# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuNi2 # 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 2026-08-31 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 4.243610266e+06 4.243610266e+06 0.88 3.850577140e+06 3.850577140e+06 0.90 3.492310135e+06 3.492310135e+06 0.92 3.165148255e+06 3.165148255e+06 0.94 2.865837360e+06 2.865837360e+06 0.96 2.591522396e+06 2.591522396e+06 0.98 2.339672898e+06 2.339672898e+06 1.00 2.108076781e+06 2.108076781e+06 1.02 1.894771071e+06 1.894771071e+06 1.04 1.698028953e+06 1.698028953e+06 1.06 1.516316555e+06 1.516316555e+06 1.08 1.348272537e+06 1.348272537e+06 1.10 1.192682145e+06 1.192682145e+06 1.12 1.048450096e+06 1.048450096e+06 1.14 9.145837770e+05 9.145837770e+05 1.16 7.901733699e+05 7.901733699e+05 1.18 6.744317563e+05 6.744317563e+05 1.20 5.666372071e+05 5.666372071e+05 1.22 4.661406316e+05 4.661406316e+05 1.24 3.725576399e+05 3.725576399e+05 1.26 2.930449864e+05 2.930449864e+05 1.28 2.302592446e+05 2.302592446e+05 1.30 1.812128797e+05 1.812128797e+05 1.32 1.428242276e+05 1.428242276e+05 1.34 1.127204497e+05 1.127204497e+05 1.36 8.907312997e+04 8.907312997e+04 1.38 7.046820630e+04 7.046820630e+04 1.40 5.580790438e+04 5.580790438e+04 1.42 4.423997148e+04 4.423997148e+04 1.44 3.509891947e+04 3.509891947e+04 1.46 2.786634424e+04 2.786634424e+04 1.48 2.213707893e+04 2.213707893e+04 1.50 1.759392059e+04 1.759392059e+04 1.52 1.398823578e+04 1.398823578e+04 1.54 1.112474802e+04 1.112474802e+04 1.56 8.849271759e+03 8.849271759e+03 1.58 7.040140925e+03 7.040140925e+03 1.60 5.601225717e+03 5.601225717e+03 1.62 4.456394525e+03 4.456394525e+03 1.64 3.545123901e+03 3.545123901e+03 1.66 2.819501304e+03 2.819501304e+03 1.68 2.241498733e+03 2.241498733e+03 1.70 1.781052386e+03 1.781052386e+03 1.72 1.414321478e+03 1.414321478e+03 1.74 1.122244998e+03 1.122244998e+03 1.76 8.896895549e+02 8.896895549e+02 1.78 7.045990651e+02 7.045990651e+02 1.80 5.573560462e+02 5.573560462e+02 1.82 4.403010759e+02 4.403010759e+02 1.84 3.473153806e+02 3.473153806e+02 1.86 2.735112330e+02 2.735112330e+02 1.88 2.149845802e+02 2.149845802e+02 1.90 1.686018277e+02 1.686018277e+02 1.92 1.318759067e+02 1.318759067e+02 1.94 1.028298335e+02 1.028298335e+02 1.96 7.987952481e+01 7.987952481e+01 1.98 6.177186702e+01 6.177186702e+01 2.00 4.750435702e+01 4.750435702e+01 2.02 3.627817669e+01 3.627817669e+01 2.04 2.745996023e+01 2.745996023e+01 2.06 2.054507228e+01 2.054507228e+01 2.08 1.513179763e+01 1.513179763e+01 2.10 1.090084621e+01 1.090084621e+01 2.12 7.598710645e+00 7.598710645e+00 2.14 5.024754115e+00 5.024754115e+00 2.16 3.020571884e+00 3.020571884e+00 2.18 1.461160953e+00 1.461160953e+00 2.20 2.481697333e-01 2.481697333e-01 2.22 -6.955050570e-01 -6.955050570e-01 2.24 -1.430155829e+00 -1.430155829e+00 2.26 -2.002861426e+00 -2.002861426e+00 2.28 -2.450191921e+00 -2.450191921e+00 2.30 -2.800491294e+00 -2.800491294e+00 2.32 -3.075661270e+00 -3.075661270e+00 2.34 -3.292554008e+00 -3.292554008e+00 2.36 -3.464078886e+00 -3.464078886e+00 2.38 -3.600079907e+00 -3.600079907e+00 2.40 -3.708029326e+00 -3.708029326e+00 2.42 -3.793574298e+00 -3.793574298e+00 2.44 -3.860952209e+00 -3.860952209e+00 2.46 -3.913317445e+00 -3.913317445e+00 2.48 -3.953059770e+00 -3.953059770e+00 2.50 -3.981975079e+00 -3.981975079e+00 2.52 -4.001405960e+00 -4.001405960e+00 2.54 -4.012375077e+00 -4.012375077e+00 2.56 -4.015601188e+00 -4.015601188e+00 2.58 -4.011692899e+00 -4.011692899e+00 2.60 -4.001167454e+00 -4.001167454e+00 2.62 -3.984416901e+00 -3.984416901e+00 2.64 -3.961777006e+00 -3.961777006e+00 2.66 -3.933607359e+00 -3.933607359e+00 2.68 -3.900247684e+00 -3.900247684e+00 2.70 -3.862026582e+00 -3.862026582e+00 2.72 -3.819267101e+00 -3.819267101e+00 2.74 -3.772289913e+00 -3.772289913e+00 2.76 -3.721414763e+00 -3.721414763e+00 2.78 -3.666960724e+00 -3.666960724e+00 2.80 -3.609245623e+00 -3.609245623e+00 2.82 -3.548584252e+00 -3.548584252e+00 2.84 -3.485272514e+00 -3.485272514e+00 2.86 -3.419610104e+00 -3.419610104e+00 2.88 -3.351896438e+00 -3.351896438e+00 2.90 -3.282422845e+00 -3.282422845e+00 2.92 -3.211471277e+00 -3.211471277e+00 2.94 -3.139313167e+00 -3.139313167e+00 2.96 -3.066169869e+00 -3.066169869e+00 2.98 -2.992236218e+00 -2.992236218e+00 3.00 -2.917675061e+00 -2.917675061e+00 3.02 -2.842692546e+00 -2.842692546e+00 3.04 -2.767493245e+00 -2.767493245e+00 3.06 -2.692259128e+00 -2.692259128e+00 3.08 -2.617115321e+00 -2.617115321e+00 3.10 -2.542218557e+00 -2.542218557e+00 3.12 -2.467721325e+00 -2.467721325e+00 3.14 -2.393764025e+00 -2.393764025e+00 3.16 -2.320475304e+00 -2.320475304e+00 3.18 -2.247972450e+00 -2.247972450e+00 3.20 -2.176361811e+00 -2.176361811e+00 3.22 -2.105739254e+00 -2.105739254e+00 3.24 -2.036190635e+00 -2.036190635e+00 3.26 -1.967792295e+00 -1.967792295e+00 3.28 -1.900611556e+00 -1.900611556e+00 3.30 -1.834707224e+00 -1.834707224e+00 3.32 -1.770130092e+00 -1.770130092e+00 3.34 -1.706923434e+00 -1.706923434e+00 3.36 -1.645123494e+00 -1.645123494e+00 3.38 -1.584759965e+00 -1.584759965e+00 3.40 -1.525856450e+00 -1.525856450e+00 3.42 -1.468430913e+00 -1.468430913e+00 3.44 -1.412496109e+00 -1.412496109e+00 3.46 -1.358050282e+00 -1.358050282e+00 3.48 -1.305060106e+00 -1.305060106e+00 3.50 -1.253522951e+00 -1.253522951e+00 3.52 -1.203436339e+00 -1.203436339e+00 3.54 -1.154794491e+00 -1.154794491e+00 3.56 -1.107588643e+00 -1.107588643e+00 3.58 -1.061807327e+00 -1.061807327e+00 3.60 -1.017436656e+00 -1.017436656e+00 3.62 -9.744605746e-01 -9.744605746e-01 3.64 -9.328611028e-01 -9.328611028e-01 3.66 -8.926185592e-01 -8.926185592e-01 3.68 -8.537117714e-01 -8.537117714e-01 3.70 -8.161182702e-01 -8.161182702e-01 3.72 -7.798144699e-01 -7.798144699e-01 3.74 -7.447758355e-01 -7.447758355e-01 3.76 -7.109770363e-01 -7.109770363e-01 3.78 -6.783920883e-01 -6.783920883e-01 3.80 -6.469944840e-01 -6.469944840e-01 3.82 -6.167573123e-01 -6.167573123e-01 3.84 -5.876533670e-01 -5.876533670e-01 3.86 -5.596552472e-01 -5.596552472e-01 3.88 -5.327354471e-01 -5.327354471e-01 3.90 -5.068664382e-01 -5.068664382e-01 3.92 -4.820207435e-01 -4.820207435e-01 3.94 -4.581710042e-01 -4.581710042e-01 3.96 -4.352900399e-01 -4.352900399e-01 3.98 -4.133509013e-01 -4.133509013e-01 4.00 -3.923269187e-01 -3.923269187e-01 4.02 -3.721917436e-01 -3.721917436e-01 4.04 -3.529193857e-01 -3.529193857e-01 4.06 -3.344842458e-01 -3.344842458e-01 4.08 -3.168611431e-01 -3.168611431e-01 4.10 -3.000253399e-01 -3.000253399e-01 4.12 -2.839525620e-01 -2.839525620e-01 4.14 -2.686190155e-01 -2.686190155e-01 4.16 -2.540014014e-01 -2.540014014e-01 4.18 -2.400769263e-01 -2.400769263e-01 4.20 -2.268233124e-01 -2.268233124e-01 4.22 -2.141940316e-01 -2.141940316e-01 4.24 -2.021433107e-01 -2.021433107e-01 4.26 -1.906524428e-01 -1.906524428e-01 4.28 -1.797031946e-01 -1.797031946e-01 4.30 -1.692778021e-01 -1.692778021e-01 4.32 -1.593567890e-01 -1.593567890e-01 4.34 -1.498991029e-01 -1.498991029e-01 4.36 -1.408826272e-01 -1.408826272e-01 4.38 -1.322926604e-01 -1.322926604e-01 4.40 -1.241149142e-01 -1.241149142e-01 4.42 -1.163355083e-01 -1.163355083e-01 4.44 -1.089409649e-01 -1.089409649e-01 4.46 -1.019180387e-01 -1.019180387e-01 4.48 -9.525398805e-02 -9.525398805e-02 4.50 -8.893663170e-02 -8.893663170e-02 4.52 -8.295411890e-02 -8.295411890e-02 4.54 -7.729488120e-02 -7.729488120e-02 4.56 -7.194751941e-02 -7.194751941e-02 4.58 -6.690132628e-02 -6.690132628e-02 4.60 -6.214591330e-02 -6.214591330e-02 4.62 -5.767116033e-02 -5.767116033e-02 4.64 -5.346722632e-02 -5.346722632e-02 4.66 -4.952455612e-02 -4.952455612e-02 4.68 -4.583388407e-02 -4.583388407e-02 4.70 -4.238623491e-02 -4.238623491e-02 4.72 -3.917292255e-02 -3.917292255e-02 4.74 -3.618554716e-02 -3.618554716e-02 4.76 -3.341599077e-02 -3.341599077e-02 4.78 -3.085641193e-02 -3.085641193e-02 4.80 -2.849924032e-02 -2.849924032e-02 4.82 -2.633716748e-02 -2.633716748e-02 4.84 -2.436314034e-02 -2.436314034e-02 4.86 -2.256481648e-02 -2.256481648e-02 4.88 -2.090279026e-02 -2.090279026e-02 4.90 -1.935803310e-02 -1.935803310e-02 4.92 -1.792248824e-02 -1.792248824e-02 4.94 -1.659245394e-02 -1.659245394e-02 4.96 -1.536434146e-02 -1.536434146e-02 4.98 -1.423446253e-02 -1.423446253e-02 5.00 -1.318022779e-02 -1.318022779e-02 5.02 -1.218014059e-02 -1.218014059e-02 5.04 -1.123239103e-02 -1.123239103e-02 5.06 -1.033521366e-02 -1.033521366e-02 5.08 -9.486888649e-03 -9.486888649e-03 5.10 -8.685742721e-03 -8.685742721e-03 5.12 -7.930149697e-03 -7.930149697e-03 5.14 -7.218530742e-03 -7.218530742e-03 5.16 -6.549354340e-03 -6.549354340e-03 5.18 -5.921136048e-03 -5.921136048e-03 5.20 -5.332438055e-03 -5.332438055e-03 5.22 -4.781868592e-03 -4.781868592e-03 5.24 -4.268081205e-03 -4.268081205e-03 5.26 -3.789773922e-03 -3.789773922e-03 5.28 -3.345688342e-03 -3.345688342e-03 5.30 -2.934608641e-03 -2.934608641e-03 5.32 -2.555360546e-03 -2.555360546e-03 5.34 -2.206810248e-03 -2.206810248e-03 5.36 -1.887863306e-03 -1.887863306e-03 5.38 -1.597463522e-03 -1.597463522e-03 5.40 -1.334591813e-03 -1.334591813e-03 5.42 -1.098265077e-03 -1.098265077e-03 5.44 -8.875350651e-04 -8.875350651e-04 5.46 -7.014872647e-04 -7.014872647e-04 5.48 -5.392397906e-04 -5.392397906e-04 5.50 -3.999422986e-04 -3.999422986e-04 5.52 -2.827749158e-04 -2.827749158e-04 5.54 -1.869471941e-04 -1.869471941e-04 5.56 -1.116970871e-04 -1.116970871e-04 5.58 -5.628995270e-05 -5.628995270e-05 5.60 -2.001758173e-05 -2.001758173e-05 5.62 -2.197254084e-06 -2.197254084e-06 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