# 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 = AlAuW2 # 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 3.387415339e+02 3.387415339e+02 1.30 3.139626474e+02 3.139626474e+02 1.32 2.910313838e+02 2.910313838e+02 1.34 2.697897160e+02 2.697897160e+02 1.36 2.500976164e+02 2.500976164e+02 1.38 2.318321581e+02 2.318321581e+02 1.40 2.148855092e+02 2.148855092e+02 1.42 1.991611770e+02 1.991611770e+02 1.44 1.845699615e+02 1.845699615e+02 1.46 1.710272314e+02 1.710272314e+02 1.48 1.584522188e+02 1.584522188e+02 1.50 1.467690741e+02 1.467690741e+02 1.52 1.359084685e+02 1.359084685e+02 1.54 1.258083330e+02 1.258083330e+02 1.56 1.164133139e+02 1.164133139e+02 1.58 1.076734774e+02 1.076734774e+02 1.60 9.954289088e+01 9.954289088e+01 1.62 9.197839277e+01 9.197839277e+01 1.64 8.493868795e+01 8.493868795e+01 1.66 7.838391394e+01 7.838391394e+01 1.68 7.227580743e+01 7.227580743e+01 1.70 6.657840458e+01 6.657840458e+01 1.72 6.125893738e+01 6.125893738e+01 1.74 5.628852418e+01 5.628852418e+01 1.76 5.164243831e+01 5.164243831e+01 1.78 4.729992980e+01 4.729992980e+01 1.80 4.324364501e+01 4.324364501e+01 1.82 3.945873919e+01 3.945873919e+01 1.84 3.593243597e+01 3.593243597e+01 1.86 3.265285479e+01 3.265285479e+01 1.88 2.960720595e+01 2.960720595e+01 1.90 2.678775559e+01 2.678775559e+01 1.92 2.418902390e+01 2.418902390e+01 1.94 2.179726352e+01 2.179726352e+01 1.96 1.959728208e+01 1.959728208e+01 1.98 1.757396361e+01 1.757396361e+01 2.00 1.571269401e+01 1.571269401e+01 2.02 1.399956191e+01 1.399956191e+01 2.04 1.242155368e+01 1.242155368e+01 2.06 1.096665344e+01 1.096665344e+01 2.08 9.623826215e+00 9.623826215e+00 2.10 8.382938497e+00 8.382938497e+00 2.12 7.234691334e+00 7.234691334e+00 2.14 6.170606554e+00 6.170606554e+00 2.16 5.183058714e+00 5.183058714e+00 2.18 4.265315232e+00 4.265315232e+00 2.20 3.411545228e+00 3.411545228e+00 2.22 2.616775240e+00 2.616775240e+00 2.24 1.876793290e+00 1.876793290e+00 2.26 1.188019746e+00 1.188019746e+00 2.28 5.473694908e-01 5.473694908e-01 2.30 -4.787386028e-02 -4.787386028e-02 2.32 -6.001594934e-01 -6.001594934e-01 2.34 -1.111743255e+00 -1.111743255e+00 2.36 -1.584736830e+00 -1.584736830e+00 2.38 -2.021137818e+00 -2.021137818e+00 2.40 -2.422846905e+00 -2.422846905e+00 2.42 -2.791677373e+00 -2.791677373e+00 2.44 -3.129361135e+00 -3.129361135e+00 2.46 -3.437525753e+00 -3.437525753e+00 2.48 -3.717609654e+00 -3.717609654e+00 2.50 -3.971274578e+00 -3.971274578e+00 2.52 -4.200174304e+00 -4.200174304e+00 2.54 -4.405919302e+00 -4.405919302e+00 2.56 -4.590091976e+00 -4.590091976e+00 2.58 -4.754250157e+00 -4.754250157e+00 2.60 -4.899914215e+00 -4.899914215e+00 2.62 -5.028482562e+00 -5.028482562e+00 2.64 -5.140761207e+00 -5.140761207e+00 2.66 -5.237269265e+00 -5.237269265e+00 2.68 -5.318524372e+00 -5.318524372e+00 2.70 -5.385022578e+00 -5.385022578e+00 2.72 -5.437231454e+00 -5.437231454e+00 2.74 -5.475595944e+00 -5.475595944e+00 2.76 -5.500551024e+00 -5.500551024e+00 2.78 -5.512535797e+00 -5.512535797e+00 2.80 -5.512006040e+00 -5.512006040e+00 2.82 -5.499444647e+00 -5.499444647e+00 2.84 -5.475371056e+00 -5.475371056e+00 2.86 -5.440350915e+00 -5.440350915e+00 2.88 -5.395006690e+00 -5.395006690e+00 2.90 -5.340028724e+00 -5.340028724e+00 2.92 -5.276185039e+00 -5.276185039e+00 2.94 -5.204327300e+00 -5.204327300e+00 2.96 -5.125389979e+00 -5.125389979e+00 2.98 -5.040743814e+00 -5.040743814e+00 3.00 -4.952056016e+00 -4.952056016e+00 3.02 -4.860044750e+00 -4.860044750e+00 3.04 -4.765400271e+00 -4.765400271e+00 3.06 -4.668805271e+00 -4.668805271e+00 3.08 -4.570888483e+00 -4.570888483e+00 3.10 -4.472185657e+00 -4.472185657e+00 3.12 -4.373113500e+00 -4.373113500e+00 3.14 -4.273972674e+00 -4.273972674e+00 3.16 -4.174928248e+00 -4.174928248e+00 3.18 -4.076007307e+00 -4.076007307e+00 3.20 -3.977125968e+00 -3.977125968e+00 3.22 -3.878115801e+00 -3.878115801e+00 3.24 -3.778752818e+00 -3.778752818e+00 3.26 -3.678786911e+00 -3.678786911e+00 3.28 -3.577970198e+00 -3.577970198e+00 3.30 -3.476083412e+00 -3.476083412e+00 3.32 -3.372959855e+00 -3.372959855e+00 3.34 -3.268506467e+00 -3.268506467e+00 3.36 -3.162721400e+00 -3.162721400e+00 3.38 -3.055707102e+00 -3.055707102e+00 3.40 -2.947677736e+00 -2.947677736e+00 3.42 -2.838959691e+00 -2.838959691e+00 3.44 -2.729984201e+00 -2.729984201e+00 3.46 -2.621271820e+00 -2.621271820e+00 3.48 -2.513409330e+00 -2.513409330e+00 3.50 -2.407020743e+00 -2.407020743e+00 3.52 -2.302734946e+00 -2.302734946e+00 3.54 -2.201153101e+00 -2.201153101e+00 3.56 -2.102818974e+00 -2.102818974e+00 3.58 -2.008194894e+00 -2.008194894e+00 3.60 -1.917645195e+00 -1.917645195e+00 3.62 -1.831427887e+00 -1.831427887e+00 3.64 -1.749694232e+00 -1.749694232e+00 3.66 -1.672495066e+00 -1.672495066e+00 3.68 -1.599792153e+00 -1.599792153e+00 3.70 -1.531472688e+00 -1.531472688e+00 3.72 -1.467365148e+00 -1.467365148e+00 3.74 -1.407255016e+00 -1.407255016e+00 3.76 -1.350899283e+00 -1.350899283e+00 3.78 -1.298039042e+00 -1.298039042e+00 3.80 -1.248409852e+00 -1.248409852e+00 3.82 -1.201749823e+00 -1.201749823e+00 3.84 -1.157805561e+00 -1.157805561e+00 3.86 -1.116336252e+00 -1.116336252e+00 3.88 -1.077116183e+00 -1.077116183e+00 3.90 -1.039936030e+00 -1.039936030e+00 3.92 -1.004603216e+00 -1.004603216e+00 3.94 -9.709416249e-01 -9.709416249e-01 3.96 -9.387908483e-01 -9.387908483e-01 3.98 -9.080052192e-01 -9.080052192e-01 4.00 -8.784527287e-01 -8.784527287e-01 4.02 -8.500139600e-01 -8.500139600e-01 4.04 -8.225811236e-01 -8.225811236e-01 4.06 -7.960572565e-01 -7.960572565e-01 4.08 -7.703556282e-01 -7.703556282e-01 4.10 -7.453993615e-01 -7.453993615e-01 4.12 -7.211213527e-01 -7.211213527e-01 4.14 -6.974642538e-01 -6.974642538e-01 4.16 -6.743807588e-01 -6.743807588e-01 4.18 -6.518338848e-01 -6.518338848e-01 4.20 -6.297972290e-01 -6.297972290e-01 4.22 -6.082550479e-01 -6.082550479e-01 4.24 -5.872020104e-01 -5.872020104e-01 4.26 -5.666424885e-01 -5.666424885e-01 4.28 -5.465892866e-01 -5.465892866e-01 4.30 -5.270617819e-01 -5.270617819e-01 4.32 -5.080835340e-01 -5.080835340e-01 4.34 -4.896795290e-01 -4.896795290e-01 4.36 -4.718732793e-01 -4.718732793e-01 4.38 -4.546840741e-01 -4.546840741e-01 4.40 -4.381246455e-01 -4.381246455e-01 4.42 -4.221994749e-01 -4.221994749e-01 4.44 -4.069038654e-01 -4.069038654e-01 4.46 -3.922237757e-01 -3.922237757e-01 4.48 -3.781362517e-01 -3.781362517e-01 4.50 -3.646104335e-01 -3.646104335e-01 4.52 -3.516094715e-01 -3.516094715e-01 4.54 -3.390915747e-01 -3.390915747e-01 4.56 -3.270115342e-01 -3.270115342e-01 4.58 -3.153221774e-01 -3.153221774e-01 4.60 -3.039756376e-01 -3.039756376e-01 4.62 -2.929243223e-01 -2.929243223e-01 4.64 -2.821218514e-01 -2.821218514e-01 4.66 -2.715242122e-01 -2.715242122e-01 4.68 -2.610899401e-01 -2.610899401e-01 4.70 -2.507807356e-01 -2.507807356e-01 4.72 -2.405620805e-01 -2.405620805e-01 4.74 -2.304038658e-01 -2.304038658e-01 4.76 -2.202810519e-01 -2.202810519e-01 4.78 -2.101743656e-01 -2.101743656e-01 4.80 -2.000710088e-01 -2.000710088e-01 4.82 -1.899653771e-01 -1.899653771e-01 4.84 -1.798596299e-01 -1.798596299e-01 4.86 -1.697641662e-01 -1.697641662e-01 4.88 -1.596978156e-01 -1.596978156e-01 4.90 -1.496876994e-01 -1.496876994e-01 4.92 -1.397686791e-01 -1.397686791e-01 4.94 -1.299823479e-01 -1.299823479e-01 4.96 -1.203755637e-01 -1.203755637e-01 4.98 -1.109985702e-01 -1.109985702e-01 5.00 -1.019028142e-01 -1.019028142e-01 5.02 -9.313860549e-02 -9.313860549e-02 5.04 -8.475280259e-02 -8.475280259e-02 5.06 -7.678670906e-02 -7.678670906e-02 5.08 -6.927434785e-02 -6.927434785e-02 5.10 -6.224123682e-02 -6.224123682e-02 5.12 -5.570373121e-02 -5.570373121e-02 5.14 -4.966893597e-02 -4.966893597e-02 5.16 -4.413513377e-02 -4.413513377e-02 5.18 -3.909263213e-02 -3.909263213e-02 5.20 -3.452490817e-02 -3.452490817e-02 5.22 -3.040992388e-02 -3.040992388e-02 5.24 -2.672149191e-02 -2.672149191e-02 5.26 -2.343059966e-02 -2.343059966e-02 5.28 -2.050661513e-02 -2.050661513e-02 5.30 -1.791832276e-02 -1.791832276e-02 5.32 -1.563443668e-02 -1.563443668e-02 5.34 -1.362507317e-02 -1.362507317e-02 5.36 -1.186196352e-02 -1.186196352e-02 5.38 -1.031849870e-02 -1.031849870e-02 5.40 -8.969984619e-03 -8.969984619e-03 5.42 -7.793771677e-03 -7.793771677e-03 5.44 -6.769287930e-03 -6.769287930e-03 5.46 -5.878001465e-03 -5.878001465e-03 5.48 -5.103333329e-03 -5.103333329e-03 5.50 -4.430538259e-03 -4.430538259e-03 5.52 -3.846566620e-03 -3.846566620e-03 5.54 -3.339917667e-03 -3.339917667e-03 5.56 -2.900491510e-03 -2.900491510e-03 5.58 -2.519444905e-03 -2.519444905e-03 5.60 -2.189054310e-03 -2.189054310e-03 5.62 -1.902588259e-03 -1.902588259e-03 5.64 -1.654190177e-03 -1.654190177e-03 5.66 -1.438772020e-03 -1.438772020e-03 5.68 -1.251918627e-03 -1.251918627e-03 5.70 -1.089802373e-03 -1.089802373e-03 5.72 -9.491074777e-04 -9.491074777e-04 5.74 -8.269632218e-04 -8.269632218e-04 5.76 -7.208852725e-04 -7.208852725e-04 5.78 -6.287243199e-04 -6.287243199e-04 5.80 -5.486212415e-04 -5.486212415e-04 5.82 -4.789680611e-04 -4.789680611e-04 5.84 -4.183740224e-04 -4.183740224e-04 5.86 -3.656361552e-04 -3.656361552e-04 5.88 -3.197137748e-04 -3.197137748e-04 5.90 -2.797064132e-04 -2.797064132e-04 5.92 -2.448347358e-04 -2.448347358e-04 5.94 -2.144240528e-04 -2.144240528e-04 5.96 -1.878900790e-04 -1.878900790e-04 5.98 -1.647266400e-04 -1.647266400e-04 6.00 -1.444950622e-04 -1.444950622e-04