# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag2PdW # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.573189393e+02 3.573189393e+02 1.30 3.308374130e+02 3.308374130e+02 1.32 3.063258429e+02 3.063258429e+02 1.34 2.836376120e+02 2.836376120e+02 1.36 2.626384344e+02 2.626384344e+02 1.38 2.432016019e+02 2.432016019e+02 1.40 2.252057890e+02 2.252057890e+02 1.42 2.085355864e+02 2.085355864e+02 1.44 1.930833370e+02 1.930833370e+02 1.46 1.787505188e+02 1.787505188e+02 1.48 1.654479334e+02 1.654479334e+02 1.50 1.530949652e+02 1.530949652e+02 1.52 1.416184902e+02 1.416184902e+02 1.54 1.309518770e+02 1.309518770e+02 1.56 1.210342364e+02 1.210342364e+02 1.58 1.118098588e+02 1.118098588e+02 1.60 1.032277466e+02 1.032277466e+02 1.62 9.524122086e+01 9.524122086e+01 1.64 8.780760200e+01 8.780760200e+01 1.66 8.088792739e+01 8.088792739e+01 1.68 7.444664524e+01 7.444664524e+01 1.70 6.845132249e+01 6.845132249e+01 1.72 6.287261400e+01 6.287261400e+01 1.74 5.768274681e+01 5.768274681e+01 1.76 5.285798444e+01 5.285798444e+01 1.78 4.838759251e+01 4.838759251e+01 1.80 4.425013065e+01 4.425013065e+01 1.82 4.042223707e+01 4.042223707e+01 1.84 3.688056803e+01 3.688056803e+01 1.86 3.360349573e+01 3.360349573e+01 1.88 3.057115616e+01 3.057115616e+01 1.90 2.776542206e+01 2.776542206e+01 1.92 2.516979148e+01 2.516979148e+01 1.94 2.276921019e+01 2.276921019e+01 1.96 2.054986690e+01 2.054986690e+01 1.98 1.849899717e+01 1.849899717e+01 2.00 1.660471393e+01 1.660471393e+01 2.02 1.485586852e+01 1.485586852e+01 2.04 1.324194206e+01 1.324194206e+01 2.06 1.175296625e+01 1.175296625e+01 2.08 1.037947477e+01 1.037947477e+01 2.10 9.112488031e+00 9.112488031e+00 2.12 7.943533097e+00 7.943533097e+00 2.14 6.864692485e+00 6.864692485e+00 2.16 5.868665693e+00 5.868665693e+00 2.18 4.948821229e+00 4.948821229e+00 2.20 4.099219411e+00 4.099219411e+00 2.22 3.314595543e+00 3.314595543e+00 2.24 2.590304821e+00 2.590304821e+00 2.26 1.922243716e+00 1.922243716e+00 2.28 1.306849490e+00 1.306849490e+00 2.30 7.407376794e-01 7.407376794e-01 2.32 2.207407143e-01 2.207407143e-01 2.34 -2.560743729e-01 -2.560743729e-01 2.36 -6.924651913e-01 -6.924651913e-01 2.38 -1.091053020e+00 -1.091053020e+00 2.40 -1.454344192e+00 -1.454344192e+00 2.42 -1.784641764e+00 -1.784641764e+00 2.44 -2.083914352e+00 -2.083914352e+00 2.46 -2.354073362e+00 -2.354073362e+00 2.48 -2.597001534e+00 -2.597001534e+00 2.50 -2.814530005e+00 -2.814530005e+00 2.52 -3.008419092e+00 -3.008419092e+00 2.54 -3.180343697e+00 -3.180343697e+00 2.56 -3.331885557e+00 -3.331885557e+00 2.58 -3.464533082e+00 -3.464533082e+00 2.60 -3.579686098e+00 -3.579686098e+00 2.62 -3.678660096e+00 -3.678660096e+00 2.64 -3.762685340e+00 -3.762685340e+00 2.66 -3.832900155e+00 -3.832900155e+00 2.68 -3.890342157e+00 -3.890342157e+00 2.70 -3.936050327e+00 -3.936050327e+00 2.72 -3.971217308e+00 -3.971217308e+00 2.74 -3.996382205e+00 -3.996382205e+00 2.76 -4.011982773e+00 -4.011982773e+00 2.78 -4.018432590e+00 -4.018432590e+00 2.80 -4.016130520e+00 -4.016130520e+00 2.82 -4.005470524e+00 -4.005470524e+00 2.84 -3.986871428e+00 -3.986871428e+00 2.86 -3.960854493e+00 -3.960854493e+00 2.88 -3.927980238e+00 -3.927980238e+00 2.90 -3.888828346e+00 -3.888828346e+00 2.92 -3.844002739e+00 -3.844002739e+00 2.94 -3.794131333e+00 -3.794131333e+00 2.96 -3.739860199e+00 -3.739860199e+00 2.98 -3.681898428e+00 -3.681898428e+00 3.00 -3.621054747e+00 -3.621054747e+00 3.02 -3.557767982e+00 -3.557767982e+00 3.04 -3.492434458e+00 -3.492434458e+00 3.06 -3.425431293e+00 -3.425431293e+00 3.08 -3.357099427e+00 -3.357099427e+00 3.10 -3.287730408e+00 -3.287730408e+00 3.12 -3.217557571e+00 -3.217557571e+00 3.14 -3.146755632e+00 -3.146755632e+00 3.16 -3.075456230e+00 -3.075456230e+00 3.18 -3.003739005e+00 -3.003739005e+00 3.20 -2.931634461e+00 -2.931634461e+00 3.22 -2.859136631e+00 -2.859136631e+00 3.24 -2.786216789e+00 -2.786216789e+00 3.26 -2.712837154e+00 -2.712837154e+00 3.28 -2.638963852e+00 -2.638963852e+00 3.30 -2.564578685e+00 -2.564578685e+00 3.32 -2.489689410e+00 -2.489689410e+00 3.34 -2.414338273e+00 -2.414338273e+00 3.36 -2.338608484e+00 -2.338608484e+00 3.38 -2.262628236e+00 -2.262628236e+00 3.40 -2.186571862e+00 -2.186571862e+00 3.42 -2.110657740e+00 -2.110657740e+00 3.44 -2.035142794e+00 -2.035142794e+00 3.46 -1.960313717e+00 -1.960313717e+00 3.48 -1.886475415e+00 -1.886475415e+00 3.50 -1.813937558e+00 -1.813937558e+00 3.52 -1.743000408e+00 -1.743000408e+00 3.54 -1.673941222e+00 -1.673941222e+00 3.56 -1.607002461e+00 -1.607002461e+00 3.58 -1.542382784e+00 -1.542382784e+00 3.60 -1.480231410e+00 -1.480231410e+00 3.62 -1.420645993e+00 -1.420645993e+00 3.64 -1.363673757e+00 -1.363673757e+00 3.66 -1.309315305e+00 -1.309315305e+00 3.68 -1.257530392e+00 -1.257530392e+00 3.70 -1.208244844e+00 -1.208244844e+00 3.72 -1.161357935e+00 -1.161357935e+00 3.74 -1.116749621e+00 -1.116749621e+00 3.76 -1.074287201e+00 -1.074287201e+00 3.78 -1.033831162e+00 -1.033831162e+00 3.80 -9.952400492e-01 -9.952400492e-01 3.82 -9.583743671e-01 -9.583743671e-01 3.84 -9.230995516e-01 -9.230995516e-01 3.86 -8.892881196e-01 -8.892881196e-01 3.88 -8.568211284e-01 -8.568211284e-01 3.90 -8.255890824e-01 -8.255890824e-01 3.92 -7.954924264e-01 -7.954924264e-01 3.94 -7.664417514e-01 -7.664417514e-01 3.96 -7.383578053e-01 -7.383578053e-01 3.98 -7.111713965e-01 -7.111713965e-01 4.00 -6.848232155e-01 -6.848232155e-01 4.02 -6.592635844e-01 -6.592635844e-01 4.04 -6.344521024e-01 -6.344521024e-01 4.06 -6.103571407e-01 -6.103571407e-01 4.08 -5.869551317e-01 -5.869551317e-01 4.10 -5.642296137e-01 -5.642296137e-01 4.12 -5.421700445e-01 -5.421700445e-01 4.14 -5.207703953e-01 -5.207703953e-01 4.16 -5.000276753e-01 -5.000276753e-01 4.18 -4.799404785e-01 -4.799404785e-01 4.20 -4.605077066e-01 -4.605077066e-01 4.22 -4.417275737e-01 -4.417275737e-01 4.24 -4.235969413e-01 -4.235969413e-01 4.26 -4.061109661e-01 -4.061109661e-01 4.28 -3.892629781e-01 -3.892629781e-01 4.30 -3.730444757e-01 -3.730444757e-01 4.32 -3.574451205e-01 -3.574451205e-01 4.34 -3.424526540e-01 -3.424526540e-01 4.36 -3.280527062e-01 -3.280527062e-01 4.38 -3.142285251e-01 -3.142285251e-01 4.40 -3.009606986e-01 -3.009606986e-01 4.42 -2.882269566e-01 -2.882269566e-01 4.44 -2.760021335e-01 -2.760021335e-01 4.46 -2.642583432e-01 -2.642583432e-01 4.48 -2.529653815e-01 -2.529653815e-01 4.50 -2.420913323e-01 -2.420913323e-01 4.52 -2.316033298e-01 -2.316033298e-01 4.54 -2.214684126e-01 -2.214684126e-01 4.56 -2.116544083e-01 -2.116544083e-01 4.58 -2.021307890e-01 -2.021307890e-01 4.60 -1.928694535e-01 -1.928694535e-01 4.62 -1.838454004e-01 -1.838454004e-01 4.64 -1.750372648e-01 -1.750372648e-01 4.66 -1.664277004e-01 -1.664277004e-01 4.68 -1.580035893e-01 -1.580035893e-01 4.70 -1.497560722e-01 -1.497560722e-01 4.72 -1.416803976e-01 -1.416803976e-01 4.74 -1.337756003e-01 -1.337756003e-01 4.76 -1.260440345e-01 -1.260440345e-01 4.78 -1.184908027e-01 -1.184908027e-01 4.80 -1.111231286e-01 -1.111231286e-01 4.82 -1.039497437e-01 -1.039497437e-01 4.84 -9.698031614e-02 -9.698031614e-02 4.86 -9.022499372e-02 -9.022499372e-02 4.88 -8.369406111e-02 -8.369406111e-02 4.90 -7.739771013e-02 -7.739771013e-02 4.92 -7.134589445e-02 -7.134589445e-02 4.94 -6.554795392e-02 -6.554795392e-02 4.96 -6.001286862e-02 -6.001286862e-02 4.98 -5.474949195e-02 -5.474949195e-02 5.00 -4.976568532e-02 -4.976568532e-02 5.02 -4.506803436e-02 -4.506803436e-02 5.04 -4.066151157e-02 -4.066151157e-02 5.06 -3.654911720e-02 -3.654911720e-02 5.08 -3.273154581e-02 -3.273154581e-02 5.10 -2.920693366e-02 -2.920693366e-02 5.12 -2.597072180e-02 -2.597072180e-02 5.14 -2.301565594e-02 -2.301565594e-02 5.16 -2.033193479e-02 -2.033193479e-02 5.18 -1.790748782e-02 -1.790748782e-02 5.20 -1.572824121e-02 -1.572824121e-02 5.22 -1.377860752e-02 -1.377860752e-02 5.24 -1.204238299e-02 -1.204238299e-02 5.26 -1.050277976e-02 -1.050277976e-02 5.28 -9.142852758e-03 -9.142852758e-03 5.30 -7.945887774e-03 -7.945887774e-03 5.32 -6.895717749e-03 -6.895717749e-03 5.34 -5.976964702e-03 -5.976964702e-03 5.36 -5.175210812e-03 -5.175210812e-03 5.38 -4.477106064e-03 -4.477106064e-03 5.40 -3.870421997e-03 -3.870421997e-03 5.42 -3.344061904e-03 -3.344061904e-03 5.44 -2.888037508e-03 -2.888037508e-03 5.46 -2.493421278e-03 -2.493421278e-03 5.48 -2.152282210e-03 -2.152282210e-03 5.50 -1.857611567e-03 -1.857611567e-03 5.52 -1.603243668e-03 -1.603243668e-03 5.54 -1.383775612e-03 -1.383775612e-03 5.56 -1.194488730e-03 -1.194488730e-03 5.58 -1.031273698e-03 -1.031273698e-03 5.60 -8.905605482e-04 -8.905605482e-04 5.62 -7.692542483e-04 -7.692542483e-04 5.64 -6.646761587e-04 -6.646761587e-04 5.66 -5.745113520e-04 -5.745113520e-04 5.68 -4.967616074e-04 -4.967616074e-04 5.70 -4.297037524e-04 -4.297037524e-04 5.72 -3.718529569e-04 -3.718529569e-04 5.74 -3.219305424e-04 -3.219305424e-04 5.76 -2.788358654e-04 -2.788358654e-04 5.78 -2.416218409e-04 -2.416218409e-04 5.80 -2.094736942e-04 -2.094736942e-04 5.82 -1.816905592e-04 -1.816905592e-04 5.84 -1.576695717e-04 -1.576695717e-04 5.86 -1.368921431e-04 -1.368921431e-04 5.88 -1.189121299e-04 -1.189121299e-04 5.90 -1.033456488e-04 -1.033456488e-04 5.92 -8.986231676e-05 -8.986231676e-05 5.94 -7.817772048e-05 -7.817772048e-05 5.96 -6.804694710e-05 -6.804694710e-05 5.98 -5.925902853e-05 -5.925902853e-05 6.00 -5.163217150e-05 -5.163217150e-05