# 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 = Cu2MgPb # 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 2.276953753e+02 2.276953753e+02 1.30 2.111225926e+02 2.111225926e+02 1.32 1.957797958e+02 1.957797958e+02 1.34 1.815693454e+02 1.815693454e+02 1.36 1.684016317e+02 1.684016317e+02 1.38 1.561939604e+02 1.561939604e+02 1.40 1.448703291e+02 1.448703291e+02 1.42 1.343616165e+02 1.343616165e+02 1.44 1.246052606e+02 1.246052606e+02 1.46 1.155443304e+02 1.155443304e+02 1.48 1.071265556e+02 1.071265556e+02 1.50 9.930369205e+01 9.930369205e+01 1.52 9.203118012e+01 9.203118012e+01 1.54 8.526782433e+01 8.526782433e+01 1.56 7.897540320e+01 7.897540320e+01 1.58 7.311914560e+01 7.311914560e+01 1.60 6.767277558e+01 6.767277558e+01 1.62 6.260726446e+01 6.260726446e+01 1.64 5.789542432e+01 5.789542432e+01 1.66 5.351303271e+01 5.351303271e+01 1.68 4.943813440e+01 4.943813440e+01 1.70 4.565034122e+01 4.565034122e+01 1.72 4.213029663e+01 4.213029663e+01 1.74 3.885944027e+01 3.885944027e+01 1.76 3.582003494e+01 3.582003494e+01 1.78 3.299531868e+01 3.299531868e+01 1.80 3.036963717e+01 3.036963717e+01 1.82 2.792851922e+01 2.792851922e+01 1.84 2.565866432e+01 2.565866432e+01 1.86 2.354786973e+01 2.354786973e+01 1.88 2.158491767e+01 2.158491767e+01 1.90 1.975945251e+01 1.975945251e+01 1.92 1.806188290e+01 1.806188290e+01 1.94 1.648332989e+01 1.648332989e+01 1.96 1.501559368e+01 1.501559368e+01 1.98 1.365113256e+01 1.365113256e+01 2.00 1.238301900e+01 1.238301900e+01 2.02 1.120486995e+01 1.120486995e+01 2.04 1.011076678e+01 1.011076678e+01 2.06 9.095187158e+00 9.095187158e+00 2.08 8.152957745e+00 8.152957745e+00 2.10 7.279227578e+00 7.279227578e+00 2.12 6.469451905e+00 6.469451905e+00 2.14 5.719373437e+00 5.719373437e+00 2.16 5.025002196e+00 5.025002196e+00 2.18 4.382590443e+00 4.382590443e+00 2.20 3.788607773e+00 3.788607773e+00 2.22 3.239722434e+00 3.239722434e+00 2.24 2.732791661e+00 2.732791661e+00 2.26 2.264857317e+00 2.264857317e+00 2.28 1.833134473e+00 1.833134473e+00 2.30 1.435000213e+00 1.435000213e+00 2.32 1.067967033e+00 1.067967033e+00 2.34 7.296812829e-01 7.296812829e-01 2.36 4.179252932e-01 4.179252932e-01 2.38 1.306392859e-01 1.306392859e-01 2.40 -1.340575905e-01 -1.340575905e-01 2.42 -3.778581248e-01 -3.778581248e-01 2.44 -6.022726524e-01 -6.022726524e-01 2.46 -8.086479199e-01 -8.086479199e-01 2.48 -9.981908577e-01 -9.981908577e-01 2.50 -1.171992242e+00 -1.171992242e+00 2.52 -1.331047190e+00 -1.331047190e+00 2.54 -1.476271917e+00 -1.476271917e+00 2.56 -1.608539365e+00 -1.608539365e+00 2.58 -1.729046597e+00 -1.729046597e+00 2.60 -1.838354674e+00 -1.838354674e+00 2.62 -1.936800482e+00 -1.936800482e+00 2.64 -2.024779696e+00 -2.024779696e+00 2.66 -2.102740340e+00 -2.102740340e+00 2.68 -2.171183683e+00 -2.171183683e+00 2.70 -2.230657517e+00 -2.230657517e+00 2.72 -2.281744687e+00 -2.281744687e+00 2.74 -2.325062258e+00 -2.325062258e+00 2.76 -2.361261798e+00 -2.361261798e+00 2.78 -2.390961387e+00 -2.390961387e+00 2.80 -2.414722129e+00 -2.414722129e+00 2.82 -2.433038272e+00 -2.433038272e+00 2.84 -2.446340760e+00 -2.446340760e+00 2.86 -2.455005491e+00 -2.455005491e+00 2.88 -2.459365657e+00 -2.459365657e+00 2.90 -2.459724363e+00 -2.459724363e+00 2.92 -2.456365232e+00 -2.456365232e+00 2.94 -2.449559939e+00 -2.449559939e+00 2.96 -2.439575325e+00 -2.439575325e+00 2.98 -2.426703441e+00 -2.426703441e+00 3.00 -2.411176155e+00 -2.411176155e+00 3.02 -2.393206873e+00 -2.393206873e+00 3.04 -2.373007562e+00 -2.373007562e+00 3.06 -2.350788258e+00 -2.350788258e+00 3.08 -2.326750367e+00 -2.326750367e+00 3.10 -2.301087609e+00 -2.301087609e+00 3.12 -2.273982840e+00 -2.273982840e+00 3.14 -2.245609135e+00 -2.245609135e+00 3.16 -2.216131676e+00 -2.216131676e+00 3.18 -2.185679006e+00 -2.185679006e+00 3.20 -2.154362792e+00 -2.154362792e+00 3.22 -2.122285267e+00 -2.122285267e+00 3.24 -2.089537711e+00 -2.089537711e+00 3.26 -2.056199841e+00 -2.056199841e+00 3.28 -2.022340328e+00 -2.022340328e+00 3.30 -1.988018378e+00 -1.988018378e+00 3.32 -1.953284079e+00 -1.953284079e+00 3.34 -1.918164907e+00 -1.918164907e+00 3.36 -1.882679168e+00 -1.882679168e+00 3.38 -1.846850456e+00 -1.846850456e+00 3.40 -1.810707921e+00 -1.810707921e+00 3.42 -1.774287086e+00 -1.774287086e+00 3.44 -1.737627649e+00 -1.737627649e+00 3.46 -1.700773454e+00 -1.700773454e+00 3.48 -1.663770797e+00 -1.663770797e+00 3.50 -1.626666907e+00 -1.626666907e+00 3.52 -1.589508507e+00 -1.589508507e+00 3.54 -1.552340613e+00 -1.552340613e+00 3.56 -1.515205714e+00 -1.515205714e+00 3.58 -1.478143406e+00 -1.478143406e+00 3.60 -1.441190505e+00 -1.441190505e+00 3.62 -1.404381630e+00 -1.404381630e+00 3.64 -1.367750185e+00 -1.367750185e+00 3.66 -1.331329657e+00 -1.331329657e+00 3.68 -1.295155071e+00 -1.295155071e+00 3.70 -1.259264468e+00 -1.259264468e+00 3.72 -1.223700199e+00 -1.223700199e+00 3.74 -1.188509866e+00 -1.188509866e+00 3.76 -1.153746713e+00 -1.153746713e+00 3.78 -1.119469334e+00 -1.119469334e+00 3.80 -1.085740577e+00 -1.085740577e+00 3.82 -1.052625635e+00 -1.052625635e+00 3.84 -1.020189377e+00 -1.020189377e+00 3.86 -9.884931498e-01 -9.884931498e-01 3.88 -9.575913351e-01 -9.575913351e-01 3.90 -9.275281089e-01 -9.275281089e-01 3.92 -8.983343530e-01 -8.983343530e-01 3.94 -8.700278419e-01 -8.700278419e-01 3.96 -8.426097452e-01 -8.426097452e-01 3.98 -8.160672841e-01 -8.160672841e-01 4.00 -7.903747098e-01 -7.903747098e-01 4.02 -7.654954753e-01 -7.654954753e-01 4.04 -7.413847170e-01 -7.413847170e-01 4.06 -7.179917452e-01 -7.179917452e-01 4.08 -6.952623265e-01 -6.952623265e-01 4.10 -6.731393829e-01 -6.731393829e-01 4.12 -6.515698483e-01 -6.515698483e-01 4.14 -6.304976580e-01 -6.304976580e-01 4.16 -6.098706081e-01 -6.098706081e-01 4.18 -5.896396935e-01 -5.896396935e-01 4.20 -5.697599381e-01 -5.697599381e-01 4.22 -5.501912497e-01 -5.501912497e-01 4.24 -5.308993511e-01 -5.308993511e-01 4.26 -5.118568043e-01 -5.118568043e-01 4.28 -4.930441049e-01 -4.930441049e-01 4.30 -4.744507762e-01 -4.744507762e-01 4.32 -4.560763501e-01 -4.560763501e-01 4.34 -4.379310854e-01 -4.379310854e-01 4.36 -4.200362486e-01 -4.200362486e-01 4.38 -4.024237939e-01 -4.024237939e-01 4.40 -3.851353098e-01 -3.851353098e-01 4.42 -3.682201799e-01 -3.682201799e-01 4.44 -3.517330055e-01 -3.517330055e-01 4.46 -3.357304543e-01 -3.357304543e-01 4.48 -3.202678045e-01 -3.202678045e-01 4.50 -3.053955240e-01 -3.053955240e-01 4.52 -2.911562331e-01 -2.911562331e-01 4.54 -2.775823520e-01 -2.775823520e-01 4.56 -2.646946350e-01 -2.646946350e-01 4.58 -2.525016597e-01 -2.525016597e-01 4.60 -2.410002173e-01 -2.410002173e-01 4.62 -2.301764430e-01 -2.301764430e-01 4.64 -2.200074669e-01 -2.200074669e-01 4.66 -2.104633496e-01 -2.104633496e-01 4.68 -2.015090803e-01 -2.015090803e-01 4.70 -1.931064727e-01 -1.931064727e-01 4.72 -1.852158378e-01 -1.852158378e-01 4.74 -1.777973670e-01 -1.777973670e-01 4.76 -1.708122077e-01 -1.708122077e-01 4.78 -1.642232405e-01 -1.642232405e-01 4.80 -1.579946095e-01 -1.579946095e-01 4.82 -1.520961345e-01 -1.520961345e-01 4.84 -1.464970043e-01 -1.464970043e-01 4.86 -1.411702697e-01 -1.411702697e-01 4.88 -1.360915754e-01 -1.360915754e-01 4.90 -1.312390150e-01 -1.312390150e-01 4.92 -1.265929550e-01 -1.265929550e-01 4.94 -1.221357318e-01 -1.221357318e-01 4.96 -1.178516385e-01 -1.178516385e-01 4.98 -1.137268027e-01 -1.137268027e-01 5.00 -1.097488823e-01 -1.097488823e-01 5.02 -1.059069295e-01 -1.059069295e-01 5.04 -1.021912728e-01 -1.021912728e-01 5.06 -9.859341790e-02 -9.859341790e-02 5.08 -9.510596372e-02 -9.510596372e-02 5.10 -9.172253051e-02 -9.172253051e-02 5.12 -8.843770262e-02 -8.843770262e-02 5.14 -8.524697443e-02 -8.524697443e-02 5.16 -8.214669674e-02 -8.214669674e-02 5.18 -7.913401880e-02 -7.913401880e-02 5.20 -7.620682147e-02 -7.620682147e-02 5.22 -7.336363822e-02 -7.336363822e-02 5.24 -7.060356226e-02 -7.060356226e-02 5.26 -6.792610909e-02 -6.792610909e-02 5.28 -6.533077958e-02 -6.533077958e-02 5.30 -6.281770719e-02 -6.281770719e-02 5.32 -6.038724039e-02 -6.038724039e-02 5.34 -5.803965719e-02 -5.803965719e-02 5.36 -5.577505674e-02 -5.577505674e-02 5.38 -5.359326991e-02 -5.359326991e-02 5.40 -5.149379222e-02 -5.149379222e-02 5.42 -4.947574056e-02 -4.947574056e-02 5.44 -4.753783236e-02 -4.753783236e-02 5.46 -4.567838460e-02 -4.567838460e-02 5.48 -4.389532906e-02 -4.389532906e-02 5.50 -4.218623980e-02 -4.218623980e-02 5.52 -4.054836948e-02 -4.054836948e-02 5.54 -3.897869178e-02 -3.897869178e-02 5.56 -3.747394797e-02 -3.747394797e-02 5.58 -3.603069600e-02 -3.603069600e-02 5.60 -3.464536111e-02 -3.464536111e-02 5.62 -3.331428688e-02 -3.331428688e-02 5.64 -3.203378547e-02 -3.203378547e-02 5.66 -3.080018609e-02 -3.080018609e-02 5.68 -2.960988053e-02 -2.960988053e-02 5.70 -2.845936488e-02 -2.845936488e-02 5.72 -2.734527681e-02 -2.734527681e-02 5.74 -2.626442834e-02 -2.626442834e-02 5.76 -2.521383408e-02 -2.521383408e-02 5.78 -2.419073539e-02 -2.419073539e-02 5.80 -2.319262080e-02 -2.319262080e-02 5.82 -2.221724367e-02 -2.221724367e-02 5.84 -2.126263726e-02 -2.126263726e-02 5.86 -2.032712745e-02 -2.032712745e-02 5.88 -1.940934326e-02 -1.940934326e-02 5.90 -1.850822475e-02 -1.850822475e-02 5.92 -1.762302775e-02 -1.762302775e-02 5.94 -1.675332457e-02 -1.675332457e-02 5.96 -1.589899975e-02 -1.589899975e-02 5.98 -1.506023975e-02 -1.506023975e-02 6.00 -1.423751578e-02 -1.423751578e-02