# 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 = CoPdPt2 # 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 3.215082480e+02 3.215082480e+02 1.30 2.991912934e+02 2.991912934e+02 1.32 2.783727777e+02 2.783727777e+02 1.34 2.589410767e+02 2.589410767e+02 1.36 2.407925600e+02 2.407925600e+02 1.38 2.238321120e+02 2.238321120e+02 1.40 2.079759564e+02 2.079759564e+02 1.42 1.931530414e+02 1.931530414e+02 1.44 1.793005956e+02 1.793005956e+02 1.46 1.663574697e+02 1.663574697e+02 1.48 1.542614892e+02 1.542614892e+02 1.50 1.429507023e+02 1.429507023e+02 1.52 1.323649419e+02 1.323649419e+02 1.54 1.224464924e+02 1.224464924e+02 1.56 1.131408357e+02 1.131408357e+02 1.58 1.043978846e+02 1.043978846e+02 1.60 9.617291506e+01 9.617291506e+01 1.62 8.842653336e+01 8.842653336e+01 1.64 8.112398523e+01 8.112398523e+01 1.66 7.423458796e+01 7.423458796e+01 1.68 6.773164288e+01 6.773164288e+01 1.70 6.159248840e+01 6.159248840e+01 1.72 5.579840386e+01 5.579840386e+01 1.74 5.038273216e+01 5.038273216e+01 1.76 4.541719957e+01 4.541719957e+01 1.78 4.086827666e+01 4.086827666e+01 1.80 3.669902854e+01 3.669902854e+01 1.82 3.287526159e+01 3.287526159e+01 1.84 2.936704056e+01 2.936704056e+01 1.86 2.614921479e+01 2.614921479e+01 1.88 2.320081561e+01 2.320081561e+01 1.90 2.050362602e+01 2.050362602e+01 1.92 1.804054732e+01 1.804054732e+01 1.94 1.579446890e+01 1.579446890e+01 1.96 1.374800778e+01 1.374800778e+01 1.98 1.188393820e+01 1.188393820e+01 2.00 1.018583461e+01 1.018583461e+01 2.02 8.638554767e+00 8.638554767e+00 2.04 7.228451916e+00 7.228451916e+00 2.06 5.943371117e+00 5.943371117e+00 2.08 4.772515563e+00 4.772515563e+00 2.10 3.706248874e+00 3.706248874e+00 2.12 2.735885674e+00 2.735885674e+00 2.14 1.853515650e+00 1.853515650e+00 2.16 1.051890344e+00 1.051890344e+00 2.18 3.243736260e-01 3.243736260e-01 2.20 -3.350691605e-01 -3.350691605e-01 2.22 -9.318758975e-01 -9.318758975e-01 2.24 -1.470907628e+00 -1.470907628e+00 2.26 -1.956488936e+00 -1.956488936e+00 2.28 -2.392464305e+00 -2.392464305e+00 2.30 -2.782264173e+00 -2.782264173e+00 2.32 -3.128976131e+00 -3.128976131e+00 2.34 -3.435418044e+00 -3.435418044e+00 2.36 -3.704210175e+00 -3.704210175e+00 2.38 -3.937842824e+00 -3.937842824e+00 2.40 -4.138735657e+00 -4.138735657e+00 2.42 -4.309284914e+00 -4.309284914e+00 2.44 -4.451895535e+00 -4.451895535e+00 2.46 -4.569012688e+00 -4.569012688e+00 2.48 -4.665196298e+00 -4.665196298e+00 2.50 -4.743700498e+00 -4.743700498e+00 2.52 -4.806093763e+00 -4.806093763e+00 2.54 -4.854028318e+00 -4.854028318e+00 2.56 -4.889161386e+00 -4.889161386e+00 2.58 -4.913063311e+00 -4.913063311e+00 2.60 -4.927131601e+00 -4.927131601e+00 2.62 -4.932539174e+00 -4.932539174e+00 2.64 -4.930232046e+00 -4.930232046e+00 2.66 -4.920847272e+00 -4.920847272e+00 2.68 -4.904825316e+00 -4.904825316e+00 2.70 -4.882473052e+00 -4.882473052e+00 2.72 -4.854011502e+00 -4.854011502e+00 2.74 -4.819649105e+00 -4.819649105e+00 2.76 -4.779785920e+00 -4.779785920e+00 2.78 -4.734511509e+00 -4.734511509e+00 2.80 -4.683875023e+00 -4.683875023e+00 2.82 -4.627946147e+00 -4.627946147e+00 2.84 -4.566822018e+00 -4.566822018e+00 2.86 -4.500665823e+00 -4.500665823e+00 2.88 -4.429721964e+00 -4.429721964e+00 2.90 -4.354331500e+00 -4.354331500e+00 2.92 -4.274944670e+00 -4.274944670e+00 2.94 -4.192132520e+00 -4.192132520e+00 2.96 -4.106588369e+00 -4.106588369e+00 2.98 -4.019073512e+00 -4.019073512e+00 3.00 -3.930368208e+00 -3.930368208e+00 3.02 -3.841218623e+00 -3.841218623e+00 3.04 -3.752285743e+00 -3.752285743e+00 3.06 -3.664106646e+00 -3.664106646e+00 3.08 -3.577074661e+00 -3.577074661e+00 3.10 -3.491439702e+00 -3.491439702e+00 3.12 -3.407324927e+00 -3.407324927e+00 3.14 -3.324753296e+00 -3.324753296e+00 3.16 -3.243677240e+00 -3.243677240e+00 3.18 -3.164006345e+00 -3.164006345e+00 3.20 -3.085630014e+00 -3.085630014e+00 3.22 -3.008434218e+00 -3.008434218e+00 3.24 -2.932312730e+00 -2.932312730e+00 3.26 -2.857173988e+00 -2.857173988e+00 3.28 -2.782973706e+00 -2.782973706e+00 3.30 -2.709773622e+00 -2.709773622e+00 3.32 -2.637646897e+00 -2.637646897e+00 3.34 -2.566659514e+00 -2.566659514e+00 3.36 -2.496873172e+00 -2.496873172e+00 3.38 -2.428346590e+00 -2.428346590e+00 3.40 -2.361135662e+00 -2.361135662e+00 3.42 -2.295292855e+00 -2.295292855e+00 3.44 -2.230866135e+00 -2.230866135e+00 3.46 -2.167897723e+00 -2.167897723e+00 3.48 -2.106422854e+00 -2.106422854e+00 3.50 -2.046468677e+00 -2.046468677e+00 3.52 -1.988053399e+00 -1.988053399e+00 3.54 -1.931185681e+00 -1.931185681e+00 3.56 -1.875864314e+00 -1.875864314e+00 3.58 -1.822078160e+00 -1.822078160e+00 3.60 -1.769806332e+00 -1.769806332e+00 3.62 -1.719018631e+00 -1.719018631e+00 3.64 -1.669676207e+00 -1.669676207e+00 3.66 -1.621732460e+00 -1.621732460e+00 3.68 -1.575134156e+00 -1.575134156e+00 3.70 -1.529822750e+00 -1.529822750e+00 3.72 -1.485735860e+00 -1.485735860e+00 3.74 -1.442808841e+00 -1.442808841e+00 3.76 -1.400976374e+00 -1.400976374e+00 3.78 -1.360173988e+00 -1.360173988e+00 3.80 -1.320339430e+00 -1.320339430e+00 3.82 -1.281413813e+00 -1.281413813e+00 3.84 -1.243342503e+00 -1.243342503e+00 3.86 -1.206075735e+00 -1.206075735e+00 3.88 -1.169568986e+00 -1.169568986e+00 3.90 -1.133783169e+00 -1.133783169e+00 3.92 -1.098684712e+00 -1.098684712e+00 3.94 -1.064245642e+00 -1.064245642e+00 3.96 -1.030443715e+00 -1.030443715e+00 3.98 -9.972626793e-01 -9.972626793e-01 4.00 -9.646926785e-01 -9.646926785e-01 4.02 -9.327307477e-01 -9.327307477e-01 4.04 -9.013813285e-01 -9.013813285e-01 4.06 -8.706566554e-01 -8.706566554e-01 4.08 -8.405768455e-01 -8.405768455e-01 4.10 -8.111695085e-01 -8.111695085e-01 4.12 -7.824687647e-01 -7.824687647e-01 4.14 -7.545135105e-01 -7.545135105e-01 4.16 -7.273450774e-01 -7.273450774e-01 4.18 -7.010043406e-01 -7.010043406e-01 4.20 -6.755285697e-01 -6.755285697e-01 4.22 -6.509483387e-01 -6.509483387e-01 4.24 -6.272848294e-01 -6.272848294e-01 4.26 -6.045478064e-01 -6.045478064e-01 4.28 -5.827344339e-01 -5.827344339e-01 4.30 -5.618289797e-01 -5.618289797e-01 4.32 -5.418033304e-01 -5.418033304e-01 4.34 -5.226181611e-01 -5.226181611e-01 4.36 -5.042245605e-01 -5.042245605e-01 4.38 -4.865659132e-01 -4.865659132e-01 4.40 -4.695798646e-01 -4.695798646e-01 4.42 -4.532002298e-01 -4.532002298e-01 4.44 -4.373587498e-01 -4.373587498e-01 4.46 -4.219866380e-01 -4.219866380e-01 4.48 -4.070158957e-01 -4.070158957e-01 4.50 -3.923804088e-01 -3.923804088e-01 4.52 -3.780168637e-01 -3.780168637e-01 4.54 -3.638655367e-01 -3.638655367e-01 4.56 -3.498710214e-01 -3.498710214e-01 4.58 -3.359829561e-01 -3.359829561e-01 4.60 -3.221568041e-01 -3.221568041e-01 4.62 -3.083547220e-01 -3.083547220e-01 4.64 -2.945465288e-01 -2.945465288e-01 4.66 -2.807107578e-01 -2.807107578e-01 4.68 -2.668357438e-01 -2.668357438e-01 4.70 -2.529206620e-01 -2.529206620e-01 4.72 -2.389764084e-01 -2.389764084e-01 4.74 -2.250261849e-01 -2.250261849e-01 4.76 -2.111056435e-01 -2.111056435e-01 4.78 -1.972624540e-01 -1.972624540e-01 4.80 -1.835551882e-01 -1.835551882e-01 4.82 -1.700514783e-01 -1.700514783e-01 4.84 -1.568254637e-01 -1.568254637e-01 4.86 -1.439546639e-01 -1.439546639e-01 4.88 -1.315164657e-01 -1.315164657e-01 4.90 -1.195844994e-01 -1.195844994e-01 4.92 -1.082252041e-01 -1.082252041e-01 4.94 -9.749487196e-02 -9.749487196e-02 4.96 -8.743740379e-02 -8.743740379e-02 4.98 -7.808295681e-02 -7.808295681e-02 5.00 -6.944746775e-02 -6.944746775e-02 5.02 -6.153305089e-02 -6.153305089e-02 5.04 -5.432912691e-02 -5.432912691e-02 5.06 -4.781473319e-02 -4.781473319e-02 5.08 -4.195992619e-02 -4.195992619e-02 5.10 -3.672625108e-02 -3.672625108e-02 5.12 -3.207086854e-02 -3.207086854e-02 5.14 -2.794840943e-02 -2.794840943e-02 5.16 -2.431256492e-02 -2.431256492e-02 5.18 -2.111740940e-02 -2.111740940e-02 5.20 -1.831844466e-02 -1.831844466e-02 5.22 -1.587336155e-02 -1.587336155e-02 5.24 -1.374256890e-02 -1.374256890e-02 5.26 -1.188944337e-02 -1.188944337e-02 5.28 -1.028039337e-02 -1.028039337e-02 5.30 -8.885452405e-03 -8.885452405e-03 5.32 -7.677707970e-03 -7.677707970e-03 5.34 -6.633134868e-03 -6.633134868e-03 5.36 -5.730432440e-03 -5.730432440e-03 5.38 -4.950822800e-03 -4.950822800e-03 5.40 -4.277830034e-03 -4.277830034e-03 5.42 -3.697054533e-03 -3.697054533e-03 5.44 -3.195952151e-03 -3.195952151e-03 5.46 -2.763624423e-03 -2.763624423e-03 5.48 -2.390623574e-03 -2.390623574e-03 5.50 -2.068774220e-03 -2.068774220e-03 5.52 -1.791012370e-03 -1.791012370e-03 5.54 -1.551241510e-03 -1.551241510e-03 5.56 -1.344204958e-03 -1.344204958e-03 5.58 -1.165373404e-03 -1.165373404e-03 5.60 -1.010846320e-03 -1.010846320e-03 5.62 -8.772659152e-04 -8.772659152e-04 5.64 -7.617423022e-04 -7.617423022e-04 5.66 -6.617885875e-04 -6.617885875e-04 5.68 -5.752647164e-04 -5.752647164e-04 5.70 -5.003289758e-04 -5.003289758e-04 5.72 -4.353961775e-04 -4.353961775e-04 5.74 -3.791016477e-04 -3.791016477e-04 5.76 -3.302702442e-04 -3.302702442e-04 5.78 -2.878897216e-04 -2.878897216e-04 5.80 -2.510878467e-04 -2.510878467e-04 5.82 -2.191127443e-04 -2.191127443e-04 5.84 -1.913160210e-04 -1.913160210e-04 5.86 -1.671382787e-04 -1.671382787e-04 5.88 -1.460966768e-04 -1.460966768e-04 5.90 -1.277742566e-04 -1.277742566e-04 5.92 -1.118107742e-04 -1.118107742e-04 5.94 -9.789482894e-05 -9.789482894e-05 5.96 -8.575710252e-05 -8.575710252e-05 5.98 -7.516454975e-05 -7.516454975e-05 6.00 -6.591540631e-05 -6.591540631e-05