# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNi2Pd # 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 2022-05-24 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 6.335696445e+02 6.335696445e+02 1.00 5.747877334e+02 5.747877334e+02 1.02 5.217739721e+02 5.217739721e+02 1.04 4.739514085e+02 4.739514085e+02 1.06 4.308019959e+02 4.308019959e+02 1.08 3.918548794e+02 3.918548794e+02 1.10 3.566933869e+02 3.566933869e+02 1.12 3.249329097e+02 3.249329097e+02 1.14 2.962313380e+02 2.962313380e+02 1.16 2.702851930e+02 2.702851930e+02 1.18 2.468168473e+02 2.468168473e+02 1.20 2.255772149e+02 2.255772149e+02 1.22 2.063393926e+02 2.063393926e+02 1.24 1.889047489e+02 1.889047489e+02 1.26 1.730897286e+02 1.730897286e+02 1.28 1.587304890e+02 1.587304890e+02 1.30 1.456814414e+02 1.456814414e+02 1.32 1.338106683e+02 1.338106683e+02 1.34 1.229993008e+02 1.229993008e+02 1.36 1.131430440e+02 1.131430440e+02 1.38 1.041472693e+02 1.041472693e+02 1.40 9.592461356e+01 9.592461356e+01 1.42 8.840023590e+01 8.840023590e+01 1.44 8.150733175e+01 8.150733175e+01 1.46 7.518453674e+01 7.518453674e+01 1.48 6.937627842e+01 6.937627842e+01 1.50 6.403425834e+01 6.403425834e+01 1.52 5.911555474e+01 5.911555474e+01 1.54 5.458109596e+01 5.458109596e+01 1.56 5.039503206e+01 5.039503206e+01 1.58 4.652583634e+01 4.652583634e+01 1.60 4.294647893e+01 4.294647893e+01 1.62 3.963198646e+01 3.963198646e+01 1.64 3.655874156e+01 3.655874156e+01 1.66 3.370694569e+01 3.370694569e+01 1.68 3.105849006e+01 3.105849006e+01 1.70 2.859653874e+01 2.859653874e+01 1.72 2.630471303e+01 2.630471303e+01 1.74 2.417174641e+01 2.417174641e+01 1.76 2.218541998e+01 2.218541998e+01 1.78 2.033400071e+01 2.033400071e+01 1.80 1.860898120e+01 1.860898120e+01 1.82 1.699800708e+01 1.699800708e+01 1.84 1.547315997e+01 1.547315997e+01 1.86 1.405305024e+01 1.405305024e+01 1.88 1.270797196e+01 1.270797196e+01 1.90 1.142926511e+01 1.142926511e+01 1.92 1.021634067e+01 1.021634067e+01 1.94 9.068059287e+00 9.068059287e+00 1.96 7.983136353e+00 7.983136353e+00 1.98 6.960164227e+00 6.960164227e+00 2.00 5.997566870e+00 5.997566870e+00 2.02 5.093639403e+00 5.093639403e+00 2.04 4.246558945e+00 4.246558945e+00 2.06 3.454418752e+00 3.454418752e+00 2.08 2.715178190e+00 2.715178190e+00 2.10 2.027007262e+00 2.027007262e+00 2.12 1.388250874e+00 1.388250874e+00 2.14 7.959691411e-01 7.959691411e-01 2.16 2.482155108e-01 2.482155108e-01 2.18 -2.570404755e-01 -2.570404755e-01 2.20 -7.217761693e-01 -7.217761693e-01 2.22 -1.148108377e+00 -1.148108377e+00 2.24 -1.537893191e+00 -1.537893191e+00 2.26 -1.893002489e+00 -1.893002489e+00 2.28 -2.215311956e+00 -2.215311956e+00 2.30 -2.506665252e+00 -2.506665252e+00 2.32 -2.768874456e+00 -2.768874456e+00 2.34 -3.003312635e+00 -3.003312635e+00 2.36 -3.211688424e+00 -3.211688424e+00 2.38 -3.395720834e+00 -3.395720834e+00 2.40 -3.556824230e+00 -3.556824230e+00 2.42 -3.697157893e+00 -3.697157893e+00 2.44 -3.817737684e+00 -3.817737684e+00 2.46 -3.919926110e+00 -3.919926110e+00 2.48 -4.005033792e+00 -4.005033792e+00 2.50 -4.074312859e+00 -4.074312859e+00 2.52 -4.129609985e+00 -4.129609985e+00 2.54 -4.171766732e+00 -4.171766732e+00 2.56 -4.201522151e+00 -4.201522151e+00 2.58 -4.219884548e+00 -4.219884548e+00 2.60 -4.227808064e+00 -4.227808064e+00 2.62 -4.226155249e+00 -4.226155249e+00 2.64 -4.215574266e+00 -4.215574266e+00 2.66 -4.197050567e+00 -4.197050567e+00 2.68 -4.171478419e+00 -4.171478419e+00 2.70 -4.139483101e+00 -4.139483101e+00 2.72 -4.101744143e+00 -4.101744143e+00 2.74 -4.058097909e+00 -4.058097909e+00 2.76 -4.009630515e+00 -4.009630515e+00 2.78 -3.957420783e+00 -3.957420783e+00 2.80 -3.901877499e+00 -3.901877499e+00 2.82 -3.843228454e+00 -3.843228454e+00 2.84 -3.781890170e+00 -3.781890170e+00 2.86 -3.718247163e+00 -3.718247163e+00 2.88 -3.652653311e+00 -3.652653311e+00 2.90 -3.585448044e+00 -3.585448044e+00 2.92 -3.517071631e+00 -3.517071631e+00 2.94 -3.447645702e+00 -3.447645702e+00 2.96 -3.378027936e+00 -3.378027936e+00 2.98 -3.307400035e+00 -3.307400035e+00 3.00 -3.235579254e+00 -3.235579254e+00 3.02 -3.163599518e+00 -3.163599518e+00 3.04 -3.091638552e+00 -3.091638552e+00 3.06 -3.019849056e+00 -3.019849056e+00 3.08 -2.948367233e+00 -2.948367233e+00 3.10 -2.877314873e+00 -2.877314873e+00 3.12 -2.806800675e+00 -2.806800675e+00 3.14 -2.736921297e+00 -2.736921297e+00 3.16 -2.667762344e+00 -2.667762344e+00 3.18 -2.599399274e+00 -2.599399274e+00 3.20 -2.531898248e+00 -2.531898248e+00 3.22 -2.465316883e+00 -2.465316883e+00 3.24 -2.399699039e+00 -2.399699039e+00 3.26 -2.335400051e+00 -2.335400051e+00 3.28 -2.272236568e+00 -2.272236568e+00 3.30 -2.210130870e+00 -2.210130870e+00 3.32 -2.149109057e+00 -2.149109057e+00 3.34 -2.089192358e+00 -2.089192358e+00 3.36 -2.030397778e+00 -2.030397778e+00 3.38 -1.972731575e+00 -1.972731575e+00 3.40 -1.916231840e+00 -1.916231840e+00 3.42 -1.861118773e+00 -1.861118773e+00 3.44 -1.807070673e+00 -1.807070673e+00 3.46 -1.753913823e+00 -1.753913823e+00 3.48 -1.701750514e+00 -1.701750514e+00 3.50 -1.650743876e+00 -1.650743876e+00 3.52 -1.600884063e+00 -1.600884063e+00 3.54 -1.552094762e+00 -1.552094762e+00 3.56 -1.504330055e+00 -1.504330055e+00 3.58 -1.457607835e+00 -1.457607835e+00 3.60 -1.411959606e+00 -1.411959606e+00 3.62 -1.367396565e+00 -1.367396565e+00 3.64 -1.323906760e+00 -1.323906760e+00 3.66 -1.281486174e+00 -1.281486174e+00 3.68 -1.240122289e+00 -1.240122289e+00 3.70 -1.199781232e+00 -1.199781232e+00 3.72 -1.160451981e+00 -1.160451981e+00 3.74 -1.122131765e+00 -1.122131765e+00 3.76 -1.084802668e+00 -1.084802668e+00 3.78 -1.048442928e+00 -1.048442928e+00 3.80 -1.012946172e+00 -1.012946172e+00 3.82 -9.783396473e-01 -9.783396473e-01 3.84 -9.446533660e-01 -9.446533660e-01 3.86 -9.119081182e-01 -9.119081182e-01 3.88 -8.801328164e-01 -8.801328164e-01 3.90 -8.493464596e-01 -8.493464596e-01 3.92 -8.196054044e-01 -8.196054044e-01 3.94 -7.909065219e-01 -7.909065219e-01 3.96 -7.629289367e-01 -7.629289367e-01 3.98 -7.355853538e-01 -7.355853538e-01 4.00 -7.088450025e-01 -7.088450025e-01 4.02 -6.826931136e-01 -6.826931136e-01 4.04 -6.571263042e-01 -6.571263042e-01 4.06 -6.321489411e-01 -6.321489411e-01 4.08 -6.077702871e-01 -6.077702871e-01 4.10 -5.841098954e-01 -5.841098954e-01 4.12 -5.611412059e-01 -5.611412059e-01 4.14 -5.386193794e-01 -5.386193794e-01 4.16 -5.165218833e-01 -5.165218833e-01 4.18 -4.954519655e-01 -4.954519655e-01 4.20 -4.746668137e-01 -4.746668137e-01 4.22 -4.541887149e-01 -4.541887149e-01 4.24 -4.340272710e-01 -4.340272710e-01 4.26 -4.141947172e-01 -4.141947172e-01 4.28 -3.947047518e-01 -3.947047518e-01 4.30 -3.755718362e-01 -3.755718362e-01 4.32 -3.568106145e-01 -3.568106145e-01 4.34 -3.384326072e-01 -3.384326072e-01 4.36 -3.203887487e-01 -3.203887487e-01 4.38 -3.027287818e-01 -3.027287818e-01 4.40 -2.855314087e-01 -2.855314087e-01 4.42 -2.688557675e-01 -2.688557675e-01 4.44 -2.527447202e-01 -2.527447202e-01 4.46 -2.372276551e-01 -2.372276551e-01 4.48 -2.223228700e-01 -2.223228700e-01 4.50 -2.080395878e-01 -2.080395878e-01 4.52 -1.943796603e-01 -1.943796603e-01 4.54 -1.813390067e-01 -1.813390067e-01 4.56 -1.689087194e-01 -1.689087194e-01 4.58 -1.570670992e-01 -1.570670992e-01 4.60 -1.460598656e-01 -1.460598656e-01 4.62 -1.358417260e-01 -1.358417260e-01 4.64 -1.261308659e-01 -1.261308659e-01 4.66 -1.169180155e-01 -1.169180155e-01 4.68 -1.081841692e-01 -1.081841692e-01 4.70 -9.990985862e-02 -9.990985862e-02 4.72 -9.207544724e-02 -9.207544724e-02 4.74 -8.466134050e-02 -8.466134050e-02 4.76 -7.764815432e-02 -7.764815432e-02 4.78 -7.102247106e-02 -7.102247106e-02 4.80 -6.476779084e-02 -6.476779084e-02 4.82 -6.030502506e-02 -6.030502506e-02 4.84 -5.613946247e-02 -5.613946247e-02 4.86 -5.220035052e-02 -5.220035052e-02 4.88 -4.847661664e-02 -4.847661664e-02 4.90 -4.495744012e-02 -4.495744012e-02 4.92 -4.163238643e-02 -4.163238643e-02 4.94 -3.849142254e-02 -3.849142254e-02 4.96 -3.552492498e-02 -3.552492498e-02 4.98 -3.272368274e-02 -3.272368274e-02 5.00 -3.007889577e-02 -3.007889577e-02 5.02 -2.758217031e-02 -2.758217031e-02 5.04 -2.522551143e-02 -2.522551143e-02 5.06 -2.300131286e-02 -2.300131286e-02 5.08 -2.090234577e-02 -2.090234577e-02 5.10 -1.892174638e-02 -1.892174638e-02 5.12 -1.705300282e-02 -1.705300282e-02 5.14 -1.528994129e-02 -1.528994129e-02 5.16 -1.362671196e-02 -1.362671196e-02 5.18 -1.205777482e-02 -1.205777482e-02 5.20 -1.057788571e-02 -1.057788571e-02 5.22 -9.182082529e-03 -9.182082529e-03 5.24 -7.865671504e-03 -7.865671504e-03 5.26 -6.624197703e-03 -6.624197703e-03 5.28 -5.454520437e-03 -5.454520437e-03 5.30 -4.375555168e-03 -4.375555168e-03 5.32 -3.868919702e-03 -3.868919702e-03 5.34 -3.408999368e-03 -3.408999368e-03 5.36 -2.980442731e-03 -2.980442731e-03 5.38 -2.577574122e-03 -2.577574122e-03 5.40 -2.198899282e-03 -2.198899282e-03 5.42 -1.843008223e-03 -1.843008223e-03 5.44 -1.508570592e-03 -1.508570592e-03 5.46 -1.194331309e-03 -1.194331309e-03 5.48 -8.991064501e-04 -8.991064501e-04 5.50 -6.217793555e-04 -6.217793555e-04 5.52 -3.612968878e-04 -3.612968878e-04 5.54 -1.150956408e-04 -1.150956408e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 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