# 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 = CuNi2Pd # 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 3.654363532e+06 3.654363532e+06 0.88 3.320114862e+06 3.320114862e+06 0.90 3.015429712e+06 3.015429712e+06 0.92 2.737182740e+06 2.737182740e+06 0.94 2.482603281e+06 2.482603281e+06 0.96 2.249252624e+06 2.249252624e+06 0.98 2.035006443e+06 2.035006443e+06 1.00 1.837992762e+06 1.837992762e+06 1.02 1.656550852e+06 1.656550852e+06 1.04 1.489179669e+06 1.489179669e+06 1.06 1.334572450e+06 1.334572450e+06 1.08 1.191586827e+06 1.191586827e+06 1.10 1.059188094e+06 1.059188094e+06 1.12 9.364537415e+05 9.364537415e+05 1.14 8.225398752e+05 8.225398752e+05 1.16 7.166620652e+05 7.166620652e+05 1.18 6.181527533e+05 6.181527533e+05 1.20 5.264053547e+05 5.264053547e+05 1.22 4.408765061e+05 4.408765061e+05 1.24 3.610474730e+05 3.610474730e+05 1.26 2.874879555e+05 2.874879555e+05 1.28 2.263108025e+05 2.263108025e+05 1.30 1.782306751e+05 1.782306751e+05 1.32 1.405736258e+05 1.405736258e+05 1.34 1.110230778e+05 1.110230778e+05 1.36 8.779370447e+04 8.779370447e+04 1.38 6.950593135e+04 6.950593135e+04 1.40 5.508770282e+04 5.508770282e+04 1.42 4.370342075e+04 4.370342075e+04 1.44 3.470056239e+04 3.470056239e+04 1.46 2.757235616e+04 2.757235616e+04 1.48 2.192182768e+04 2.192182768e+04 1.50 1.743800702e+04 1.743800702e+04 1.52 1.387706658e+04 1.387706658e+04 1.54 1.104712578e+04 1.104712578e+04 1.56 8.796600723e+03 8.796600723e+03 1.58 7.005627458e+03 7.005627458e+03 1.60 5.579379017e+03 5.579379017e+03 1.62 4.443205546e+03 4.443205546e+03 1.64 3.537809995e+03 3.537809995e+03 1.66 2.816177230e+03 2.816177230e+03 1.68 2.240886316e+03 2.240886316e+03 1.70 1.782209270e+03 1.782209270e+03 1.72 1.416561812e+03 1.416561812e+03 1.74 1.125071778e+03 1.125071778e+03 1.76 8.927594200e+02 8.927594200e+02 1.78 7.076752972e+02 7.076752972e+02 1.80 5.602705357e+02 5.602705357e+02 1.82 4.429239995e+02 4.429239995e+02 1.84 3.495792616e+02 3.495792616e+02 1.86 2.753929535e+02 2.753929535e+02 1.88 2.164901317e+02 2.164901317e+02 1.90 1.697595756e+02 1.697595756e+02 1.92 1.327225694e+02 1.327225694e+02 1.94 1.034059571e+02 1.034059571e+02 1.96 8.022992741e+01 8.022992741e+01 1.98 6.193664914e+01 6.193664914e+01 2.00 4.751817990e+01 4.751817990e+01 2.02 3.617199550e+01 3.617199550e+01 2.04 2.726028168e+01 2.726028168e+01 2.06 2.027430411e+01 2.027430411e+01 2.08 1.480879553e+01 1.480879553e+01 2.10 1.054082012e+01 1.054082012e+01 2.12 7.214460412e+00 7.214460412e+00 2.14 4.627149558e+00 4.627149558e+00 2.16 2.618432758e+00 2.618432758e+00 2.18 1.062100696e+00 1.062100696e+00 2.20 -1.412973585e-01 -1.412973585e-01 2.22 -1.070035736e+00 -1.070035736e+00 2.24 -1.785574948e+00 -1.785574948e+00 2.26 -2.336019646e+00 -2.336019646e+00 2.28 -2.758890778e+00 -2.758890778e+00 2.30 -3.083344629e+00 -3.083344629e+00 2.32 -3.331946157e+00 -3.331946157e+00 2.34 -3.522075995e+00 -3.522075995e+00 2.36 -3.667061584e+00 -3.667061584e+00 2.38 -3.777082240e+00 -3.777082240e+00 2.40 -3.859868703e+00 -3.859868703e+00 2.42 -3.921262229e+00 -3.921262229e+00 2.44 -3.965640990e+00 -3.965640990e+00 2.46 -3.996259454e+00 -3.996259454e+00 2.48 -4.015570890e+00 -4.015570890e+00 2.50 -4.025401567e+00 -4.025401567e+00 2.52 -4.027092832e+00 -4.027092832e+00 2.54 -4.021656102e+00 -4.021656102e+00 2.56 -4.009771092e+00 -4.009771092e+00 2.58 -3.992011825e+00 -3.992011825e+00 2.60 -3.968857393e+00 -3.968857393e+00 2.62 -3.940655731e+00 -3.940655731e+00 2.64 -3.907694547e+00 -3.907694547e+00 2.66 -3.870282163e+00 -3.870282163e+00 2.68 -3.828705339e+00 -3.828705339e+00 2.70 -3.783223971e+00 -3.783223971e+00 2.72 -3.734091988e+00 -3.734091988e+00 2.74 -3.681576120e+00 -3.681576120e+00 2.76 -3.625943012e+00 -3.625943012e+00 2.78 -3.567459882e+00 -3.567459882e+00 2.80 -3.506394189e+00 -3.506394189e+00 2.82 -3.442960007e+00 -3.442960007e+00 2.84 -3.377375343e+00 -3.377375343e+00 2.86 -3.309898826e+00 -3.309898826e+00 2.88 -3.240784298e+00 -3.240784298e+00 2.90 -3.170279608e+00 -3.170279608e+00 2.92 -3.098625475e+00 -3.098625475e+00 2.94 -3.026054445e+00 -3.026054445e+00 2.96 -2.952789988e+00 -2.952789988e+00 2.98 -2.879034417e+00 -2.879034417e+00 3.00 -2.804921969e+00 -2.804921969e+00 3.02 -2.730631189e+00 -2.730631189e+00 3.04 -2.656340855e+00 -2.656340855e+00 3.06 -2.582209032e+00 -2.582209032e+00 3.08 -2.508338591e+00 -2.508338591e+00 3.10 -2.434865820e+00 -2.434865820e+00 3.12 -2.361924422e+00 -2.361924422e+00 3.14 -2.289637552e+00 -2.289637552e+00 3.16 -2.218118058e+00 -2.218118058e+00 3.18 -2.147468776e+00 -2.147468776e+00 3.20 -2.077782871e+00 -2.077782871e+00 3.22 -2.009144198e+00 -2.009144198e+00 3.24 -1.941627697e+00 -1.941627697e+00 3.26 -1.875299806e+00 -1.875299806e+00 3.28 -1.810218884e+00 -1.810218884e+00 3.30 -1.746412698e+00 -1.746412698e+00 3.32 -1.683890606e+00 -1.683890606e+00 3.34 -1.622690999e+00 -1.622690999e+00 3.36 -1.562846325e+00 -1.562846325e+00 3.38 -1.504383097e+00 -1.504383097e+00 3.40 -1.447322303e+00 -1.447322303e+00 3.42 -1.391679795e+00 -1.391679795e+00 3.44 -1.337466672e+00 -1.337466672e+00 3.46 -1.284689644e+00 -1.284689644e+00 3.48 -1.233351387e+00 -1.233351387e+00 3.50 -1.183450883e+00 -1.183450883e+00 3.52 -1.134983735e+00 -1.134983735e+00 3.54 -1.087942479e+00 -1.087942479e+00 3.56 -1.042316871e+00 -1.042316871e+00 3.58 -9.980941593e-01 -9.980941593e-01 3.60 -9.552593455e-01 -9.552593455e-01 3.62 -9.137954232e-01 -9.137954232e-01 3.64 -8.736836065e-01 -8.736836065e-01 3.66 -8.349035413e-01 -8.349035413e-01 3.68 -7.974335026e-01 -7.974335026e-01 3.70 -7.612505787e-01 -7.612505787e-01 3.72 -7.263308409e-01 -7.263308409e-01 3.74 -6.926495016e-01 -6.926495016e-01 3.76 -6.601810598e-01 -6.601810598e-01 3.78 -6.288994352e-01 -6.288994352e-01 3.80 -5.987780909e-01 -5.987780909e-01 3.82 -5.697901469e-01 -5.697901469e-01 3.84 -5.419084829e-01 -5.419084829e-01 3.86 -5.151058322e-01 -5.151058322e-01 3.88 -4.893548672e-01 -4.893548672e-01 3.90 -4.646282769e-01 -4.646282769e-01 3.92 -4.408988366e-01 -4.408988366e-01 3.94 -4.181394705e-01 -4.181394705e-01 3.96 -3.963233084e-01 -3.963233084e-01 3.98 -3.754237357e-01 -3.754237357e-01 4.00 -3.554144377e-01 -3.554144377e-01 4.02 -3.362694395e-01 -3.362694395e-01 4.04 -3.179631400e-01 -3.179631400e-01 4.06 -3.004703422e-01 -3.004703422e-01 4.08 -2.837662792e-01 -2.837662792e-01 4.10 -2.678266361e-01 -2.678266361e-01 4.12 -2.526275690e-01 -2.526275690e-01 4.14 -2.381457203e-01 -2.381457203e-01 4.16 -2.243582315e-01 -2.243582315e-01 4.18 -2.112427530e-01 -2.112427530e-01 4.20 -1.987774524e-01 -1.987774524e-01 4.22 -1.869161193e-01 -1.869161193e-01 4.24 -1.756133032e-01 -1.756133032e-01 4.26 -1.648507598e-01 -1.648507598e-01 4.28 -1.546107164e-01 -1.546107164e-01 4.30 -1.448758670e-01 -1.448758670e-01 4.32 -1.356278233e-01 -1.356278233e-01 4.34 -1.268330277e-01 -1.268330277e-01 4.36 -1.184714922e-01 -1.184714922e-01 4.38 -1.105286149e-01 -1.105286149e-01 4.40 -1.029902081e-01 -1.029902081e-01 4.42 -9.584249361e-02 -9.584249361e-02 4.44 -8.907209682e-02 -8.907209682e-02 4.46 -8.266596755e-02 -8.266596755e-02 4.48 -7.661142986e-02 -7.661142986e-02 4.50 -7.089613363e-02 -7.089613363e-02 4.52 -6.550845910e-02 -6.550845910e-02 4.54 -6.043710257e-02 -6.043710257e-02 4.56 -5.567104471e-02 -5.567104471e-02 4.58 -5.119956454e-02 -5.119956454e-02 4.60 -4.701224854e-02 -4.701224854e-02 4.62 -4.309899582e-02 -4.309899582e-02 4.64 -3.945001994e-02 -3.945001994e-02 4.66 -3.604696024e-02 -3.604696024e-02 4.68 -3.286850378e-02 -3.286850378e-02 4.70 -2.990659174e-02 -2.990659174e-02 4.72 -2.715352541e-02 -2.715352541e-02 4.74 -2.460185952e-02 -2.460185952e-02 4.76 -2.224439824e-02 -2.224439824e-02 4.78 -2.007418856e-02 -2.007418856e-02 4.80 -1.808451354e-02 -1.808451354e-02 4.82 -1.626888551e-02 -1.626888551e-02 4.84 -1.462092601e-02 -1.462092601e-02 4.86 -1.312952333e-02 -1.312952333e-02 4.88 -1.176155124e-02 -1.176155124e-02 4.90 -1.050836080e-02 -1.050836080e-02 4.92 -9.366108914e-03 -9.366108914e-03 4.94 -8.331023732e-03 -8.331023732e-03 4.96 -7.399416114e-03 -7.399416114e-03 4.98 -6.567688468e-03 -6.567688468e-03 5.00 -5.813090058e-03 -5.813090058e-03 5.02 -5.113856209e-03 -5.113856209e-03 5.04 -4.467988042e-03 -4.467988042e-03 5.06 -3.873551739e-03 -3.873551739e-03 5.08 -3.328677744e-03 -3.328677744e-03 5.10 -2.831559871e-03 -2.831559871e-03 5.12 -2.380454199e-03 -2.380454199e-03 5.14 -1.973677797e-03 -1.973677797e-03 5.16 -1.609607312e-03 -1.609607312e-03 5.18 -1.286677462e-03 -1.286677462e-03 5.20 -1.003379440e-03 -1.003379440e-03 5.22 -7.582592757e-04 -7.582592757e-04 5.24 -5.499161565e-04 -5.499161565e-04 5.26 -3.770007280e-04 -3.770007280e-04 5.28 -2.382133928e-04 -2.382133928e-04 5.30 -1.323026138e-04 -1.323026138e-04 5.32 -5.806323222e-05 -5.806323222e-05 5.34 -1.433480991e-05 -1.433480991e-05 5.36 1.764765434e-10 1.764765434e-10 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 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 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