# 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 = AlPd2W # 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 3.054441926e+02 3.054441926e+02 1.30 2.835860052e+02 2.835860052e+02 1.32 2.632950784e+02 2.632950784e+02 1.34 2.444510565e+02 2.444510565e+02 1.36 2.269480976e+02 2.269480976e+02 1.38 2.106903545e+02 2.106903545e+02 1.40 1.955882367e+02 1.955882367e+02 1.42 1.815561701e+02 1.815561701e+02 1.44 1.685123438e+02 1.685123438e+02 1.46 1.563799730e+02 1.563799730e+02 1.48 1.450884626e+02 1.450884626e+02 1.50 1.345732766e+02 1.345732766e+02 1.52 1.247749324e+02 1.247749324e+02 1.54 1.156382285e+02 1.156382285e+02 1.56 1.071120516e+02 1.071120516e+02 1.58 9.914937590e+01 9.914937590e+01 1.60 9.170719744e+01 9.170719744e+01 1.62 8.474646908e+01 8.474646908e+01 1.64 7.823208835e+01 7.823208835e+01 1.66 7.213277924e+01 7.213277924e+01 1.68 6.642067368e+01 6.642067368e+01 1.70 6.107060823e+01 6.107060823e+01 1.72 5.605965425e+01 5.605965425e+01 1.74 5.136669023e+01 5.136669023e+01 1.76 4.697173802e+01 4.697173802e+01 1.78 4.285903926e+01 4.285903926e+01 1.80 3.904129807e+01 3.904129807e+01 1.82 3.551026736e+01 3.551026736e+01 1.84 3.224816304e+01 3.224816304e+01 1.86 2.923769022e+01 2.923769022e+01 1.88 2.646168000e+01 2.646168000e+01 1.90 2.390299842e+01 2.390299842e+01 1.92 2.154477772e+01 2.154477772e+01 1.94 1.937084441e+01 1.937084441e+01 1.96 1.736614996e+01 1.736614996e+01 1.98 1.551703225e+01 1.551703225e+01 2.00 1.381123379e+01 1.381123379e+01 2.02 1.223771969e+01 1.223771969e+01 2.04 1.078641054e+01 1.078641054e+01 2.06 9.447941111e+00 9.447941111e+00 2.08 8.213502244e+00 8.213502244e+00 2.10 7.074772355e+00 7.074772355e+00 2.12 6.023920049e+00 6.023920049e+00 2.14 5.053652269e+00 5.053652269e+00 2.16 4.157279837e+00 4.157279837e+00 2.18 3.328772768e+00 3.328772768e+00 2.20 2.562783970e+00 2.562783970e+00 2.22 1.854631348e+00 1.854631348e+00 2.24 1.200241132e+00 1.200241132e+00 2.26 5.960646031e-01 5.960646031e-01 2.28 3.898377402e-02 3.898377402e-02 2.30 -4.737806536e-01 -4.737806536e-01 2.32 -9.446794988e-01 -9.446794988e-01 2.34 -1.376057265e+00 -1.376057265e+00 2.36 -1.770211212e+00 -1.770211212e+00 2.38 -2.129332329e+00 -2.129332329e+00 2.40 -2.455546443e+00 -2.455546443e+00 2.42 -2.750943348e+00 -2.750943348e+00 2.44 -3.017594031e+00 -3.017594031e+00 2.46 -3.257552653e+00 -3.257552653e+00 2.48 -3.472712361e+00 -3.472712361e+00 2.50 -3.664735481e+00 -3.664735481e+00 2.52 -3.835259780e+00 -3.835259780e+00 2.54 -3.985877943e+00 -3.985877943e+00 2.56 -4.118100896e+00 -4.118100896e+00 2.58 -4.233335730e+00 -4.233335730e+00 2.60 -4.332878975e+00 -4.332878975e+00 2.62 -4.417919201e+00 -4.417919201e+00 2.64 -4.489541083e+00 -4.489541083e+00 2.66 -4.548726718e+00 -4.548726718e+00 2.68 -4.596355508e+00 -4.596355508e+00 2.70 -4.633206536e+00 -4.633206536e+00 2.72 -4.659966380e+00 -4.659966380e+00 2.74 -4.677242339e+00 -4.677242339e+00 2.76 -4.685578754e+00 -4.685578754e+00 2.78 -4.685891782e+00 -4.685891782e+00 2.80 -4.679631339e+00 -4.679631339e+00 2.82 -4.667127587e+00 -4.667127587e+00 2.84 -4.648159284e+00 -4.648159284e+00 2.86 -4.622602484e+00 -4.622602484e+00 2.88 -4.590424362e+00 -4.590424362e+00 2.90 -4.551678345e+00 -4.551678345e+00 2.92 -4.506521700e+00 -4.506521700e+00 2.94 -4.455216785e+00 -4.455216785e+00 2.96 -4.398096285e+00 -4.398096285e+00 2.98 -4.335600456e+00 -4.335600456e+00 3.00 -4.268259133e+00 -4.268259133e+00 3.02 -4.196628970e+00 -4.196628970e+00 3.04 -4.121283594e+00 -4.121283594e+00 3.06 -4.042802199e+00 -4.042802199e+00 3.08 -3.961753342e+00 -3.961753342e+00 3.10 -3.878675194e+00 -3.878675194e+00 3.12 -3.794055067e+00 -3.794055067e+00 3.14 -3.708312293e+00 -3.708312293e+00 3.16 -3.621787815e+00 -3.621787815e+00 3.18 -3.534742355e+00 -3.534742355e+00 3.20 -3.447362747e+00 -3.447362747e+00 3.22 -3.359774583e+00 -3.359774583e+00 3.24 -3.272058608e+00 -3.272058608e+00 3.26 -3.184268379e+00 -3.184268379e+00 3.28 -3.096447306e+00 -3.096447306e+00 3.30 -3.008643814e+00 -3.008643814e+00 3.32 -2.920923909e+00 -2.920923909e+00 3.34 -2.833380734e+00 -2.833380734e+00 3.36 -2.746140886e+00 -2.746140886e+00 3.38 -2.659367334e+00 -2.659367334e+00 3.40 -2.573258861e+00 -2.573258861e+00 3.42 -2.488046112e+00 -2.488046112e+00 3.44 -2.403984451e+00 -2.403984451e+00 3.46 -2.321344227e+00 -2.321344227e+00 3.48 -2.240399162e+00 -2.240399162e+00 3.50 -2.161413922e+00 -2.161413922e+00 3.52 -2.084631985e+00 -2.084631985e+00 3.54 -2.010264897e+00 -2.010264897e+00 3.56 -1.938483842e+00 -1.938483842e+00 3.58 -1.869414106e+00 -1.869414106e+00 3.60 -1.803132692e+00 -1.803132692e+00 3.62 -1.739668907e+00 -1.739668907e+00 3.64 -1.679007525e+00 -1.679007525e+00 3.66 -1.621093857e+00 -1.621093857e+00 3.68 -1.565840055e+00 -1.565840055e+00 3.70 -1.513131960e+00 -1.513131960e+00 3.72 -1.462835939e+00 -1.462835939e+00 3.74 -1.414805275e+00 -1.414805275e+00 3.76 -1.368885844e+00 -1.368885844e+00 3.78 -1.324920928e+00 -1.324920928e+00 3.80 -1.282755136e+00 -1.282755136e+00 3.82 -1.242237472e+00 -1.242237472e+00 3.84 -1.203223637e+00 -1.203223637e+00 3.86 -1.165577687e+00 -1.165577687e+00 3.88 -1.129173164e+00 -1.129173164e+00 3.90 -1.093893834e+00 -1.093893834e+00 3.92 -1.059634126e+00 -1.059634126e+00 3.94 -1.026299418e+00 -1.026299418e+00 3.96 -9.938061407e-01 -9.938061407e-01 3.98 -9.620818662e-01 -9.620818662e-01 4.00 -9.310653091e-01 -9.310653091e-01 4.02 -9.007062482e-01 -9.007062482e-01 4.04 -8.709653209e-01 -8.709653209e-01 4.06 -8.418136270e-01 -8.418136270e-01 4.08 -8.132320797e-01 -8.132320797e-01 4.10 -7.852104613e-01 -7.852104613e-01 4.12 -7.577462490e-01 -7.577462490e-01 4.14 -7.308431346e-01 -7.308431346e-01 4.16 -7.045095568e-01 -7.045095568e-01 4.18 -6.787572404e-01 -6.787572404e-01 4.20 -6.535999422e-01 -6.535999422e-01 4.22 -6.290524755e-01 -6.290524755e-01 4.24 -6.051300107e-01 -6.051300107e-01 4.26 -5.818475638e-01 -5.818475638e-01 4.28 -5.592195228e-01 -5.592195228e-01 4.30 -5.372590519e-01 -5.372590519e-01 4.32 -5.159772593e-01 -5.159772593e-01 4.34 -4.953821018e-01 -4.953821018e-01 4.36 -4.754771059e-01 -4.754771059e-01 4.38 -4.562600697e-01 -4.562600697e-01 4.40 -4.377219557e-01 -4.377219557e-01 4.42 -4.198461737e-01 -4.198461737e-01 4.44 -4.026083945e-01 -4.026083945e-01 4.46 -3.859769557e-01 -3.859769557e-01 4.48 -3.699138268e-01 -3.699138268e-01 4.50 -3.543760403e-01 -3.543760403e-01 4.52 -3.393174466e-01 -3.393174466e-01 4.54 -3.246906448e-01 -3.246906448e-01 4.56 -3.104489506e-01 -3.104489506e-01 4.58 -2.965482830e-01 -2.965482830e-01 4.60 -2.829488812e-01 -2.829488812e-01 4.62 -2.696167791e-01 -2.696167791e-01 4.64 -2.565249815e-01 -2.565249815e-01 4.66 -2.436542940e-01 -2.436542940e-01 4.68 -2.309937654e-01 -2.309937654e-01 4.70 -2.185407124e-01 -2.185407124e-01 4.72 -2.063003160e-01 -2.063003160e-01 4.74 -1.942848049e-01 -1.942848049e-01 4.76 -1.825122788e-01 -1.825122788e-01 4.78 -1.710052628e-01 -1.710052628e-01 4.80 -1.597891103e-01 -1.597891103e-01 4.82 -1.488904320e-01 -1.488904320e-01 4.84 -1.383355994e-01 -1.383355994e-01 4.86 -1.281495614e-01 -1.281495614e-01 4.88 -1.183549464e-01 -1.183549464e-01 4.90 -1.089715104e-01 -1.089715104e-01 4.92 -1.000158682e-01 -1.000158682e-01 4.94 -9.150144644e-02 -9.150144644e-02 4.96 -8.343854641e-02 -8.343854641e-02 4.98 -7.583444922e-02 -7.583444922e-02 5.00 -6.869347880e-02 -6.869347880e-02 5.02 -6.201698796e-02 -6.201698796e-02 5.04 -5.580302724e-02 -5.580302724e-02 5.06 -5.004653838e-02 -5.004653838e-02 5.08 -4.473978480e-02 -4.473978480e-02 5.10 -3.987160865e-02 -3.987160865e-02 5.12 -3.542757118e-02 -3.542757118e-02 5.14 -3.139024241e-02 -3.139024241e-02 5.16 -2.773959244e-02 -2.773959244e-02 5.18 -2.445348700e-02 -2.445348700e-02 5.20 -2.150823084e-02 -2.150823084e-02 5.22 -1.887913526e-02 -1.887913526e-02 5.24 -1.654108337e-02 -1.654108337e-02 5.26 -1.446903794e-02 -1.446903794e-02 5.28 -1.263833954e-02 -1.263833954e-02 5.30 -1.102550771e-02 -1.102550771e-02 5.32 -9.608307070e-03 -9.608307070e-03 5.34 -8.365863065e-03 -8.365863065e-03 5.36 -7.278808558e-03 -7.278808558e-03 5.38 -6.329358257e-03 -6.329358257e-03 5.40 -5.501324352e-03 -5.501324352e-03 5.42 -4.780086496e-03 -4.780086496e-03 5.44 -4.152528209e-03 -4.152528209e-03 5.46 -3.606950233e-03 -3.606950233e-03 5.48 -3.132969519e-03 -3.132969519e-03 5.50 -2.721410813e-03 -2.721410813e-03 5.52 -2.364196146e-03 -2.364196146e-03 5.54 -2.054236123e-03 -2.054236123e-03 5.56 -1.785325744e-03 -1.785325744e-03 5.58 -1.552046510e-03 -1.552046510e-03 5.60 -1.349675875e-03 -1.349675875e-03 5.62 -1.174104515e-03 -1.174104515e-03 5.64 -1.021761498e-03 -1.021761498e-03 5.66 -8.895471569e-04 -8.895471569e-04 5.68 -7.747732936e-04 -7.747732936e-04 5.70 -6.751101939e-04 -6.751101939e-04 5.72 -5.885399189e-04 -5.885399189e-04 5.74 -5.133152805e-04 -5.133152805e-04 5.76 -4.479239326e-04 -4.479239326e-04 5.78 -3.910570257e-04 -3.910570257e-04 5.80 -3.415819085e-04 -3.415819085e-04 5.82 -2.985183994e-04 -2.985183994e-04 5.84 -2.610181936e-04 -2.610181936e-04 5.86 -2.283470143e-04 -2.283470143e-04 5.88 -1.998691597e-04 -1.998691597e-04 5.90 -1.750341341e-04 -1.750341341e-04 5.92 -1.533650907e-04 -1.533650907e-04 5.94 -1.344488454e-04 -1.344488454e-04 5.96 -1.179272505e-04 -1.179272505e-04 5.98 -1.034897462e-04 -1.034897462e-04 6.00 -9.086692873e-05 -9.086692873e-05