# 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 = AuCu2Pd # 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 5.166149101e+02 5.166149101e+02 1.00 4.695267207e+02 4.695267207e+02 1.02 4.270403976e+02 4.270403976e+02 1.04 3.886885162e+02 3.886885162e+02 1.06 3.540489912e+02 3.540489912e+02 1.08 3.227517368e+02 3.227517368e+02 1.10 2.944623372e+02 2.944623372e+02 1.12 2.688783743e+02 2.688783743e+02 1.14 2.457270380e+02 2.457270380e+02 1.16 2.247587025e+02 2.247587025e+02 1.18 2.057577443e+02 2.057577443e+02 1.20 1.885259866e+02 1.885259866e+02 1.22 1.728860789e+02 1.728860789e+02 1.24 1.586807857e+02 1.586807857e+02 1.26 1.457652184e+02 1.457652184e+02 1.28 1.340116078e+02 1.340116078e+02 1.30 1.233022024e+02 1.233022024e+02 1.32 1.135333441e+02 1.135333441e+02 1.34 1.046140637e+02 1.046140637e+02 1.36 9.645937879e+01 9.645937879e+01 1.38 8.899314889e+01 8.899314889e+01 1.40 8.215109131e+01 8.215109131e+01 1.42 7.587204018e+01 7.587204018e+01 1.44 7.010068007e+01 7.010068007e+01 1.46 6.478960232e+01 6.478960232e+01 1.48 5.989677619e+01 5.989677619e+01 1.50 5.538346753e+01 5.538346753e+01 1.52 5.121471250e+01 5.121471250e+01 1.54 4.735875180e+01 4.735875180e+01 1.56 4.378824672e+01 4.378824672e+01 1.58 4.047799672e+01 4.047799672e+01 1.60 3.740635200e+01 3.740635200e+01 1.62 3.455303340e+01 3.455303340e+01 1.64 3.189948166e+01 3.189948166e+01 1.66 2.942985074e+01 2.942985074e+01 1.68 2.712939850e+01 2.712939850e+01 1.70 2.498467166e+01 2.498467166e+01 1.72 2.298461998e+01 2.298461998e+01 1.74 2.111458673e+01 2.111458673e+01 1.76 1.937223040e+01 1.937223040e+01 1.78 1.774592338e+01 1.774592338e+01 1.80 1.622930322e+01 1.622930322e+01 1.82 1.481524350e+01 1.481524350e+01 1.84 1.346292846e+01 1.346292846e+01 1.86 1.221173528e+01 1.221173528e+01 1.88 1.102671261e+01 1.102671261e+01 1.90 9.905247890e+00 9.905247890e+00 1.92 8.844776384e+00 8.844776384e+00 1.94 7.841749046e+00 7.841749046e+00 1.96 6.896126755e+00 6.896126755e+00 1.98 6.005775555e+00 6.005775555e+00 2.00 5.168721684e+00 5.168721684e+00 2.02 4.383126592e+00 4.383126592e+00 2.04 3.647126858e+00 3.647126858e+00 2.06 2.958850516e+00 2.958850516e+00 2.08 2.316387889e+00 2.316387889e+00 2.10 1.717871038e+00 1.717871038e+00 2.12 1.161182769e+00 1.161182769e+00 2.14 6.446693288e-01 6.446693288e-01 2.16 1.662215696e-01 1.662215696e-01 2.18 -2.756785392e-01 -2.756785392e-01 2.20 -6.827235658e-01 -6.827235658e-01 2.22 -1.056345513e+00 -1.056345513e+00 2.24 -1.397507257e+00 -1.397507257e+00 2.26 -1.709162518e+00 -1.709162518e+00 2.28 -1.992913343e+00 -1.992913343e+00 2.30 -2.250335177e+00 -2.250335177e+00 2.32 -2.482915347e+00 -2.482915347e+00 2.34 -2.691926554e+00 -2.691926554e+00 2.36 -2.878729506e+00 -2.878729506e+00 2.38 -3.044883531e+00 -3.044883531e+00 2.40 -3.191684044e+00 -3.191684044e+00 2.42 -3.320405406e+00 -3.320405406e+00 2.44 -3.432208551e+00 -3.432208551e+00 2.46 -3.527676109e+00 -3.527676109e+00 2.48 -3.608418004e+00 -3.608418004e+00 2.50 -3.675871539e+00 -3.675871539e+00 2.52 -3.730626982e+00 -3.730626982e+00 2.54 -3.773617580e+00 -3.773617580e+00 2.56 -3.805720151e+00 -3.805720151e+00 2.58 -3.827727855e+00 -3.827727855e+00 2.60 -3.841916127e+00 -3.841916127e+00 2.62 -3.847867381e+00 -3.847867381e+00 2.64 -3.845751828e+00 -3.845751828e+00 2.66 -3.836527655e+00 -3.836527655e+00 2.68 -3.820811413e+00 -3.820811413e+00 2.70 -3.799102688e+00 -3.799102688e+00 2.72 -3.771943536e+00 -3.771943536e+00 2.74 -3.739843368e+00 -3.739843368e+00 2.76 -3.703277401e+00 -3.703277401e+00 2.78 -3.662939038e+00 -3.662939038e+00 2.80 -3.619186479e+00 -3.619186479e+00 2.82 -3.571729595e+00 -3.571729595e+00 2.84 -3.520309591e+00 -3.520309591e+00 2.86 -3.466493529e+00 -3.466493529e+00 2.88 -3.410541614e+00 -3.410541614e+00 2.90 -3.352757068e+00 -3.352757068e+00 2.92 -3.293541517e+00 -3.293541517e+00 2.94 -3.232984751e+00 -3.232984751e+00 2.96 -3.171318598e+00 -3.171318598e+00 2.98 -3.108752461e+00 -3.108752461e+00 3.00 -3.045533095e+00 -3.045533095e+00 3.02 -2.981171751e+00 -2.981171751e+00 3.04 -2.916400732e+00 -2.916400732e+00 3.06 -2.851979248e+00 -2.851979248e+00 3.08 -2.787509441e+00 -2.787509441e+00 3.10 -2.723127908e+00 -2.723127908e+00 3.12 -2.658951068e+00 -2.658951068e+00 3.14 -2.595084391e+00 -2.595084391e+00 3.16 -2.531623392e+00 -2.531623392e+00 3.18 -2.468654328e+00 -2.468654328e+00 3.20 -2.406254837e+00 -2.406254837e+00 3.22 -2.344494563e+00 -2.344494563e+00 3.24 -2.283429923e+00 -2.283429923e+00 3.26 -2.223416297e+00 -2.223416297e+00 3.28 -2.164291209e+00 -2.164291209e+00 3.30 -2.105993877e+00 -2.105993877e+00 3.32 -2.048562566e+00 -2.048562566e+00 3.34 -1.992031109e+00 -1.992031109e+00 3.36 -1.936428139e+00 -1.936428139e+00 3.38 -1.881774635e+00 -1.881774635e+00 3.40 -1.828123415e+00 -1.828123415e+00 3.42 -1.775628717e+00 -1.775628717e+00 3.44 -1.724071931e+00 -1.724071931e+00 3.46 -1.673416911e+00 -1.673416911e+00 3.48 -1.623565324e+00 -1.623565324e+00 3.50 -1.574556075e+00 -1.574556075e+00 3.52 -1.526564598e+00 -1.526564598e+00 3.54 -1.479656380e+00 -1.479656380e+00 3.56 -1.433792060e+00 -1.433792060e+00 3.58 -1.388953711e+00 -1.388953711e+00 3.60 -1.345143317e+00 -1.345143317e+00 3.62 -1.302337253e+00 -1.302337253e+00 3.64 -1.260493188e+00 -1.260493188e+00 3.66 -1.219576435e+00 -1.219576435e+00 3.68 -1.179589351e+00 -1.179589351e+00 3.70 -1.140551139e+00 -1.140551139e+00 3.72 -1.102471768e+00 -1.102471768e+00 3.74 -1.065344968e+00 -1.065344968e+00 3.76 -1.029161899e+00 -1.029161899e+00 3.78 -9.939094324e-01 -9.939094324e-01 3.80 -9.595775102e-01 -9.595775102e-01 3.82 -9.261421927e-01 -9.261421927e-01 3.84 -8.935913358e-01 -8.935913358e-01 3.86 -8.619115321e-01 -8.619115321e-01 3.88 -8.310864999e-01 -8.310864999e-01 3.90 -8.011129509e-01 -8.011129509e-01 3.92 -7.719405018e-01 -7.719405018e-01 3.94 -7.435045435e-01 -7.435045435e-01 3.96 -7.158351514e-01 -7.158351514e-01 3.98 -6.888973536e-01 -6.888973536e-01 4.00 -6.627395072e-01 -6.627395072e-01 4.02 -6.374099984e-01 -6.374099984e-01 4.04 -6.129423105e-01 -6.129423105e-01 4.06 -5.893800379e-01 -5.893800379e-01 4.08 -5.667953861e-01 -5.667953861e-01 4.10 -5.450622792e-01 -5.450622792e-01 4.12 -5.241222331e-01 -5.241222331e-01 4.14 -5.038258483e-01 -5.038258483e-01 4.16 -4.839967307e-01 -4.839967307e-01 4.18 -4.645056737e-01 -4.645056737e-01 4.20 -4.452615475e-01 -4.452615475e-01 4.22 -4.262036491e-01 -4.262036491e-01 4.24 -4.072953160e-01 -4.072953160e-01 4.26 -3.885183082e-01 -3.885183082e-01 4.28 -3.698328000e-01 -3.698328000e-01 4.30 -3.519993972e-01 -3.519993972e-01 4.32 -3.346460100e-01 -3.346460100e-01 4.34 -3.175119005e-01 -3.175119005e-01 4.36 -3.006377847e-01 -3.006377847e-01 4.38 -2.840948298e-01 -2.840948298e-01 4.40 -2.679595716e-01 -2.679595716e-01 4.42 -2.522900111e-01 -2.522900111e-01 4.44 -2.371287061e-01 -2.371287061e-01 4.46 -2.225054023e-01 -2.225054023e-01 4.48 -2.084392788e-01 -2.084392788e-01 4.50 -1.949408413e-01 -1.949408413e-01 4.52 -1.820135337e-01 -1.820135337e-01 4.54 -1.696550962e-01 -1.696550962e-01 4.56 -1.578585996e-01 -1.578585996e-01 4.58 -1.466042012e-01 -1.466042012e-01 4.60 -1.361471582e-01 -1.361471582e-01 4.62 -1.264452170e-01 -1.264452170e-01 4.64 -1.172108899e-01 -1.172108899e-01 4.66 -1.084365884e-01 -1.084365884e-01 4.68 -1.001048928e-01 -1.001048928e-01 4.70 -9.219802447e-02 -9.219802447e-02 4.72 -8.469810275e-02 -8.469810275e-02 4.74 -7.758732116e-02 -7.758732116e-02 4.76 -7.084809054e-02 -7.084809054e-02 4.78 -6.446314711e-02 -6.446314711e-02 4.80 -5.841265271e-02 -5.841265271e-02 4.82 -5.277157066e-02 -5.277157066e-02 4.84 -4.746418896e-02 -4.746418896e-02 4.86 -4.243817669e-02 -4.243817669e-02 4.88 -3.767943291e-02 -3.767943291e-02 4.90 -3.317441367e-02 -3.317441367e-02 4.92 -2.890952347e-02 -2.890952347e-02 4.94 -2.479938949e-02 -2.479938949e-02 4.96 -2.196152879e-02 -2.196152879e-02 4.98 -2.030369835e-02 -2.030369835e-02 5.00 -1.866922964e-02 -1.866922964e-02 5.02 -1.712493505e-02 -1.712493505e-02 5.04 -1.566652175e-02 -1.566652175e-02 5.06 -1.428937770e-02 -1.428937770e-02 5.08 -1.298911838e-02 -1.298911838e-02 5.10 -1.176157883e-02 -1.176157883e-02 5.12 -1.060280551e-02 -1.060280551e-02 5.14 -9.509047740e-03 -9.509047740e-03 5.16 -8.476749132e-03 -8.476749132e-03 5.18 -7.502539086e-03 -7.502539086e-03 5.20 -6.583224394e-03 -6.583224394e-03 5.22 -5.715781040e-03 -5.715781040e-03 5.24 -4.897346001e-03 -4.897346001e-03 5.26 -4.125199320e-03 -4.125199320e-03 5.28 -3.397433698e-03 -3.397433698e-03 5.30 -2.725868442e-03 -2.725868442e-03 5.32 -2.410449672e-03 -2.410449672e-03 5.34 -2.124069386e-03 -2.124069386e-03 5.36 -1.857179419e-03 -1.857179419e-03 5.38 -1.606252461e-03 -1.606252461e-03 5.40 -1.370363835e-03 -1.370363835e-03 5.42 -1.148640593e-03 -1.148640593e-03 5.44 -9.402587178e-04 -9.402587178e-04 5.46 -7.444404734e-04 -7.444404734e-04 5.48 -5.604519152e-04 -5.604519152e-04 5.50 -3.876005235e-04 -3.876005235e-04 5.52 -2.252329286e-04 -2.252329286e-04 5.54 -7.175383578e-05 -7.175383578e-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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