# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgMg2Mo # 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 2024-04-11 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 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.565586334e+02 3.565586334e+02 1.30 3.302518238e+02 3.302518238e+02 1.32 3.059363110e+02 3.059363110e+02 1.34 2.834519437e+02 2.834519437e+02 1.36 2.626503271e+02 2.626503271e+02 1.38 2.433943414e+02 2.433943414e+02 1.40 2.255581242e+02 2.255581242e+02 1.42 2.090269612e+02 2.090269612e+02 1.44 1.936967778e+02 1.936967778e+02 1.46 1.794732656e+02 1.794732656e+02 1.48 1.662709711e+02 1.662709711e+02 1.50 1.540125537e+02 1.540125537e+02 1.52 1.426280924e+02 1.426280924e+02 1.54 1.320542394e+02 1.320542394e+02 1.56 1.222332863e+02 1.222332863e+02 1.58 1.131123026e+02 1.131123026e+02 1.60 1.046424092e+02 1.046424092e+02 1.62 9.677828297e+01 9.677828297e+01 1.64 8.947960587e+01 8.947960587e+01 1.66 8.270726429e+01 8.270726429e+01 1.68 7.642491604e+01 7.642491604e+01 1.70 7.059718472e+01 7.059718472e+01 1.72 6.519095181e+01 6.519095181e+01 1.74 6.017542806e+01 6.017542806e+01 1.76 5.552181789e+01 5.552181789e+01 1.78 5.120316205e+01 5.120316205e+01 1.80 4.719428315e+01 4.719428315e+01 1.82 4.347183618e+01 4.347183618e+01 1.84 4.001439318e+01 4.001439318e+01 1.86 3.680249467e+01 3.680249467e+01 1.88 3.381858833e+01 3.381858833e+01 1.90 3.104684267e+01 3.104684267e+01 1.92 2.847287033e+01 2.847287033e+01 1.94 2.608343458e+01 2.608343458e+01 1.96 2.386620703e+01 2.386620703e+01 1.98 2.180961053e+01 2.180961053e+01 2.00 1.990273338e+01 1.990273338e+01 2.02 1.813527891e+01 1.813527891e+01 2.04 1.649752300e+01 1.649752300e+01 2.06 1.498026723e+01 1.498026723e+01 2.08 1.357479360e+01 1.357479360e+01 2.10 1.227283981e+01 1.227283981e+01 2.12 1.106660530e+01 1.106660530e+01 2.14 9.948786142e+00 9.948786142e+00 2.16 8.912621645e+00 8.912621645e+00 2.18 7.951926899e+00 7.951926899e+00 2.20 7.061098264e+00 7.061098264e+00 2.22 6.235084603e+00 6.235084603e+00 2.24 5.469336736e+00 5.469336736e+00 2.26 4.759746192e+00 4.759746192e+00 2.28 4.102581222e+00 4.102581222e+00 2.30 3.494467109e+00 3.494467109e+00 2.32 2.932390402e+00 2.932390402e+00 2.34 2.413273257e+00 2.413273257e+00 2.36 1.934231527e+00 1.934231527e+00 2.38 1.492581618e+00 1.492581618e+00 2.40 1.085808718e+00 1.085808718e+00 2.42 7.115441753e-01 7.115441753e-01 2.44 3.675519937e-01 3.675519937e-01 2.46 5.178703501e-02 5.178703501e-02 2.48 -2.375040204e-01 -2.375040204e-01 2.50 -5.019827534e-01 -5.019827534e-01 2.52 -7.432497657e-01 -7.432497657e-01 2.54 -9.628355232e-01 -9.628355232e-01 2.56 -1.162194470e+00 -1.162194470e+00 2.58 -1.342701950e+00 -1.342701950e+00 2.60 -1.505653053e+00 -1.505653053e+00 2.62 -1.652261831e+00 -1.652261831e+00 2.64 -1.783662058e+00 -1.783662058e+00 2.66 -1.900904386e+00 -1.900904386e+00 2.68 -2.004958791e+00 -2.004958791e+00 2.70 -2.096717547e+00 -2.096717547e+00 2.72 -2.177001581e+00 -2.177001581e+00 2.74 -2.246568733e+00 -2.246568733e+00 2.76 -2.306122413e+00 -2.306122413e+00 2.78 -2.356327643e+00 -2.356327643e+00 2.80 -2.397933559e+00 -2.397933559e+00 2.82 -2.431416660e+00 -2.431416660e+00 2.84 -2.457151374e+00 -2.457151374e+00 2.86 -2.475511849e+00 -2.475511849e+00 2.88 -2.486876520e+00 -2.486876520e+00 2.90 -2.491633957e+00 -2.491633957e+00 2.92 -2.490198089e+00 -2.490198089e+00 2.94 -2.483023776e+00 -2.483023776e+00 2.96 -2.470588414e+00 -2.470588414e+00 2.98 -2.453388259e+00 -2.453388259e+00 3.00 -2.431934267e+00 -2.431934267e+00 3.02 -2.406744125e+00 -2.406744125e+00 3.04 -2.378330765e+00 -2.378330765e+00 3.06 -2.347190146e+00 -2.347190146e+00 3.08 -2.313785752e+00 -2.313785752e+00 3.10 -2.278537420e+00 -2.278537420e+00 3.12 -2.241811138e+00 -2.241811138e+00 3.14 -2.203915914e+00 -2.203915914e+00 3.16 -2.165100315e+00 -2.165100315e+00 3.18 -2.125558966e+00 -2.125558966e+00 3.20 -2.085439742e+00 -2.085439742e+00 3.22 -2.044853788e+00 -2.044853788e+00 3.24 -2.003900837e+00 -2.003900837e+00 3.26 -1.962689456e+00 -1.962689456e+00 3.28 -1.921220017e+00 -1.921220017e+00 3.30 -1.879490234e+00 -1.879490234e+00 3.32 -1.837511405e+00 -1.837511405e+00 3.34 -1.795311085e+00 -1.795311085e+00 3.36 -1.752929138e+00 -1.752929138e+00 3.38 -1.710304254e+00 -1.710304254e+00 3.40 -1.667295320e+00 -1.667295320e+00 3.42 -1.623818716e+00 -1.623818716e+00 3.44 -1.579855254e+00 -1.579855254e+00 3.46 -1.535448953e+00 -1.535448953e+00 3.48 -1.490701542e+00 -1.490701542e+00 3.50 -1.445763152e+00 -1.445763152e+00 3.52 -1.400819828e+00 -1.400819828e+00 3.54 -1.356079123e+00 -1.356079123e+00 3.56 -1.311755330e+00 -1.311755330e+00 3.58 -1.268055865e+00 -1.268055865e+00 3.60 -1.225169988e+00 -1.225169988e+00 3.62 -1.183260600e+00 -1.183260600e+00 3.64 -1.142459341e+00 -1.142459341e+00 3.66 -1.102864789e+00 -1.102864789e+00 3.68 -1.064543253e+00 -1.064543253e+00 3.70 -1.027531522e+00 -1.027531522e+00 3.72 -9.918408671e-01 -9.918408671e-01 3.74 -9.574616972e-01 -9.574616972e-01 3.76 -9.243683482e-01 -9.243683482e-01 3.78 -8.925236242e-01 -8.925236242e-01 3.80 -8.618828248e-01 -8.618828248e-01 3.82 -8.323970844e-01 -8.323970844e-01 3.84 -8.040159432e-01 -8.040159432e-01 3.86 -7.766891367e-01 -7.766891367e-01 3.88 -7.503676695e-01 -7.503676695e-01 3.90 -7.250042954e-01 -7.250042954e-01 3.92 -7.005533669e-01 -7.005533669e-01 3.94 -6.769715686e-01 -6.769715686e-01 3.96 -6.542162712e-01 -6.542162712e-01 3.98 -6.322463845e-01 -6.322463845e-01 4.00 -6.110220617e-01 -6.110220617e-01 4.02 -5.905048050e-01 -5.905048050e-01 4.04 -5.706576685e-01 -5.706576685e-01 4.06 -5.514455127e-01 -5.514455127e-01 4.08 -5.328352685e-01 -5.328352685e-01 4.10 -5.147955246e-01 -5.147955246e-01 4.12 -4.972995142e-01 -4.972995142e-01 4.14 -4.803209190e-01 -4.803209190e-01 4.16 -4.638371231e-01 -4.638371231e-01 4.18 -4.478285101e-01 -4.478285101e-01 4.20 -4.322785456e-01 -4.322785456e-01 4.22 -4.171738006e-01 -4.171738006e-01 4.24 -4.025038914e-01 -4.025038914e-01 4.26 -3.882613068e-01 -3.882613068e-01 4.28 -3.744411005e-01 -3.744411005e-01 4.30 -3.610404364e-01 -3.610404364e-01 4.32 -3.480579924e-01 -3.480579924e-01 4.34 -3.354932525e-01 -3.354932525e-01 4.36 -3.233457386e-01 -3.233457386e-01 4.38 -3.116142490e-01 -3.116142490e-01 4.40 -3.002961775e-01 -3.002961775e-01 4.42 -2.893869785e-01 -2.893869785e-01 4.44 -2.788798228e-01 -2.788798228e-01 4.46 -2.687654638e-01 -2.687654638e-01 4.48 -2.590323041e-01 -2.590323041e-01 4.50 -2.496666298e-01 -2.496666298e-01 4.52 -2.406529632e-01 -2.406529632e-01 4.54 -2.319744843e-01 -2.319744843e-01 4.56 -2.236134700e-01 -2.236134700e-01 4.58 -2.155517160e-01 -2.155517160e-01 4.60 -2.077709139e-01 -2.077709139e-01 4.62 -2.002529726e-01 -2.002529726e-01 4.64 -1.929802819e-01 -1.929802819e-01 4.66 -1.859359230e-01 -1.859359230e-01 4.68 -1.791038376e-01 -1.791038376e-01 4.70 -1.724689656e-01 -1.724689656e-01 4.72 -1.660173649e-01 -1.660173649e-01 4.74 -1.597363224e-01 -1.597363224e-01 4.76 -1.536144630e-01 -1.536144630e-01 4.78 -1.476418599e-01 -1.476418599e-01 4.80 -1.418097499e-01 -1.418097499e-01 4.82 -1.361122994e-01 -1.361122994e-01 4.84 -1.305440963e-01 -1.305440963e-01 4.86 -1.251020467e-01 -1.251020467e-01 4.88 -1.197849252e-01 -1.197849252e-01 4.90 -1.145933504e-01 -1.145933504e-01 4.92 -1.095296913e-01 -1.095296913e-01 4.94 -1.045978895e-01 -1.045978895e-01 4.96 -9.980319502e-02 -9.980319502e-02 4.98 -9.515181744e-02 -9.515181744e-02 5.00 -9.065050724e-02 -9.065050724e-02 5.02 -8.630609204e-02 -8.630609204e-02 5.04 -8.212500046e-02 -8.212500046e-02 5.06 -7.811279045e-02 -7.811279045e-02 5.08 -7.427376027e-02 -7.427376027e-02 5.10 -7.061064057e-02 -7.061064057e-02 5.12 -6.712439542e-02 -6.712439542e-02 5.14 -6.381414352e-02 -6.381414352e-02 5.16 -6.067719641e-02 -6.067719641e-02 5.18 -5.770918583e-02 -5.770918583e-02 5.20 -5.490355248e-02 -5.490355248e-02 5.22 -5.225330129e-02 -5.225330129e-02 5.24 -4.975104323e-02 -4.975104323e-02 5.26 -4.738869534e-02 -4.738869534e-02 5.28 -4.515781323e-02 -4.515781323e-02 5.30 -4.304988708e-02 -4.304988708e-02 5.32 -4.105659169e-02 -4.105659169e-02 5.34 -3.916998553e-02 -3.916998553e-02 5.36 -3.738265795e-02 -3.738265795e-02 5.38 -3.568782469e-02 -3.568782469e-02 5.40 -3.407937674e-02 -3.407937674e-02 5.42 -3.255188629e-02 -3.255188629e-02 5.44 -3.110057548e-02 -3.110057548e-02 5.46 -2.972125482e-02 -2.972125482e-02 5.48 -2.841023945e-02 -2.841023945e-02 5.50 -2.716425179e-02 -2.716425179e-02 5.52 -2.598031974e-02 -2.598031974e-02 5.54 -2.485567884e-02 -2.485567884e-02 5.56 -2.378768603e-02 -2.378768603e-02 5.58 -2.277375031e-02 -2.277375031e-02 5.60 -2.181128351e-02 -2.181128351e-02 5.62 -2.089767158e-02 -2.089767158e-02 5.64 -2.003026490e-02 -2.003026490e-02 5.66 -1.920638407e-02 -1.920638407e-02 5.68 -1.842333696e-02 -1.842333696e-02 5.70 -1.767844247e-02 -1.767844247e-02 5.72 -1.696905690e-02 -1.696905690e-02 5.74 -1.629259902e-02 -1.629259902e-02 5.76 -1.564653647e-02 -1.564653647e-02 5.78 -1.502846287e-02 -1.502846287e-02 5.80 -1.443611350e-02 -1.443611350e-02 5.82 -1.386734717e-02 -1.386734717e-02 5.84 -1.332015032e-02 -1.332015032e-02 5.86 -1.279263784e-02 -1.279263784e-02 5.88 -1.228305139e-02 -1.228305139e-02 5.90 -1.178975627e-02 -1.178975627e-02 5.92 -1.131123776e-02 -1.131123776e-02 5.94 -1.084609768e-02 -1.084609768e-02 5.96 -1.039305176e-02 -1.039305176e-02 5.98 -9.950928486e-03 -9.950928486e-03 6.00 -9.518669568e-03 -9.518669568e-03