# 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 = AuCu2Pt # 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 6.196308126e+02 6.196308126e+02 1.00 5.631552325e+02 5.631552325e+02 1.02 5.120279300e+02 5.120279300e+02 1.04 4.657310040e+02 4.657310040e+02 1.06 4.237970039e+02 4.237970039e+02 1.08 3.858121921e+02 3.858121921e+02 1.10 3.514009811e+02 3.514009811e+02 1.12 3.202225494e+02 3.202225494e+02 1.14 2.919684934e+02 2.919684934e+02 1.16 2.663524539e+02 2.663524539e+02 1.18 2.431256544e+02 2.431256544e+02 1.20 2.220584040e+02 2.220584040e+02 1.22 2.029447343e+02 2.029447343e+02 1.24 1.855975094e+02 1.855975094e+02 1.26 1.698447971e+02 1.698447971e+02 1.28 1.555333811e+02 1.555333811e+02 1.30 1.425220025e+02 1.425220025e+02 1.32 1.306849103e+02 1.306849103e+02 1.34 1.199099313e+02 1.199099313e+02 1.36 1.100924325e+02 1.100924325e+02 1.38 1.011381989e+02 1.011381989e+02 1.40 9.296612089e+01 9.296612089e+01 1.42 8.549962094e+01 8.549962094e+01 1.44 7.866912205e+01 7.866912205e+01 1.46 7.241483581e+01 7.241483581e+01 1.48 6.668238371e+01 6.668238371e+01 1.50 6.142140086e+01 6.142140086e+01 1.52 5.658703986e+01 5.658703986e+01 1.54 5.213863627e+01 5.213863627e+01 1.56 4.804069560e+01 4.804069560e+01 1.58 4.426065484e+01 4.426065484e+01 1.60 4.077011982e+01 4.077011982e+01 1.62 3.754297376e+01 3.754297376e+01 1.64 3.455533575e+01 3.455533575e+01 1.66 3.178682954e+01 3.178682954e+01 1.68 2.921839281e+01 2.921839281e+01 1.70 2.683248947e+01 2.683248947e+01 1.72 2.461379851e+01 2.461379851e+01 1.74 2.254849857e+01 2.254849857e+01 1.76 2.062707186e+01 2.062707186e+01 1.78 1.883639767e+01 1.883639767e+01 1.80 1.717145549e+01 1.717145549e+01 1.82 1.562319769e+01 1.562319769e+01 1.84 1.418318097e+01 1.418318097e+01 1.86 1.284356377e+01 1.284356377e+01 1.88 1.156759745e+01 1.156759745e+01 1.90 1.039152041e+01 1.039152041e+01 1.92 9.278504321e+00 9.278504321e+00 1.94 8.224360253e+00 8.224360253e+00 1.96 7.228642850e+00 7.228642850e+00 1.98 6.289236503e+00 6.289236503e+00 2.00 5.403920081e+00 5.403920081e+00 2.02 4.570761995e+00 4.570761995e+00 2.04 3.788009690e+00 3.788009690e+00 2.06 3.053976064e+00 3.053976064e+00 2.08 2.366933388e+00 2.366933388e+00 2.10 1.725135457e+00 1.725135457e+00 2.12 1.126678554e+00 1.126678554e+00 2.14 5.700434213e-01 5.700434213e-01 2.16 5.326668127e-02 5.326668127e-02 2.18 -4.250734945e-01 -4.250734945e-01 2.20 -8.665923590e-01 -8.665923590e-01 2.22 -1.272985685e+00 -1.272985685e+00 2.24 -1.645840960e+00 -1.645840960e+00 2.26 -1.986862231e+00 -1.986862231e+00 2.28 -2.296246438e+00 -2.296246438e+00 2.30 -2.577172837e+00 -2.577172837e+00 2.32 -2.831277773e+00 -2.831277773e+00 2.34 -3.059963068e+00 -3.059963068e+00 2.36 -3.264623104e+00 -3.264623104e+00 2.38 -3.446728544e+00 -3.446728544e+00 2.40 -3.607637243e+00 -3.607637243e+00 2.42 -3.748688882e+00 -3.748688882e+00 2.44 -3.871123581e+00 -3.871123581e+00 2.46 -3.976148096e+00 -3.976148096e+00 2.48 -4.065022096e+00 -4.065022096e+00 2.50 -4.138722806e+00 -4.138722806e+00 2.52 -4.197855578e+00 -4.197855578e+00 2.54 -4.243887499e+00 -4.243887499e+00 2.56 -4.277846788e+00 -4.277846788e+00 2.58 -4.300608929e+00 -4.300608929e+00 2.60 -4.314637622e+00 -4.314637622e+00 2.62 -4.319667745e+00 -4.319667745e+00 2.64 -4.315914969e+00 -4.315914969e+00 2.66 -4.304251946e+00 -4.304251946e+00 2.68 -4.285366820e+00 -4.285366820e+00 2.70 -4.259847405e+00 -4.259847405e+00 2.72 -4.228298165e+00 -4.228298165e+00 2.74 -4.191287610e+00 -4.191287610e+00 2.76 -4.149347242e+00 -4.149347242e+00 2.78 -4.103188635e+00 -4.103188635e+00 2.80 -4.053240964e+00 -4.053240964e+00 2.82 -3.999741160e+00 -3.999741160e+00 2.84 -3.943100054e+00 -3.943100054e+00 2.86 -3.883519517e+00 -3.883519517e+00 2.88 -3.820216440e+00 -3.820216440e+00 2.90 -3.754961458e+00 -3.754961458e+00 2.92 -3.687638312e+00 -3.687638312e+00 2.94 -3.618633222e+00 -3.618633222e+00 2.96 -3.548488405e+00 -3.548488405e+00 2.98 -3.477436504e+00 -3.477436504e+00 3.00 -3.405694086e+00 -3.405694086e+00 3.02 -3.333461774e+00 -3.333461774e+00 3.04 -3.261143935e+00 -3.261143935e+00 3.06 -3.188963359e+00 -3.188963359e+00 3.08 -3.116780922e+00 -3.116780922e+00 3.10 -3.044723627e+00 -3.044723627e+00 3.12 -2.972920668e+00 -2.972920668e+00 3.14 -2.901487292e+00 -2.901487292e+00 3.16 -2.830527687e+00 -2.830527687e+00 3.18 -2.760135777e+00 -2.760135777e+00 3.20 -2.690395949e+00 -2.690395949e+00 3.22 -2.621383754e+00 -2.621383754e+00 3.24 -2.553160123e+00 -2.553160123e+00 3.26 -2.486121113e+00 -2.486121113e+00 3.28 -2.420082062e+00 -2.420082062e+00 3.30 -2.354973080e+00 -2.354973080e+00 3.32 -2.290835707e+00 -2.290835707e+00 3.34 -2.227706174e+00 -2.227706174e+00 3.36 -2.165615548e+00 -2.165615548e+00 3.38 -2.104590724e+00 -2.104590724e+00 3.40 -2.044664993e+00 -2.044664993e+00 3.42 -1.986008392e+00 -1.986008392e+00 3.44 -1.928480518e+00 -1.928480518e+00 3.46 -1.872061237e+00 -1.872061237e+00 3.48 -1.816710478e+00 -1.816710478e+00 3.50 -1.762374774e+00 -1.762374774e+00 3.52 -1.708941932e+00 -1.708941932e+00 3.54 -1.656493987e+00 -1.656493987e+00 3.56 -1.605191018e+00 -1.605191018e+00 3.58 -1.555015127e+00 -1.555015127e+00 3.60 -1.505900084e+00 -1.505900084e+00 3.62 -1.457860029e+00 -1.457860029e+00 3.64 -1.410946928e+00 -1.410946928e+00 3.66 -1.365188481e+00 -1.365188481e+00 3.68 -1.320550506e+00 -1.320550506e+00 3.70 -1.276996710e+00 -1.276996710e+00 3.72 -1.234501145e+00 -1.234501145e+00 3.74 -1.193040810e+00 -1.193040810e+00 3.76 -1.152612565e+00 -1.152612565e+00 3.78 -1.113218283e+00 -1.113218283e+00 3.80 -1.074855075e+00 -1.074855075e+00 3.82 -1.037490431e+00 -1.037490431e+00 3.84 -1.001100412e+00 -1.001100412e+00 3.86 -9.656812348e-01 -9.656812348e-01 3.88 -9.312253657e-01 -9.312253657e-01 3.90 -8.977118179e-01 -8.977118179e-01 3.92 -8.650871860e-01 -8.650871860e-01 3.94 -8.332551702e-01 -8.332551702e-01 3.96 -8.022721500e-01 -8.022721500e-01 3.98 -7.721816943e-01 -7.721816943e-01 4.00 -7.429440159e-01 -7.429440159e-01 4.02 -7.145970964e-01 -7.145970964e-01 4.04 -6.871917950e-01 -6.871917950e-01 4.06 -6.607884742e-01 -6.607884742e-01 4.08 -6.354894584e-01 -6.354894584e-01 4.10 -6.111413180e-01 -6.111413180e-01 4.12 -5.875904564e-01 -5.875904564e-01 4.14 -5.647887251e-01 -5.647887251e-01 4.16 -5.425749562e-01 -5.425749562e-01 4.18 -5.207745261e-01 -5.207745261e-01 4.20 -4.992635792e-01 -4.992635792e-01 4.22 -4.779587761e-01 -4.779587761e-01 4.24 -4.568087567e-01 -4.568087567e-01 4.26 -4.357867575e-01 -4.357867575e-01 4.28 -4.148491179e-01 -4.148491179e-01 4.30 -3.947262086e-01 -3.947262086e-01 4.32 -3.750655641e-01 -3.750655641e-01 4.34 -3.556389080e-01 -3.556389080e-01 4.36 -3.365273129e-01 -3.365273129e-01 4.38 -3.177702632e-01 -3.177702632e-01 4.40 -2.994587477e-01 -2.994587477e-01 4.42 -2.816675614e-01 -2.816675614e-01 4.44 -2.644517338e-01 -2.644517338e-01 4.46 -2.478499534e-01 -2.478499534e-01 4.48 -2.318874788e-01 -2.318874788e-01 4.50 -2.165785862e-01 -2.165785862e-01 4.52 -2.019286425e-01 -2.019286425e-01 4.54 -1.879358480e-01 -1.879358480e-01 4.56 -1.745926041e-01 -1.745926041e-01 4.58 -1.618788399e-01 -1.618788399e-01 4.60 -1.500095306e-01 -1.500095306e-01 4.62 -1.389421000e-01 -1.389421000e-01 4.64 -1.284239931e-01 -1.284239931e-01 4.66 -1.184431424e-01 -1.184431424e-01 4.68 -1.089787555e-01 -1.089787555e-01 4.70 -1.000095841e-01 -1.000095841e-01 4.72 -9.151423757e-02 -9.151423757e-02 4.74 -8.347140975e-02 -8.347140975e-02 4.76 -7.586006075e-02 -7.586006075e-02 4.78 -6.865955403e-02 -6.865955403e-02 4.80 -6.184506063e-02 -6.184506063e-02 4.82 -5.554083825e-02 -5.554083825e-02 4.84 -4.963353535e-02 -4.963353535e-02 4.86 -4.404664366e-02 -4.404664366e-02 4.88 -3.876368248e-02 -3.876368248e-02 4.90 -3.376884598e-02 -3.376884598e-02 4.92 -2.904626788e-02 -2.904626788e-02 4.94 -2.449357003e-02 -2.449357003e-02 4.96 -2.145799051e-02 -2.145799051e-02 4.98 -1.982833061e-02 -1.982833061e-02 5.00 -1.821114909e-02 -1.821114909e-02 5.02 -1.668754177e-02 -1.668754177e-02 5.04 -1.525290188e-02 -1.525290188e-02 5.06 -1.390222428e-02 -1.390222428e-02 5.08 -1.263076364e-02 -1.263076364e-02 5.10 -1.143402454e-02 -1.143402454e-02 5.12 -1.030775122e-02 -1.030775122e-02 5.14 -9.247917156e-03 -9.247917156e-03 5.16 -8.250714597e-03 -8.250714597e-03 5.18 -7.312544295e-03 -7.312544295e-03 5.20 -6.430005459e-03 -6.430005459e-03 5.22 -5.599885988e-03 -5.599885988e-03 5.24 -4.819152779e-03 -4.819152779e-03 5.26 -4.084933656e-03 -4.084933656e-03 5.28 -3.395104812e-03 -3.395104812e-03 5.30 -2.759682125e-03 -2.759682125e-03 5.32 -2.441882012e-03 -2.441882012e-03 5.34 -2.152048315e-03 -2.152048315e-03 5.36 -1.881633959e-03 -1.881633959e-03 5.38 -1.627395672e-03 -1.627395672e-03 5.40 -1.388396189e-03 -1.388396189e-03 5.42 -1.163750705e-03 -1.163750705e-03 5.44 -9.526240284e-04 -9.526240284e-04 5.46 -7.542279037e-04 -7.542279037e-04 5.48 -5.678184743e-04 -5.678184743e-04 5.50 -3.926938855e-04 -3.926938855e-04 5.52 -2.281919757e-04 -2.281919757e-04 5.54 -7.269631110e-05 -7.269631110e-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 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