# 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 = CuPdPt2 # 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 5.264384656e+06 5.264384656e+06 0.88 4.814115834e+06 4.814115834e+06 0.90 4.403913414e+06 4.403913414e+06 0.92 4.029524766e+06 4.029524766e+06 0.94 3.687193385e+06 3.687193385e+06 0.96 3.373622251e+06 3.373622251e+06 0.98 3.085919952e+06 3.085919952e+06 1.00 2.821562568e+06 2.821562568e+06 1.02 2.578301474e+06 2.578301474e+06 1.04 2.354114363e+06 2.354114363e+06 1.06 2.147215172e+06 2.147215172e+06 1.08 1.956032644e+06 1.956032644e+06 1.10 1.779147490e+06 1.779147490e+06 1.12 1.615304595e+06 1.615304595e+06 1.14 1.463369444e+06 1.463369444e+06 1.16 1.322297304e+06 1.322297304e+06 1.18 1.191172332e+06 1.191172332e+06 1.20 1.069184194e+06 1.069184194e+06 1.22 9.555939239e+05 9.555939239e+05 1.24 8.497036892e+05 8.497036892e+05 1.26 7.509053541e+05 7.509053541e+05 1.28 6.586442169e+05 6.586442169e+05 1.30 5.724244709e+05 5.724244709e+05 1.32 4.917813394e+05 4.917813394e+05 1.34 4.162858241e+05 4.162858241e+05 1.36 3.455624942e+05 3.455624942e+05 1.38 2.820114024e+05 2.820114024e+05 1.40 2.284946610e+05 2.284946610e+05 1.42 1.832351461e+05 1.832351461e+05 1.44 1.455536729e+05 1.455536729e+05 1.46 1.156115184e+05 1.156115184e+05 1.48 9.190770715e+04 9.190770715e+04 1.50 7.311975606e+04 7.311975606e+04 1.52 5.821274093e+04 5.821274093e+04 1.54 4.637389225e+04 4.637389225e+04 1.56 3.696289830e+04 3.696289830e+04 1.58 2.947459581e+04 2.947459581e+04 1.60 2.351059490e+04 2.351059490e+04 1.62 1.875738231e+04 1.875738231e+04 1.64 1.496739393e+04 1.496739393e+04 1.66 1.194420938e+04 1.194420938e+04 1.68 9.531582980e+03 9.531582980e+03 1.70 7.605540742e+03 7.605540742e+03 1.72 6.067698311e+03 6.067698311e+03 1.74 4.839691753e+03 4.839691753e+03 1.76 3.859062584e+03 3.859062584e+03 1.78 3.075911881e+03 3.075911881e+03 1.80 2.450436064e+03 2.450436064e+03 1.82 1.950905804e+03 1.950905804e+03 1.84 1.552039786e+03 1.552039786e+03 1.86 1.233680688e+03 1.233680688e+03 1.88 9.796996915e+02 9.796996915e+02 1.90 7.771882637e+02 7.771882637e+02 1.92 6.158084201e+02 6.158084201e+02 1.94 4.872793630e+02 4.872793630e+02 1.96 3.849872494e+02 3.849872494e+02 1.98 3.036464536e+02 3.036464536e+02 2.00 2.390195783e+02 2.390195783e+02 2.02 1.877201849e+02 1.877201849e+02 2.04 1.470442168e+02 1.470442168e+02 2.06 1.148284634e+02 1.148284634e+02 2.08 8.934324992e+01 8.934324992e+01 2.10 6.920228495e+01 6.920228495e+01 2.12 5.330190100e+01 5.330190100e+01 2.14 4.076533996e+01 4.076533996e+01 2.16 3.089288144e+01 3.089288144e+01 2.18 2.312718731e+01 2.312718731e+01 2.20 1.702675538e+01 1.702675538e+01 2.22 1.224080283e+01 1.224080283e+01 2.24 8.490601748e+00 8.490601748e+00 2.26 5.555066870e+00 5.555066870e+00 2.28 3.259167529e+00 3.259167529e+00 2.30 1.464617392e+00 1.464617392e+00 2.32 6.240068787e-02 6.240068787e-02 2.34 -1.033222233e+00 -1.033222233e+00 2.36 -1.889516491e+00 -1.889516491e+00 2.38 -2.559102882e+00 -2.559102882e+00 2.40 -3.083027836e+00 -3.083027836e+00 2.42 -3.493232511e+00 -3.493232511e+00 2.44 -3.814498812e+00 -3.814498812e+00 2.46 -4.065996676e+00 -4.065996676e+00 2.48 -4.262511861e+00 -4.262511861e+00 2.50 -4.415415481e+00 -4.415415481e+00 2.52 -4.533420731e+00 -4.533420731e+00 2.54 -4.623210916e+00 -4.623210916e+00 2.56 -4.689905322e+00 -4.689905322e+00 2.58 -4.737427109e+00 -4.737427109e+00 2.60 -4.768791518e+00 -4.768791518e+00 2.62 -4.786296739e+00 -4.786296739e+00 2.64 -4.791717843e+00 -4.791717843e+00 2.66 -4.786483353e+00 -4.786483353e+00 2.68 -4.771741047e+00 -4.771741047e+00 2.70 -4.748421190e+00 -4.748421190e+00 2.72 -4.717298787e+00 -4.717298787e+00 2.74 -4.679043218e+00 -4.679043218e+00 2.76 -4.634261608e+00 -4.634261608e+00 2.78 -4.583506798e+00 -4.583506798e+00 2.80 -4.527292010e+00 -4.527292010e+00 2.82 -4.466052045e+00 -4.466052045e+00 2.84 -4.400181020e+00 -4.400181020e+00 2.86 -4.330063011e+00 -4.330063011e+00 2.88 -4.256116550e+00 -4.256116550e+00 2.90 -4.178749214e+00 -4.178749214e+00 2.92 -4.098355530e+00 -4.098355530e+00 2.94 -4.015316927e+00 -4.015316927e+00 2.96 -3.930001307e+00 -3.930001307e+00 2.98 -3.842762434e+00 -3.842762434e+00 3.00 -3.753939260e+00 -3.753939260e+00 3.02 -3.663855254e+00 -3.663855254e+00 3.04 -3.572817820e+00 -3.572817820e+00 3.06 -3.481110507e+00 -3.481110507e+00 3.08 -3.388965844e+00 -3.388965844e+00 3.10 -3.296632559e+00 -3.296632559e+00 3.12 -3.204348557e+00 -3.204348557e+00 3.14 -3.112334843e+00 -3.112334843e+00 3.16 -3.020795743e+00 -3.020795743e+00 3.18 -2.929919223e+00 -2.929919223e+00 3.20 -2.839877296e+00 -2.839877296e+00 3.22 -2.750826512e+00 -2.750826512e+00 3.24 -2.662908503e+00 -2.662908503e+00 3.26 -2.576250582e+00 -2.576250582e+00 3.28 -2.490966382e+00 -2.490966382e+00 3.30 -2.407136213e+00 -2.407136213e+00 3.32 -2.324812830e+00 -2.324812830e+00 3.34 -2.244017328e+00 -2.244017328e+00 3.36 -2.164801349e+00 -2.164801349e+00 3.38 -2.087222908e+00 -2.087222908e+00 3.40 -2.011330745e+00 -2.011330745e+00 3.42 -1.937164946e+00 -1.937164946e+00 3.44 -1.864757562e+00 -1.864757562e+00 3.46 -1.794133202e+00 -1.794133202e+00 3.48 -1.725309610e+00 -1.725309610e+00 3.50 -1.658298219e+00 -1.658298219e+00 3.52 -1.593104679e+00 -1.593104679e+00 3.54 -1.529729361e+00 -1.529729361e+00 3.56 -1.468167837e+00 -1.468167837e+00 3.58 -1.408411335e+00 -1.408411335e+00 3.60 -1.350447165e+00 -1.350447165e+00 3.62 -1.294259121e+00 -1.294259121e+00 3.64 -1.239827860e+00 -1.239827860e+00 3.66 -1.187131255e+00 -1.187131255e+00 3.68 -1.136144722e+00 -1.136144722e+00 3.70 -1.086841530e+00 -1.086841530e+00 3.72 -1.039193081e+00 -1.039193081e+00 3.74 -9.931691758e-01 -9.931691758e-01 3.76 -9.487382561e-01 -9.487382561e-01 3.78 -9.058676271e-01 -9.058676271e-01 3.80 -8.645236633e-01 -8.645236633e-01 3.82 -8.246719966e-01 -8.246719966e-01 3.84 -7.862776878e-01 -7.862776878e-01 3.86 -7.493053833e-01 -7.493053833e-01 3.88 -7.137194567e-01 -7.137194567e-01 3.90 -6.794841379e-01 -6.794841379e-01 3.92 -6.465636290e-01 -6.465636290e-01 3.94 -6.149222087e-01 -6.149222087e-01 3.96 -5.845243260e-01 -5.845243260e-01 3.98 -5.553346838e-01 -5.553346838e-01 4.00 -5.273183129e-01 -5.273183129e-01 4.02 -5.004406374e-01 -5.004406374e-01 4.04 -4.746675328e-01 -4.746675328e-01 4.06 -4.499653758e-01 -4.499653758e-01 4.08 -4.263010878e-01 -4.263010878e-01 4.10 -4.036421728e-01 -4.036421728e-01 4.12 -3.819567485e-01 -3.819567485e-01 4.14 -3.612135733e-01 -3.612135733e-01 4.16 -3.413820677e-01 -3.413820677e-01 4.18 -3.224323322e-01 -3.224323322e-01 4.20 -3.043351609e-01 -3.043351609e-01 4.22 -2.870620518e-01 -2.870620518e-01 4.24 -2.705852132e-01 -2.705852132e-01 4.26 -2.548775685e-01 -2.548775685e-01 4.28 -2.399127576e-01 -2.399127576e-01 4.30 -2.256651358e-01 -2.256651358e-01 4.32 -2.121082464e-01 -2.121082464e-01 4.34 -1.992009121e-01 -1.992009121e-01 4.36 -1.869155683e-01 -1.869155683e-01 4.38 -1.752302133e-01 -1.752302133e-01 4.40 -1.641235065e-01 -1.641235065e-01 4.42 -1.535747588e-01 -1.535747588e-01 4.44 -1.435639217e-01 -1.435639217e-01 4.46 -1.340715761e-01 -1.340715761e-01 4.48 -1.250789207e-01 -1.250789207e-01 4.50 -1.165677589e-01 -1.165677589e-01 4.52 -1.085204861e-01 -1.085204861e-01 4.54 -1.009200766e-01 -1.009200766e-01 4.56 -9.375006980e-02 -9.375006980e-02 4.58 -8.699455647e-02 -8.699455647e-02 4.60 -8.063816501e-02 -8.063816501e-02 4.62 -7.466604741e-02 -7.466604741e-02 4.64 -6.906386523e-02 -6.906386523e-02 4.66 -6.380895621e-02 -6.380895621e-02 4.68 -5.887587418e-02 -5.887587418e-02 4.70 -5.424426896e-02 -5.424426896e-02 4.72 -4.988249948e-02 -4.988249948e-02 4.74 -4.577972638e-02 -4.577972638e-02 4.76 -4.192647657e-02 -4.192647657e-02 4.78 -3.831360482e-02 -3.831360482e-02 4.80 -3.493228384e-02 -3.493228384e-02 4.82 -3.177399448e-02 -3.177399448e-02 4.84 -2.883039538e-02 -2.883039538e-02 4.86 -2.609315056e-02 -2.609315056e-02 4.88 -2.355472784e-02 -2.355472784e-02 4.90 -2.120788962e-02 -2.120788962e-02 4.92 -1.904575515e-02 -1.904575515e-02 4.94 -1.706161131e-02 -1.706161131e-02 4.96 -1.524892485e-02 -1.524892485e-02 4.98 -1.360135188e-02 -1.360135188e-02 5.00 -1.209050755e-02 -1.209050755e-02 5.02 -1.068922868e-02 -1.068922868e-02 5.04 -9.393262761e-03 -9.393262761e-03 5.06 -8.198509232e-03 -8.198509232e-03 5.08 -7.101016693e-03 -7.101016693e-03 5.10 -6.096979860e-03 -6.096979860e-03 5.12 -5.182736141e-03 -5.182736141e-03 5.14 -4.354761921e-03 -4.354761921e-03 5.16 -3.609668648e-03 -3.609668648e-03 5.18 -2.944198764e-03 -2.944198764e-03 5.20 -2.355221546e-03 -2.355221546e-03 5.22 -1.839728894e-03 -1.839728894e-03 5.24 -1.394831102e-03 -1.394831102e-03 5.26 -1.017752650e-03 -1.017752650e-03 5.28 -7.058280299e-04 -7.058280299e-04 5.30 -4.564976371e-04 -4.564976371e-04 5.32 -2.673037350e-04 -2.673037350e-04 5.34 -1.358865112e-04 -1.358865112e-04 5.36 -5.998002843e-05 -5.998002843e-05 5.38 -2.127281584e-05 -2.127281584e-05 5.40 -2.328870537e-06 -2.328870537e-06 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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 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