# 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 = CuNiPd2 # 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 3.024608505e+06 3.024608505e+06 0.88 2.758741403e+06 2.758741403e+06 0.90 2.516314561e+06 2.516314561e+06 0.92 2.294846733e+06 2.294846733e+06 0.94 2.092157566e+06 2.092157566e+06 0.96 1.906299475e+06 1.906299475e+06 0.98 1.735593385e+06 1.735593385e+06 1.00 1.578553962e+06 1.578553962e+06 1.02 1.433872290e+06 1.433872290e+06 1.04 1.300358755e+06 1.300358755e+06 1.06 1.176966726e+06 1.176966726e+06 1.08 1.062780274e+06 1.062780274e+06 1.10 9.569680319e+05 9.569680319e+05 1.12 8.588062395e+05 8.588062395e+05 1.14 7.676442188e+05 7.676442188e+05 1.16 6.828762971e+05 6.828762971e+05 1.18 6.039696681e+05 6.039696681e+05 1.20 5.304507504e+05 5.304507504e+05 1.22 4.618815792e+05 4.618815792e+05 1.24 3.978401547e+05 3.978401547e+05 1.26 3.379767706e+05 3.379767706e+05 1.28 2.819748534e+05 2.819748534e+05 1.30 2.299339225e+05 2.299339225e+05 1.32 1.836116796e+05 1.836116796e+05 1.34 1.460369799e+05 1.460369799e+05 1.36 1.163161750e+05 1.163161750e+05 1.38 9.276869578e+04 9.276869578e+04 1.40 7.408213183e+04 7.408213183e+04 1.42 5.923018785e+04 5.923018785e+04 1.44 4.740609438e+04 4.740609438e+04 1.46 3.797815929e+04 3.797815929e+04 1.48 3.045110188e+04 3.045110188e+04 1.50 2.443484760e+04 2.443484760e+04 1.52 1.962119555e+04 1.962119555e+04 1.54 1.576614746e+04 1.576614746e+04 1.56 1.267593542e+04 1.267593542e+04 1.58 1.019645773e+04 1.019645773e+04 1.60 8.204413082e+03 8.204413082e+03 1.62 6.603000123e+03 6.603000123e+03 1.64 5.315009315e+03 5.315009315e+03 1.66 4.278665614e+03 4.278665614e+03 1.68 3.444488610e+03 3.444488610e+03 1.70 2.772841518e+03 2.772841518e+03 1.72 2.231938174e+03 2.231938174e+03 1.74 1.796189362e+03 1.796189362e+03 1.76 1.445103662e+03 1.445103662e+03 1.78 1.162192517e+03 1.162192517e+03 1.80 9.341606597e+02 9.341606597e+02 1.82 7.502944008e+02 7.502944008e+02 1.84 6.020836775e+02 6.020836775e+02 1.86 4.826628533e+02 4.826628533e+02 1.88 3.864844675e+02 3.864844675e+02 1.90 3.090564163e+02 3.090564163e+02 1.92 2.467531499e+02 2.467531499e+02 1.94 1.966506483e+02 1.966506483e+02 1.96 1.563761581e+02 1.563761581e+02 1.98 1.240301407e+02 1.240301407e+02 2.00 9.807712917e+01 9.807712917e+01 2.02 7.727543046e+01 7.727543046e+01 2.04 6.062142573e+01 6.062142573e+01 2.06 4.730391678e+01 4.730391678e+01 2.08 3.666763782e+01 3.666763782e+01 2.10 2.818342020e+01 2.818342020e+01 2.12 2.142452422e+01 2.142452422e+01 2.14 1.604681483e+01 1.604681483e+01 2.16 1.177175727e+01 1.177175727e+01 2.18 8.378425500e+00 8.378425500e+00 2.20 5.689634584e+00 5.689634584e+00 2.22 3.562975558e+00 3.562975558e+00 2.24 1.884056485e+00 1.884056485e+00 2.26 5.611494449e-01 5.611494449e-01 2.28 -4.791628393e-01 -4.791628393e-01 2.30 -1.295524750e+00 -1.295524750e+00 2.32 -1.934680287e+00 -1.934680287e+00 2.34 -2.433791903e+00 -2.433791903e+00 2.36 -2.822334921e+00 -2.822334921e+00 2.38 -3.123644106e+00 -3.123644106e+00 2.40 -3.356136775e+00 -3.356136775e+00 2.42 -3.534309133e+00 -3.534309133e+00 2.44 -3.669536062e+00 -3.669536062e+00 2.46 -3.770711780e+00 -3.770711780e+00 2.48 -3.844783480e+00 -3.844783480e+00 2.50 -3.897159732e+00 -3.897159732e+00 2.52 -3.932023772e+00 -3.932023772e+00 2.54 -3.952632301e+00 -3.952632301e+00 2.56 -3.961478119e+00 -3.961478119e+00 2.58 -3.960517565e+00 -3.960517565e+00 2.60 -3.951283479e+00 -3.951283479e+00 2.62 -3.934932294e+00 -3.934932294e+00 2.64 -3.912357780e+00 -3.912357780e+00 2.66 -3.884311147e+00 -3.884311147e+00 2.68 -3.851401057e+00 -3.851401057e+00 2.70 -3.814101636e+00 -3.814101636e+00 2.72 -3.772808344e+00 -3.772808344e+00 2.74 -3.727888735e+00 -3.727888735e+00 2.76 -3.679669947e+00 -3.679669947e+00 2.78 -3.628450228e+00 -3.628450228e+00 2.80 -3.574507061e+00 -3.574507061e+00 2.82 -3.518016809e+00 -3.518016809e+00 2.84 -3.459157132e+00 -3.459157132e+00 2.86 -3.398169027e+00 -3.398169027e+00 2.88 -3.335284917e+00 -3.335284917e+00 2.90 -3.270729736e+00 -3.270729736e+00 2.92 -3.204721485e+00 -3.204721485e+00 2.94 -3.137471413e+00 -3.137471413e+00 2.96 -3.069183964e+00 -3.069183964e+00 2.98 -3.000051992e+00 -3.000051992e+00 3.00 -2.930237707e+00 -2.930237707e+00 3.02 -2.859917700e+00 -2.859917700e+00 3.04 -2.789265041e+00 -2.789265041e+00 3.06 -2.718437062e+00 -2.718437062e+00 3.08 -2.647548064e+00 -2.647548064e+00 3.10 -2.576737929e+00 -2.576737929e+00 3.12 -2.506144242e+00 -2.506144242e+00 3.14 -2.435895940e+00 -2.435895940e+00 3.16 -2.366113338e+00 -2.366113338e+00 3.18 -2.296908204e+00 -2.296908204e+00 3.20 -2.228383879e+00 -2.228383879e+00 3.22 -2.160635431e+00 -2.160635431e+00 3.24 -2.093749854e+00 -2.093749854e+00 3.26 -2.027806297e+00 -2.027806297e+00 3.28 -1.962876313e+00 -1.962876313e+00 3.30 -1.898981056e+00 -1.898981056e+00 3.32 -1.836113190e+00 -1.836113190e+00 3.34 -1.774325665e+00 -1.774325665e+00 3.36 -1.713665870e+00 -1.713665870e+00 3.38 -1.654175194e+00 -1.654175194e+00 3.40 -1.595889336e+00 -1.595889336e+00 3.42 -1.538838607e+00 -1.538838607e+00 3.44 -1.483048253e+00 -1.483048253e+00 3.46 -1.428538753e+00 -1.428538753e+00 3.48 -1.375326130e+00 -1.375326130e+00 3.50 -1.323422249e+00 -1.323422249e+00 3.52 -1.272835102e+00 -1.272835102e+00 3.54 -1.223569099e+00 -1.223569099e+00 3.56 -1.175625338e+00 -1.175625338e+00 3.58 -1.129001864e+00 -1.129001864e+00 3.60 -1.083693929e+00 -1.083693929e+00 3.62 -1.039694228e+00 -1.039694228e+00 3.64 -9.969931302e-01 -9.969931302e-01 3.66 -9.555788982e-01 -9.555788982e-01 3.68 -9.154378952e-01 -9.154378952e-01 3.70 -8.765547794e-01 -8.765547794e-01 3.72 -8.389126894e-01 -8.389126894e-01 3.74 -8.024934165e-01 -8.024934165e-01 3.76 -7.672775674e-01 -7.672775674e-01 3.78 -7.332447156e-01 -7.332447156e-01 3.80 -7.003735434e-01 -7.003735434e-01 3.82 -6.686419732e-01 -6.686419732e-01 3.84 -6.380272898e-01 -6.380272898e-01 3.86 -6.085062537e-01 -6.085062537e-01 3.88 -5.800552054e-01 -5.800552054e-01 3.90 -5.526501622e-01 -5.526501622e-01 3.92 -5.262669062e-01 -5.262669062e-01 3.94 -5.008810656e-01 -5.008810656e-01 3.96 -4.764681890e-01 -4.764681890e-01 3.98 -4.530038129e-01 -4.530038129e-01 4.00 -4.304635228e-01 -4.304635228e-01 4.02 -4.088230093e-01 -4.088230093e-01 4.04 -3.880581174e-01 -3.880581174e-01 4.06 -3.681448924e-01 -3.681448924e-01 4.08 -3.490596196e-01 -3.490596196e-01 4.10 -3.307788602e-01 -3.307788602e-01 4.12 -3.132794831e-01 -3.132794831e-01 4.14 -2.965386930e-01 -2.965386930e-01 4.16 -2.805340543e-01 -2.805340543e-01 4.18 -2.652435125e-01 -2.652435125e-01 4.20 -2.506454125e-01 -2.506454125e-01 4.22 -2.367089670e-01 -2.367089670e-01 4.24 -2.234038918e-01 -2.234038918e-01 4.26 -2.107105630e-01 -2.107105630e-01 4.28 -1.986097833e-01 -1.986097833e-01 4.30 -1.870827868e-01 -1.870827868e-01 4.32 -1.761088525e-01 -1.761088525e-01 4.34 -1.656434623e-01 -1.656434623e-01 4.36 -1.556626792e-01 -1.556626792e-01 4.38 -1.461506465e-01 -1.461506465e-01 4.40 -1.370919277e-01 -1.370919277e-01 4.42 -1.284715030e-01 -1.284715030e-01 4.44 -1.202747655e-01 -1.202747655e-01 4.46 -1.124875168e-01 -1.124875168e-01 4.48 -1.050959609e-01 -1.050959609e-01 4.50 -9.808669851e-02 -9.808669851e-02 4.52 -9.144672153e-02 -9.144672153e-02 4.54 -8.516340632e-02 -8.516340632e-02 4.56 -7.922450172e-02 -7.922450172e-02 4.58 -7.361791084e-02 -7.361791084e-02 4.60 -6.833216634e-02 -6.833216634e-02 4.62 -6.335626657e-02 -6.335626657e-02 4.64 -5.867948906e-02 -5.867948906e-02 4.66 -5.427717191e-02 -5.427717191e-02 4.68 -5.011971853e-02 -5.011971853e-02 4.70 -4.619856740e-02 -4.619856740e-02 4.72 -4.250556607e-02 -4.250556607e-02 4.74 -3.903281059e-02 -3.903281059e-02 4.76 -3.577264235e-02 -3.577264235e-02 4.78 -3.271764425e-02 -3.271764425e-02 4.80 -2.986063637e-02 -2.986063637e-02 4.82 -2.719467139e-02 -2.719467139e-02 4.84 -2.471303000e-02 -2.471303000e-02 4.86 -2.240713075e-02 -2.240713075e-02 4.88 -2.025846081e-02 -2.025846081e-02 4.90 -1.825951785e-02 -1.825951785e-02 4.92 -1.640508660e-02 -1.640508660e-02 4.94 -1.469012266e-02 -1.469012266e-02 4.96 -1.310967640e-02 -1.310967640e-02 4.98 -1.165863524e-02 -1.165863524e-02 5.00 -1.032070448e-02 -1.032070448e-02 5.02 -9.080320543e-03 -9.080320543e-03 5.04 -7.934163212e-03 -7.934163212e-03 5.06 -6.878971700e-03 -6.878971700e-03 5.08 -5.911554606e-03 -5.911554606e-03 5.10 -5.028797667e-03 -5.028797667e-03 5.12 -4.227669532e-03 -4.227669532e-03 5.14 -3.505225887e-03 -3.505225887e-03 5.16 -2.858612171e-03 -2.858612171e-03 5.18 -2.285065131e-03 -2.285065131e-03 5.20 -1.781913400e-03 -1.781913400e-03 5.22 -1.346577279e-03 -1.346577279e-03 5.24 -9.765678560e-04 -9.765678560e-04 5.26 -6.694856020e-04 -6.694856020e-04 5.28 -4.230185454e-04 -4.230185454e-04 5.30 -2.349401136e-04 -2.349401136e-04 5.32 -1.031067241e-04 -1.031067241e-04 5.34 -2.545519108e-05 -2.545519108e-05 5.36 3.133803000e-10 3.133803000e-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