# 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 = AuCo2Ta # 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 2.495199599e+02 2.495199599e+02 1.30 2.305036077e+02 2.305036077e+02 1.32 2.129234509e+02 2.129234509e+02 1.34 1.966579357e+02 1.966579357e+02 1.36 1.815984425e+02 1.815984425e+02 1.38 1.676476290e+02 1.676476290e+02 1.40 1.547180850e+02 1.547180850e+02 1.42 1.427313897e+02 1.427313897e+02 1.44 1.316173423e+02 1.316173423e+02 1.46 1.213131380e+02 1.213131380e+02 1.48 1.117620328e+02 1.117620328e+02 1.50 1.029113491e+02 1.029113491e+02 1.52 9.471059963e+01 9.471059963e+01 1.54 8.711070652e+01 8.711070652e+01 1.56 8.006444100e+01 8.006444100e+01 1.58 7.352741205e+01 7.352741205e+01 1.60 6.745885526e+01 6.745885526e+01 1.62 6.182189912e+01 6.182189912e+01 1.64 5.658337988e+01 5.658337988e+01 1.66 5.171340278e+01 5.171340278e+01 1.68 4.718481535e+01 4.718481535e+01 1.70 4.297272495e+01 4.297272495e+01 1.72 3.905415907e+01 3.905415907e+01 1.74 3.540859903e+01 3.540859903e+01 1.76 3.202072879e+01 3.202072879e+01 1.78 2.887661178e+01 2.887661178e+01 1.80 2.596832727e+01 2.596832727e+01 1.82 2.328026948e+01 2.328026948e+01 1.84 2.079813562e+01 2.079813562e+01 1.86 1.850792243e+01 1.850792243e+01 1.88 1.639680886e+01 1.639680886e+01 1.90 1.445293500e+01 1.445293500e+01 1.92 1.266513088e+01 1.266513088e+01 1.94 1.102266381e+01 1.102266381e+01 1.96 9.515069438e+00 9.515069438e+00 1.98 8.132100210e+00 8.132100210e+00 2.00 6.863790625e+00 6.863790625e+00 2.02 5.700615636e+00 5.700615636e+00 2.04 4.633691879e+00 4.633691879e+00 2.06 3.654948537e+00 3.654948537e+00 2.08 2.757206508e+00 2.757206508e+00 2.10 1.934150560e+00 1.934150560e+00 2.12 1.180224110e+00 1.180224110e+00 2.14 4.904938213e-01 4.904938213e-01 2.16 -1.394773435e-01 -1.394773435e-01 2.18 -7.137302217e-01 -7.137302217e-01 2.20 -1.235983109e+00 -1.235983109e+00 2.22 -1.709689061e+00 -1.709689061e+00 2.24 -2.138086501e+00 -2.138086501e+00 2.26 -2.524246939e+00 -2.524246939e+00 2.28 -2.871118029e+00 -2.871118029e+00 2.30 -3.181557089e+00 -3.181557089e+00 2.32 -3.458349567e+00 -3.458349567e+00 2.34 -3.704208538e+00 -3.704208538e+00 2.36 -3.921750652e+00 -3.921750652e+00 2.38 -4.113322342e+00 -4.113322342e+00 2.40 -4.281384287e+00 -4.281384287e+00 2.42 -4.428300421e+00 -4.428300421e+00 2.44 -4.556164398e+00 -4.556164398e+00 2.46 -4.666808609e+00 -4.666808609e+00 2.48 -4.761827412e+00 -4.761827412e+00 2.50 -4.842410066e+00 -4.842410066e+00 2.52 -4.909351844e+00 -4.909351844e+00 2.54 -4.963469456e+00 -4.963469456e+00 2.56 -5.005622090e+00 -5.005622090e+00 2.58 -5.036698975e+00 -5.036698975e+00 2.60 -5.057604839e+00 -5.057604839e+00 2.62 -5.069236791e+00 -5.069236791e+00 2.64 -5.072453392e+00 -5.072453392e+00 2.66 -5.068045090e+00 -5.068045090e+00 2.68 -5.056784393e+00 -5.056784393e+00 2.70 -5.039254661e+00 -5.039254661e+00 2.72 -5.015897835e+00 -5.015897835e+00 2.74 -4.987108543e+00 -4.987108543e+00 2.76 -4.953317317e+00 -4.953317317e+00 2.78 -4.914816896e+00 -4.914816896e+00 2.80 -4.871844141e+00 -4.871844141e+00 2.82 -4.824642640e+00 -4.824642640e+00 2.84 -4.773455960e+00 -4.773455960e+00 2.86 -4.718458772e+00 -4.718458772e+00 2.88 -4.659784491e+00 -4.659784491e+00 2.90 -4.597588458e+00 -4.597588458e+00 2.92 -4.532040132e+00 -4.532040132e+00 2.94 -4.463321886e+00 -4.463321886e+00 2.96 -4.391634786e+00 -4.391634786e+00 2.98 -4.317198774e+00 -4.317198774e+00 3.00 -4.240252102e+00 -4.240252102e+00 3.02 -4.161048894e+00 -4.161048894e+00 3.04 -4.079853666e+00 -4.079853666e+00 3.06 -3.996932570e+00 -3.996932570e+00 3.08 -3.912542518e+00 -3.912542518e+00 3.10 -3.826920654e+00 -3.826920654e+00 3.12 -3.740276955e+00 -3.740276955e+00 3.14 -3.652792009e+00 -3.652792009e+00 3.16 -3.564620433e+00 -3.564620433e+00 3.18 -3.475898915e+00 -3.475898915e+00 3.20 -3.386756857e+00 -3.386756857e+00 3.22 -3.297327415e+00 -3.297327415e+00 3.24 -3.207756944e+00 -3.207756944e+00 3.26 -3.118211441e+00 -3.118211441e+00 3.28 -3.028879071e+00 -3.028879071e+00 3.30 -2.939968464e+00 -2.939968464e+00 3.32 -2.851703022e+00 -2.851703022e+00 3.34 -2.764311962e+00 -2.764311962e+00 3.36 -2.678019305e+00 -2.678019305e+00 3.38 -2.593032250e+00 -2.593032250e+00 3.40 -2.509530438e+00 -2.509530438e+00 3.42 -2.427657387e+00 -2.427657387e+00 3.44 -2.347514965e+00 -2.347514965e+00 3.46 -2.269161260e+00 -2.269161260e+00 3.48 -2.192611715e+00 -2.192611715e+00 3.50 -2.117843012e+00 -2.117843012e+00 3.52 -2.044799016e+00 -2.044799016e+00 3.54 -1.973397999e+00 -1.973397999e+00 3.56 -1.903540520e+00 -1.903540520e+00 3.58 -1.835117414e+00 -1.835117414e+00 3.60 -1.768017566e+00 -1.768017566e+00 3.62 -1.702135246e+00 -1.702135246e+00 3.64 -1.637376847e+00 -1.637376847e+00 3.66 -1.573666916e+00 -1.573666916e+00 3.68 -1.510953292e+00 -1.510953292e+00 3.70 -1.449211145e+00 -1.449211145e+00 3.72 -1.388445639e+00 -1.388445639e+00 3.74 -1.328692935e+00 -1.328692935e+00 3.76 -1.270019292e+00 -1.270019292e+00 3.78 -1.212518140e+00 -1.212518140e+00 3.80 -1.156305156e+00 -1.156305156e+00 3.82 -1.101511621e+00 -1.101511621e+00 3.84 -1.048276503e+00 -1.048276503e+00 3.86 -9.967379054e-01 -9.967379054e-01 3.88 -9.470246139e-01 -9.470246139e-01 3.90 -8.992484540e-01 -8.992484540e-01 3.92 -8.534980736e-01 -8.534980736e-01 3.94 -8.098345855e-01 -8.098345855e-01 3.96 -7.682892657e-01 -7.682892657e-01 3.98 -7.288632934e-01 -7.288632934e-01 4.00 -6.915293054e-01 -6.915293054e-01 4.02 -6.562344135e-01 -6.562344135e-01 4.04 -6.229042616e-01 -6.229042616e-01 4.06 -5.914476973e-01 -5.914476973e-01 4.08 -5.617616736e-01 -5.617616736e-01 4.10 -5.337360731e-01 -5.337360731e-01 4.12 -5.072582277e-01 -5.072582277e-01 4.14 -4.822169622e-01 -4.822169622e-01 4.16 -4.585060778e-01 -4.585060778e-01 4.18 -4.360271844e-01 -4.360271844e-01 4.20 -4.146918263e-01 -4.146918263e-01 4.22 -3.944228412e-01 -3.944228412e-01 4.24 -3.751549009e-01 -3.751549009e-01 4.26 -3.568342050e-01 -3.568342050e-01 4.28 -3.394173538e-01 -3.394173538e-01 4.30 -3.228695026e-01 -3.228695026e-01 4.32 -3.071619900e-01 -3.071619900e-01 4.34 -2.922697135e-01 -2.922697135e-01 4.36 -2.781685632e-01 -2.781685632e-01 4.38 -2.648332124e-01 -2.648332124e-01 4.40 -2.522354875e-01 -2.522354875e-01 4.42 -2.403434332e-01 -2.403434332e-01 4.44 -2.291210649e-01 -2.291210649e-01 4.46 -2.185287029e-01 -2.185287029e-01 4.48 -2.085237210e-01 -2.085237210e-01 4.50 -1.990615252e-01 -1.990615252e-01 4.52 -1.900965954e-01 -1.900965954e-01 4.54 -1.815834641e-01 -1.815834641e-01 4.56 -1.734775533e-01 -1.734775533e-01 4.58 -1.657358351e-01 -1.657358351e-01 4.60 -1.583173173e-01 -1.583173173e-01 4.62 -1.511833781e-01 -1.511833781e-01 4.64 -1.442979886e-01 -1.442979886e-01 4.66 -1.376278656e-01 -1.376278656e-01 4.68 -1.311425968e-01 -1.311425968e-01 4.70 -1.248147752e-01 -1.248147752e-01 4.72 -1.186201711e-01 -1.186201711e-01 4.74 -1.125379606e-01 -1.125379606e-01 4.76 -1.065510159e-01 -1.065510159e-01 4.78 -1.006462504e-01 -1.006462504e-01 4.80 -9.481499236e-02 -9.481499236e-02 4.82 -8.905335232e-02 -8.905335232e-02 4.84 -8.336251548e-02 -8.336251548e-02 4.86 -7.774890615e-02 -7.774890615e-02 4.88 -7.222413877e-02 -7.222413877e-02 4.90 -6.680469199e-02 -6.680469199e-02 4.92 -6.151126474e-02 -6.151126474e-02 4.94 -5.636779722e-02 -5.636779722e-02 4.96 -5.140019256e-02 -5.140019256e-02 4.98 -4.663482394e-02 -4.663482394e-02 5.00 -4.209694655e-02 -4.209694655e-02 5.02 -3.780916529e-02 -3.780916529e-02 5.04 -3.379011092e-02 -3.379011092e-02 5.06 -3.005344612e-02 -3.005344612e-02 5.08 -2.660705263e-02 -2.660705263e-02 5.10 -2.345301254e-02 -2.345301254e-02 5.12 -2.058844793e-02 -2.058844793e-02 5.14 -1.800570578e-02 -1.800570578e-02 5.16 -1.569288099e-02 -1.569288099e-02 5.18 -1.363476499e-02 -1.363476499e-02 5.20 -1.181381679e-02 -1.181381679e-02 5.22 -1.021107715e-02 -1.021107715e-02 5.24 -8.806973635e-03 -8.806973635e-03 5.26 -7.581988470e-03 -7.581988470e-03 5.28 -6.517180126e-03 -6.517180126e-03 5.30 -5.594564496e-03 -5.594564496e-03 5.32 -4.797370495e-03 -4.797370495e-03 5.34 -4.110189776e-03 -4.110189776e-03 5.36 -3.519041675e-03 -3.519041675e-03 5.38 -3.011373566e-03 -3.011373566e-03 5.40 -2.576014646e-03 -2.576014646e-03 5.42 -2.203098272e-03 -2.203098272e-03 5.44 -1.883965039e-03 -1.883965039e-03 5.46 -1.611055950e-03 -1.611055950e-03 5.48 -1.377802623e-03 -1.377802623e-03 5.50 -1.178519408e-03 -1.178519408e-03 5.52 -1.008300671e-03 -1.008300671e-03 5.54 -8.629252514e-04 -8.629252514e-04 5.56 -7.387691529e-04 -7.387691529e-04 5.58 -6.327268606e-04 -6.327268606e-04 5.60 -5.421412221e-04 -5.421412221e-04 5.62 -4.647415142e-04 -4.647415142e-04 5.64 -3.985891412e-04 -3.985891412e-04 5.66 -3.420303089e-04 -3.420303089e-04 5.68 -2.936549823e-04 -2.936549823e-04 5.70 -2.522614382e-04 -2.522614382e-04 5.72 -2.168257530e-04 -2.168257530e-04 5.74 -1.864756121e-04 -1.864756121e-04 5.76 -1.604678797e-04 -1.604678797e-04 5.78 -1.381694255e-04 -1.381694255e-04 5.80 -1.190407602e-04 -1.190407602e-04 5.82 -1.026220849e-04 -1.026220849e-04 5.84 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