# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgCuPd2 # 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 5.876370304e+02 5.876370304e+02 1.00 5.371784304e+02 5.371784304e+02 1.02 4.916338216e+02 4.916338216e+02 1.04 4.504765052e+02 4.504765052e+02 1.06 4.132375278e+02 4.132375278e+02 1.08 3.795009393e+02 3.795009393e+02 1.10 3.489021633e+02 3.489021633e+02 1.12 3.211132438e+02 3.211132438e+02 1.14 2.958406167e+02 2.958406167e+02 1.16 2.728242133e+02 2.728242133e+02 1.18 2.518353562e+02 2.518353562e+02 1.20 2.326675713e+02 2.326675713e+02 1.22 2.151363421e+02 2.151363421e+02 1.24 1.990832679e+02 1.990832679e+02 1.26 1.843625505e+02 1.843625505e+02 1.28 1.708451554e+02 1.708451554e+02 1.30 1.584123148e+02 1.584123148e+02 1.32 1.469629049e+02 1.469629049e+02 1.34 1.364067053e+02 1.364067053e+02 1.36 1.266609580e+02 1.266609580e+02 1.38 1.176514545e+02 1.176514545e+02 1.40 1.093134194e+02 1.093134194e+02 1.42 1.015865531e+02 1.015865531e+02 1.44 9.441848154e+01 9.441848154e+01 1.46 8.776194317e+01 8.776194317e+01 1.48 8.157496438e+01 8.157496438e+01 1.50 7.581916426e+01 7.581916426e+01 1.52 7.045970131e+01 7.045970131e+01 1.54 6.546468636e+01 6.546468636e+01 1.56 6.080544655e+01 6.080544655e+01 1.58 5.645620833e+01 5.645620833e+01 1.60 5.239526759e+01 5.239526759e+01 1.62 4.860121306e+01 4.860121306e+01 1.64 4.505479977e+01 4.505479977e+01 1.66 4.173842358e+01 4.173842358e+01 1.68 3.863589689e+01 3.863589689e+01 1.70 3.573240173e+01 3.573240173e+01 1.72 3.301429138e+01 3.301429138e+01 1.74 3.046916049e+01 3.046916049e+01 1.76 2.808491512e+01 2.808491512e+01 1.78 2.585002937e+01 2.585002937e+01 1.80 2.373789647e+01 2.373789647e+01 1.82 2.177678462e+01 2.177678462e+01 1.84 1.992558659e+01 1.992558659e+01 1.86 1.819784368e+01 1.819784368e+01 1.88 1.657150177e+01 1.657150177e+01 1.90 1.504137513e+01 1.504137513e+01 1.92 1.360262686e+01 1.360262686e+01 1.94 1.225004749e+01 1.225004749e+01 1.96 1.098050922e+01 1.098050922e+01 1.98 9.789857751e+00 9.789857751e+00 2.00 8.674412520e+00 8.674412520e+00 2.02 7.630587488e+00 7.630587488e+00 2.04 6.654917129e+00 6.654917129e+00 2.06 5.743993607e+00 5.743993607e+00 2.08 4.894538623e+00 4.894538623e+00 2.10 4.103600571e+00 4.103600571e+00 2.12 3.367652134e+00 3.367652134e+00 2.14 2.684258284e+00 2.684258284e+00 2.16 2.050718857e+00 2.050718857e+00 2.18 1.464534401e+00 1.464534401e+00 2.20 9.232197897e-01 9.232197897e-01 2.22 4.244480617e-01 4.244480617e-01 2.24 -3.366866066e-02 -3.366866066e-02 2.26 -4.540587351e-01 -4.540587351e-01 2.28 -8.387707727e-01 -8.387707727e-01 2.30 -1.189989297e+00 -1.189989297e+00 2.32 -1.509742501e+00 -1.509742501e+00 2.34 -1.799814596e+00 -1.799814596e+00 2.36 -2.061998758e+00 -2.061998758e+00 2.38 -2.297920471e+00 -2.297920471e+00 2.40 -2.508787631e+00 -2.508787631e+00 2.42 -2.696682515e+00 -2.696682515e+00 2.44 -2.863031279e+00 -2.863031279e+00 2.46 -3.008977789e+00 -3.008977789e+00 2.48 -3.136282867e+00 -3.136282867e+00 2.50 -3.246360959e+00 -3.246360959e+00 2.52 -3.340207723e+00 -3.340207723e+00 2.54 -3.418986951e+00 -3.418986951e+00 2.56 -3.483797376e+00 -3.483797376e+00 2.58 -3.535623415e+00 -3.535623415e+00 2.60 -3.576197696e+00 -3.576197696e+00 2.62 -3.605970738e+00 -3.605970738e+00 2.64 -3.625615451e+00 -3.625615451e+00 2.66 -3.635830759e+00 -3.635830759e+00 2.68 -3.637456609e+00 -3.637456609e+00 2.70 -3.631299742e+00 -3.631299742e+00 2.72 -3.618048712e+00 -3.618048712e+00 2.74 -3.598351550e+00 -3.598351550e+00 2.76 -3.572810699e+00 -3.572810699e+00 2.78 -3.542470786e+00 -3.542470786e+00 2.80 -3.507102585e+00 -3.507102585e+00 2.82 -3.467267703e+00 -3.467267703e+00 2.84 -3.423651455e+00 -3.423651455e+00 2.86 -3.376689157e+00 -3.376689157e+00 2.88 -3.326782611e+00 -3.326782611e+00 2.90 -3.274317473e+00 -3.274317473e+00 2.92 -3.219764213e+00 -3.219764213e+00 2.94 -3.163294158e+00 -3.163294158e+00 2.96 -3.105204005e+00 -3.105204005e+00 2.98 -3.045767478e+00 -3.045767478e+00 3.00 -2.985224202e+00 -2.985224202e+00 3.02 -2.923862012e+00 -2.923862012e+00 3.04 -2.860658915e+00 -2.860658915e+00 3.06 -2.797046412e+00 -2.797046412e+00 3.08 -2.733222387e+00 -2.733222387e+00 3.10 -2.669351142e+00 -2.669351142e+00 3.12 -2.605578142e+00 -2.605578142e+00 3.14 -2.542033210e+00 -2.542033210e+00 3.16 -2.478833362e+00 -2.478833362e+00 3.18 -2.416083741e+00 -2.416083741e+00 3.20 -2.353878491e+00 -2.353878491e+00 3.22 -2.292301602e+00 -2.292301602e+00 3.24 -2.231416223e+00 -2.231416223e+00 3.26 -2.171884449e+00 -2.171884449e+00 3.28 -2.113346160e+00 -2.113346160e+00 3.30 -2.055645770e+00 -2.055645770e+00 3.32 -1.998827587e+00 -1.998827587e+00 3.34 -1.942930068e+00 -1.942930068e+00 3.36 -1.887997319e+00 -1.887997319e+00 3.38 -1.834042365e+00 -1.834042365e+00 3.40 -1.781069397e+00 -1.781069397e+00 3.42 -1.729126884e+00 -1.729126884e+00 3.44 -1.678115223e+00 -1.678115223e+00 3.46 -1.628076747e+00 -1.628076747e+00 3.48 -1.579100479e+00 -1.579100479e+00 3.50 -1.531211580e+00 -1.531211580e+00 3.52 -1.484397348e+00 -1.484397348e+00 3.54 -1.438659348e+00 -1.438659348e+00 3.56 -1.393984399e+00 -1.393984399e+00 3.58 -1.350365184e+00 -1.350365184e+00 3.60 -1.307803168e+00 -1.307803168e+00 3.62 -1.266243426e+00 -1.266243426e+00 3.64 -1.225595893e+00 -1.225595893e+00 3.66 -1.185804558e+00 -1.185804558e+00 3.68 -1.146913899e+00 -1.146913899e+00 3.70 -1.109002477e+00 -1.109002477e+00 3.72 -1.072126275e+00 -1.072126275e+00 3.74 -1.036267752e+00 -1.036267752e+00 3.76 -1.001386660e+00 -1.001386660e+00 3.78 -9.674582285e-01 -9.674582285e-01 3.80 -9.344627600e-01 -9.344627600e-01 3.82 -9.023773200e-01 -9.023773200e-01 3.84 -8.711672326e-01 -8.711672326e-01 3.86 -8.408223198e-01 -8.408223198e-01 3.88 -8.113377981e-01 -8.113377981e-01 3.90 -7.827088109e-01 -7.827088109e-01 3.92 -7.548902386e-01 -7.548902386e-01 3.94 -7.277962166e-01 -7.277962166e-01 3.96 -7.013532358e-01 -7.013532358e-01 3.98 -6.756470932e-01 -6.756470932e-01 4.00 -6.507459657e-01 -6.507459657e-01 4.02 -6.266986970e-01 -6.266986970e-01 4.04 -6.035379844e-01 -6.035379844e-01 4.06 -5.813178389e-01 -5.813178389e-01 4.08 -5.600397298e-01 -5.600397298e-01 4.10 -5.397346417e-01 -5.397346417e-01 4.12 -5.202478352e-01 -5.202478352e-01 4.14 -5.013439597e-01 -5.013439597e-01 4.16 -4.828452159e-01 -4.828452159e-01 4.18 -4.646213452e-01 -4.646213452e-01 4.20 -4.465805175e-01 -4.465805175e-01 4.22 -4.286616782e-01 -4.286616782e-01 4.24 -4.108281525e-01 -4.108281525e-01 4.26 -3.930621008e-01 -3.930621008e-01 4.28 -3.753253904e-01 -3.753253904e-01 4.30 -3.582024980e-01 -3.582024980e-01 4.32 -3.414737602e-01 -3.414737602e-01 4.34 -3.249060460e-01 -3.249060460e-01 4.36 -3.085455989e-01 -3.085455989e-01 4.38 -2.924684941e-01 -2.924684941e-01 4.40 -2.767531924e-01 -2.767531924e-01 4.42 -2.614599973e-01 -2.614599973e-01 4.44 -2.466340213e-01 -2.466340213e-01 4.46 -2.323077175e-01 -2.323077175e-01 4.48 -2.185030406e-01 -2.185030406e-01 4.50 -2.052332809e-01 -2.052332809e-01 4.52 -1.925046239e-01 -1.925046239e-01 4.54 -1.803174728e-01 -1.803174728e-01 4.56 -1.686674240e-01 -1.686674240e-01 4.58 -1.575346156e-01 -1.575346156e-01 4.60 -1.472462274e-01 -1.472462274e-01 4.62 -1.377554375e-01 -1.377554375e-01 4.64 -1.287070168e-01 -1.287070168e-01 4.66 -1.200982355e-01 -1.200982355e-01 4.68 -1.119138907e-01 -1.119138907e-01 4.70 -1.041381893e-01 -1.041381893e-01 4.72 -9.675503440e-02 -9.675503440e-02 4.74 -8.974821918e-02 -8.974821918e-02 4.76 -8.310158603e-02 -8.310158603e-02 4.78 -7.679915178e-02 -7.679915178e-02 4.80 -7.082342853e-02 -7.082342853e-02 4.82 -6.521353683e-02 -6.521353683e-02 4.84 -5.991873406e-02 -5.991873406e-02 4.86 -5.490242638e-02 -5.490242638e-02 4.88 -5.015099052e-02 -5.015099052e-02 4.90 -4.565129808e-02 -4.565129808e-02 4.92 -4.139048702e-02 -4.139048702e-02 4.94 -3.732777058e-02 -3.732777058e-02 4.96 -3.389586691e-02 -3.389586691e-02 4.98 -3.105240800e-02 -3.105240800e-02 5.00 -2.833606592e-02 -2.833606592e-02 5.02 -2.576698197e-02 -2.576698197e-02 5.04 -2.333762114e-02 -2.333762114e-02 5.06 -2.104060101e-02 -2.104060101e-02 5.08 -1.886889823e-02 -1.886889823e-02 5.10 -1.681583637e-02 -1.681583637e-02 5.12 -1.487507324e-02 -1.487507324e-02 5.14 -1.304058780e-02 -1.304058780e-02 5.16 -1.130666682e-02 -1.130666682e-02 5.18 -9.667891680e-03 -9.667891680e-03 5.20 -8.119125314e-03 -8.119125314e-03 5.22 -6.655499404e-03 -6.655499404e-03 5.24 -5.272401532e-03 -5.272401532e-03 5.26 -3.965435926e-03 -3.965435926e-03 5.28 -2.732222768e-03 -2.732222768e-03 5.30 -1.606917422e-03 -1.606917422e-03 5.32 -1.394005408e-03 -1.394005408e-03 5.34 -1.221624799e-03 -1.221624799e-03 5.36 -1.066374764e-03 -1.066374764e-03 5.38 -9.208137505e-04 -9.208137505e-04 5.40 -7.843520724e-04 -7.843520724e-04 5.42 -6.564349463e-04 -6.564349463e-04 5.44 -5.365404779e-04 -5.365404779e-04 5.46 -4.241777712e-04 -4.241777712e-04 5.48 -3.188851498e-04 -3.188851498e-04 5.50 -2.202284776e-04 -2.202284776e-04 5.52 -1.277995505e-04 -1.277995505e-04 5.54 -4.066065268e-05 -4.066065268e-05 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 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