# 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 = Au2CoFe # 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 2.599618038e+02 2.599618038e+02 1.30 2.395876378e+02 2.395876378e+02 1.32 2.207918011e+02 2.207918011e+02 1.34 2.034464171e+02 2.034464171e+02 1.36 1.874343472e+02 1.874343472e+02 1.38 1.726476064e+02 1.726476064e+02 1.40 1.589867759e+02 1.589867759e+02 1.42 1.463607293e+02 1.463607293e+02 1.44 1.346863975e+02 1.346863975e+02 1.46 1.238883654e+02 1.238883654e+02 1.48 1.138980252e+02 1.138980252e+02 1.50 1.046524826e+02 1.046524826e+02 1.52 9.609372582e+01 9.609372582e+01 1.54 8.816813350e+01 8.816813350e+01 1.56 8.082606054e+01 8.082606054e+01 1.58 7.402145869e+01 7.402145869e+01 1.60 6.771166561e+01 6.771166561e+01 1.62 6.185739288e+01 6.185739288e+01 1.64 5.642279841e+01 5.642279841e+01 1.66 5.137550597e+01 5.137550597e+01 1.68 4.668649422e+01 4.668649422e+01 1.70 4.233954504e+01 4.233954504e+01 1.72 3.833364764e+01 3.833364764e+01 1.74 3.464601201e+01 3.464601201e+01 1.76 3.125385256e+01 3.125385256e+01 1.78 2.813564291e+01 2.813564291e+01 1.80 2.527087363e+01 2.527087363e+01 1.82 2.263999378e+01 2.263999378e+01 1.84 2.022452978e+01 2.022452978e+01 1.86 1.800726471e+01 1.800726471e+01 1.88 1.597236269e+01 1.597236269e+01 1.90 1.410537435e+01 1.410537435e+01 1.92 1.239312350e+01 1.239312350e+01 1.94 1.082351937e+01 1.082351937e+01 1.96 9.385353362e+00 9.385353362e+00 1.98 8.068135356e+00 8.068135356e+00 2.00 6.862009406e+00 6.862009406e+00 2.02 5.757759753e+00 5.757759753e+00 2.04 4.746875808e+00 4.746875808e+00 2.06 3.821615651e+00 3.821615651e+00 2.08 2.975018440e+00 2.975018440e+00 2.10 2.200854615e+00 2.200854615e+00 2.12 1.493534699e+00 1.493534699e+00 2.14 8.480062087e-01 8.480062087e-01 2.16 2.596607337e-01 2.596607337e-01 2.18 -2.757384065e-01 -2.757384065e-01 2.20 -7.621070802e-01 -7.621070802e-01 2.22 -1.203074507e+00 -1.203074507e+00 2.24 -1.602006804e+00 -1.602006804e+00 2.26 -1.962024921e+00 -1.962024921e+00 2.28 -2.286020097e+00 -2.286020097e+00 2.30 -2.576668446e+00 -2.576668446e+00 2.32 -2.836445242e+00 -2.836445242e+00 2.34 -3.067639047e+00 -3.067639047e+00 2.36 -3.272365823e+00 -3.272365823e+00 2.38 -3.452583349e+00 -3.452583349e+00 2.40 -3.610106370e+00 -3.610106370e+00 2.42 -3.746622709e+00 -3.746622709e+00 2.44 -3.863710116e+00 -3.863710116e+00 2.46 -3.962853026e+00 -3.962853026e+00 2.48 -4.045457983e+00 -4.045457983e+00 2.50 -4.112866999e+00 -4.112866999e+00 2.52 -4.166412089e+00 -4.166412089e+00 2.54 -4.207321014e+00 -4.207321014e+00 2.56 -4.236737953e+00 -4.236737953e+00 2.58 -4.255789185e+00 -4.255789185e+00 2.60 -4.265736703e+00 -4.265736703e+00 2.62 -4.267503364e+00 -4.267503364e+00 2.64 -4.261842210e+00 -4.261842210e+00 2.66 -4.249443558e+00 -4.249443558e+00 2.68 -4.230848668e+00 -4.230848668e+00 2.70 -4.206504582e+00 -4.206504582e+00 2.72 -4.176802311e+00 -4.176802311e+00 2.74 -4.142081421e+00 -4.142081421e+00 2.76 -4.102634174e+00 -4.102634174e+00 2.78 -4.058738032e+00 -4.058738032e+00 2.80 -4.010669854e+00 -4.010669854e+00 2.82 -3.958708432e+00 -3.958708432e+00 2.84 -3.903066650e+00 -3.903066650e+00 2.86 -3.843913198e+00 -3.843913198e+00 2.88 -3.781448449e+00 -3.781448449e+00 2.90 -3.715899175e+00 -3.715899175e+00 2.92 -3.647511531e+00 -3.647511531e+00 2.94 -3.576546540e+00 -3.576546540e+00 2.96 -3.503278233e+00 -3.503278233e+00 2.98 -3.427993767e+00 -3.427993767e+00 3.00 -3.350994084e+00 -3.350994084e+00 3.02 -3.272593133e+00 -3.272593133e+00 3.04 -3.193113867e+00 -3.193113867e+00 3.06 -3.112880255e+00 -3.112880255e+00 3.08 -3.032206179e+00 -3.032206179e+00 3.10 -2.951383671e+00 -2.951383671e+00 3.12 -2.870673561e+00 -2.870673561e+00 3.14 -2.790300991e+00 -2.790300991e+00 3.16 -2.710456638e+00 -2.710456638e+00 3.18 -2.631302769e+00 -2.631302769e+00 3.20 -2.552981991e+00 -2.552981991e+00 3.22 -2.475626287e+00 -2.475626287e+00 3.24 -2.399364264e+00 -2.399364264e+00 3.26 -2.324325395e+00 -2.324325395e+00 3.28 -2.250640872e+00 -2.250640872e+00 3.30 -2.178441420e+00 -2.178441420e+00 3.32 -2.107852930e+00 -2.107852930e+00 3.34 -2.038991008e+00 -2.038991008e+00 3.36 -1.971955550e+00 -1.971955550e+00 3.38 -1.906826253e+00 -1.906826253e+00 3.40 -1.843659689e+00 -1.843659689e+00 3.42 -1.782488195e+00 -1.782488195e+00 3.44 -1.723320510e+00 -1.723320510e+00 3.46 -1.666143851e+00 -1.666143851e+00 3.48 -1.610926972e+00 -1.610926972e+00 3.50 -1.557623745e+00 -1.557623745e+00 3.52 -1.506176815e+00 -1.506176815e+00 3.54 -1.456521048e+00 -1.456521048e+00 3.56 -1.408586526e+00 -1.408586526e+00 3.58 -1.362301031e+00 -1.362301031e+00 3.60 -1.317591981e+00 -1.317591981e+00 3.62 -1.274387883e+00 -1.274387883e+00 3.64 -1.232619361e+00 -1.232619361e+00 3.66 -1.192219861e+00 -1.192219861e+00 3.68 -1.153126108e+00 -1.153126108e+00 3.70 -1.115278364e+00 -1.115278364e+00 3.72 -1.078620559e+00 -1.078620559e+00 3.74 -1.043100294e+00 -1.043100294e+00 3.76 -1.008668761e+00 -1.008668761e+00 3.78 -9.752805593e-01 -9.752805593e-01 3.80 -9.428934552e-01 -9.428934552e-01 3.82 -9.114680606e-01 -9.114680606e-01 3.84 -8.809674761e-01 -8.809674761e-01 3.86 -8.513569051e-01 -8.513569051e-01 3.88 -8.226032670e-01 -8.226032670e-01 3.90 -7.946748285e-01 -7.946748285e-01 3.92 -7.675408724e-01 -7.675408724e-01 3.94 -7.411714223e-01 -7.411714223e-01 3.96 -7.155370270e-01 -7.155370270e-01 3.98 -6.906086287e-01 -6.906086287e-01 4.00 -6.663575155e-01 -6.663575155e-01 4.02 -6.427553724e-01 -6.427553724e-01 4.04 -6.197744438e-01 -6.197744438e-01 4.06 -5.973878151e-01 -5.973878151e-01 4.08 -5.755698226e-01 -5.755698226e-01 4.10 -5.542965918e-01 -5.542965918e-01 4.12 -5.335467033e-01 -5.335467033e-01 4.14 -5.133019329e-01 -5.133019329e-01 4.16 -4.935480553e-01 -4.935480553e-01 4.18 -4.742756059e-01 -4.742756059e-01 4.20 -4.554805103e-01 -4.554805103e-01 4.22 -4.371644594e-01 -4.371644594e-01 4.24 -4.193349009e-01 -4.193349009e-01 4.26 -4.020045443e-01 -4.020045443e-01 4.28 -3.851903194e-01 -3.851903194e-01 4.30 -3.689118108e-01 -3.689118108e-01 4.32 -3.531892793e-01 -3.531892793e-01 4.34 -3.380414680e-01 -3.380414680e-01 4.36 -3.234834458e-01 -3.234834458e-01 4.38 -3.095247476e-01 -3.095247476e-01 4.40 -2.961680244e-01 -2.961680244e-01 4.42 -2.834083288e-01 -2.834083288e-01 4.44 -2.712330578e-01 -2.712330578e-01 4.46 -2.596224790e-01 -2.596224790e-01 4.48 -2.485506985e-01 -2.485506985e-01 4.50 -2.379869004e-01 -2.379869004e-01 4.52 -2.278966897e-01 -2.278966897e-01 4.54 -2.182434037e-01 -2.182434037e-01 4.56 -2.089892944e-01 -2.089892944e-01 4.58 -2.000965310e-01 -2.000965310e-01 4.60 -1.915280079e-01 -1.915280079e-01 4.62 -1.832479704e-01 -1.832479704e-01 4.64 -1.752224914e-01 -1.752224914e-01 4.66 -1.674198373e-01 -1.674198373e-01 4.68 -1.598107657e-01 -1.598107657e-01 4.70 -1.523687930e-01 -1.523687930e-01 4.72 -1.450704626e-01 -1.450704626e-01 4.74 -1.378956350e-01 -1.378956350e-01 4.76 -1.308278101e-01 -1.308278101e-01 4.78 -1.238544766e-01 -1.238544766e-01 4.80 -1.169674709e-01 -1.169674709e-01 4.82 -1.101633183e-01 -1.101633183e-01 4.84 -1.034434971e-01 -1.034434971e-01 4.86 -9.681458928e-02 -9.681458928e-02 4.88 -9.028824297e-02 -9.028824297e-02 4.90 -8.388089804e-02 -8.388089804e-02 4.92 -7.761323289e-02 -7.761323289e-02 4.94 -7.150931836e-02 -7.150931836e-02 4.96 -6.559537998e-02 -6.559537998e-02 4.98 -5.989852840e-02 -5.989852840e-02 5.00 -5.444566935e-02 -5.444566935e-02 5.02 -4.926171612e-02 -4.926171612e-02 5.04 -4.436824408e-02 -4.436824408e-02 5.06 -3.978239664e-02 -3.978239664e-02 5.08 -3.551611723e-02 -3.551611723e-02 5.10 -3.157575346e-02 -3.157575346e-02 5.12 -2.796203079e-02 -2.796203079e-02 5.14 -2.467036151e-02 -2.467036151e-02 5.16 -2.169142246e-02 -2.169142246e-02 5.18 -1.901191440e-02 -1.901191440e-02 5.20 -1.661538347e-02 -1.661538347e-02 5.22 -1.448270917e-02 -1.448270917e-02 5.24 -1.259402977e-02 -1.259402977e-02 5.26 -1.092891495e-02 -1.092891495e-02 5.28 -9.466781927e-03 -9.466781927e-03 5.30 -8.187456871e-03 -8.187456871e-03 5.32 -7.071598267e-03 -7.071598267e-03 5.34 -6.100994619e-03 -6.100994619e-03 5.36 -5.258753861e-03 -5.258753861e-03 5.38 -4.529403759e-03 -4.529403759e-03 5.40 -3.898922445e-03 -3.898922445e-03 5.42 -3.354716567e-03 -3.354716567e-03 5.44 -2.885562231e-03 -2.885562231e-03 5.46 -2.481521317e-03 -2.481521317e-03 5.48 -2.133843132e-03 -2.133843132e-03 5.50 -1.834859099e-03 -1.834859099e-03 5.52 -1.577876090e-03 -1.577876090e-03 5.54 -1.357072415e-03 -1.357072415e-03 5.56 -1.167399092e-03 -1.167399092e-03 5.58 -1.004488030e-03 -1.004488030e-03 5.60 -8.645679965e-04 -8.645679965e-04 5.62 -7.443886510e-04 -7.443886510e-04 5.64 -6.411525726e-04 -6.411525726e-04 5.66 -5.524549398e-04 -5.524549398e-04 5.68 -4.762303610e-04 -4.762303610e-04 5.70 -4.107062713e-04 -4.107062713e-04 5.72 -3.543622754e-04 -3.543622754e-04 5.74 -3.058948146e-04 -3.058948146e-04 5.76 -2.641865598e-04 -2.641865598e-04 5.78 -2.282799706e-04 -2.282799706e-04 5.80 -1.973545026e-04 -1.973545026e-04 5.82 -1.707069988e-04 -1.707069988e-04 5.84 -1.477348416e-04 -1.477348416e-04 5.86 -1.279214992e-04 -1.279214992e-04 5.88 -1.108241341e-04 -1.108241341e-04 5.90 -9.606299148e-05 -9.606299148e-05 5.92 -8.331231443e-05 -8.331231443e-05 5.94 -7.229257179e-05 -7.229257179e-05 5.96 -6.276380986e-05 -6.276380986e-05 5.98 -5.451996721e-05 -5.451996721e-05 6.00 -4.738401334e-05 -4.738401334e-05