 -3.146579364e-04 -3.146579364e-04 5.58 -1.659613922e-04 -1.659613922e-04 5.60 -6.560846161e-05 -6.560846161e-05 5.62 -1.194505371e-05 -1.194505371e-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