# 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 = AuCuPt2 # 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 3.191186231e+02 3.191186231e+02 1.30 2.971362509e+02 2.971362509e+02 1.32 2.766299430e+02 2.766299430e+02 1.34 2.574993729e+02 2.574993729e+02 1.36 2.396466371e+02 2.396466371e+02 1.38 2.229756208e+02 2.229756208e+02 1.40 2.073962564e+02 2.073962564e+02 1.42 1.928289425e+02 1.928289425e+02 1.44 1.792038850e+02 1.792038850e+02 1.46 1.664575084e+02 1.664575084e+02 1.48 1.545307725e+02 1.545307725e+02 1.50 1.433688504e+02 1.433688504e+02 1.52 1.329193469e+02 1.329193469e+02 1.54 1.231298193e+02 1.231298193e+02 1.56 1.139472291e+02 1.139472291e+02 1.58 1.053197268e+02 1.053197268e+02 1.60 9.719910319e+01 9.719910319e+01 1.62 8.954249595e+01 8.954249595e+01 1.64 8.231305218e+01 8.231305218e+01 1.66 7.547992521e+01 7.547992521e+01 1.68 6.901804666e+01 6.901804666e+01 1.70 6.290773573e+01 6.290773573e+01 1.72 5.713603290e+01 5.713603290e+01 1.74 5.170202137e+01 5.170202137e+01 1.76 4.668071838e+01 4.668071838e+01 1.78 4.208474298e+01 4.208474298e+01 1.80 3.787843588e+01 3.787843588e+01 1.82 3.402719277e+01 3.402719277e+01 1.84 3.049936513e+01 3.049936513e+01 1.86 2.726737688e+01 2.726737688e+01 1.88 2.430766376e+01 2.430766376e+01 1.90 2.159962008e+01 2.159962008e+01 1.92 1.912420554e+01 1.912420554e+01 1.94 1.686296897e+01 1.686296897e+01 1.96 1.479785439e+01 1.479785439e+01 1.98 1.291158689e+01 1.291158689e+01 2.00 1.118816981e+01 1.118816981e+01 2.02 9.613165771e+00 9.613165771e+00 2.04 8.173710034e+00 8.173710034e+00 2.06 6.858360966e+00 6.858360966e+00 2.08 5.656895270e+00 5.656895270e+00 2.10 4.560102692e+00 4.560102692e+00 2.12 3.559602956e+00 3.559602956e+00 2.14 2.647703178e+00 2.647703178e+00 2.16 1.817310721e+00 1.817310721e+00 2.18 1.061899289e+00 1.061899289e+00 2.20 3.755057529e-01 3.755057529e-01 2.22 -2.472712668e-01 -2.472712668e-01 2.24 -8.112907681e-01 -8.112907681e-01 2.26 -1.320911973e+00 -1.320911973e+00 2.28 -1.780055702e+00 -1.780055702e+00 2.30 -2.192276155e+00 -2.192276155e+00 2.32 -2.560833906e+00 -2.560833906e+00 2.34 -2.888761455e+00 -2.888761455e+00 2.36 -3.178915630e+00 -3.178915630e+00 2.38 -3.434016137e+00 -3.434016137e+00 2.40 -3.656673812e+00 -3.656673812e+00 2.42 -3.849412071e+00 -3.849412071e+00 2.44 -4.014681878e+00 -4.014681878e+00 2.46 -4.154868694e+00 -4.154868694e+00 2.48 -4.272520250e+00 -4.272520250e+00 2.50 -4.372263757e+00 -4.372263757e+00 2.52 -4.456181163e+00 -4.456181163e+00 2.54 -4.525572059e+00 -4.525572059e+00 2.56 -4.581758574e+00 -4.581758574e+00 2.58 -4.626026048e+00 -4.626026048e+00 2.60 -4.659564961e+00 -4.659564961e+00 2.62 -4.683427542e+00 -4.683427542e+00 2.64 -4.698507753e+00 -4.698507753e+00 2.66 -4.705544612e+00 -4.705544612e+00 2.68 -4.705141805e+00 -4.705141805e+00 2.70 -4.697793950e+00 -4.697793950e+00 2.72 -4.683911482e+00 -4.683911482e+00 2.74 -4.663839819e+00 -4.663839819e+00 2.76 -4.637872303e+00 -4.637872303e+00 2.78 -4.606295539e+00 -4.606295539e+00 2.80 -4.569540645e+00 -4.569540645e+00 2.82 -4.527655795e+00 -4.527655795e+00 2.84 -4.480652548e+00 -4.480652548e+00 2.86 -4.428601136e+00 -4.428601136e+00 2.88 -4.371646509e+00 -4.371646509e+00 2.90 -4.310026938e+00 -4.310026938e+00 2.92 -4.244090323e+00 -4.244090323e+00 2.94 -4.174302133e+00 -4.174302133e+00 2.96 -4.101239107e+00 -4.101239107e+00 2.98 -4.025566488e+00 -4.025566488e+00 3.00 -3.948003594e+00 -3.948003594e+00 3.02 -3.869264821e+00 -3.869264821e+00 3.04 -3.790004991e+00 -3.790004991e+00 3.06 -3.710777961e+00 -3.710777961e+00 3.08 -3.632012414e+00 -3.632012414e+00 3.10 -3.554006586e+00 -3.554006586e+00 3.12 -3.476938617e+00 -3.476938617e+00 3.14 -3.400886766e+00 -3.400886766e+00 3.16 -3.325853449e+00 -3.325853449e+00 3.18 -3.251788651e+00 -3.251788651e+00 3.20 -3.178610088e+00 -3.178610088e+00 3.22 -3.106219240e+00 -3.106219240e+00 3.24 -3.034513449e+00 -3.034513449e+00 3.26 -2.963394761e+00 -2.963394761e+00 3.28 -2.892776293e+00 -2.892776293e+00 3.30 -2.822597393e+00 -2.822597393e+00 3.32 -2.752898329e+00 -2.752898329e+00 3.34 -2.683759488e+00 -2.683759488e+00 3.36 -2.615256824e+00 -2.615256824e+00 3.38 -2.547465274e+00 -2.547465274e+00 3.40 -2.480460458e+00 -2.480460458e+00 3.42 -2.414318786e+00 -2.414318786e+00 3.44 -2.349116382e+00 -2.349116382e+00 3.46 -2.284927305e+00 -2.284927305e+00 3.48 -2.221821435e+00 -2.221821435e+00 3.50 -2.159862376e+00 -2.159862376e+00 3.52 -2.099105609e+00 -2.099105609e+00 3.54 -2.039597056e+00 -2.039597056e+00 3.56 -1.981372110e+00 -1.981372110e+00 3.58 -1.924455173e+00 -1.924455173e+00 3.60 -1.868859644e+00 -1.868859644e+00 3.62 -1.814588346e+00 -1.814588346e+00 3.64 -1.761634318e+00 -1.761634318e+00 3.66 -1.709981939e+00 -1.709981939e+00 3.68 -1.659608323e+00 -1.659608323e+00 3.70 -1.610484935e+00 -1.610484935e+00 3.72 -1.562579345e+00 -1.562579345e+00 3.74 -1.515857022e+00 -1.515857022e+00 3.76 -1.470283049e+00 -1.470283049e+00 3.78 -1.425823596e+00 -1.425823596e+00 3.80 -1.382447019e+00 -1.382447019e+00 3.82 -1.340124455e+00 -1.340124455e+00 3.84 -1.298829869e+00 -1.298829869e+00 3.86 -1.258539584e+00 -1.258539584e+00 3.88 -1.219231432e+00 -1.219231432e+00 3.90 -1.180883741e+00 -1.180883741e+00 3.92 -1.143474410e+00 -1.143474410e+00 3.94 -1.106980306e+00 -1.106980306e+00 3.96 -1.071377129e+00 -1.071377129e+00 3.98 -1.036639835e+00 -1.036639835e+00 4.00 -1.002743551e+00 -1.002743551e+00 4.02 -9.696648701e-01 -9.696648701e-01 4.04 -9.373833300e-01 -9.373833300e-01 4.06 -9.058828734e-01 -9.058828734e-01 4.08 -8.751530614e-01 -8.751530614e-01 4.10 -8.451898389e-01 -8.451898389e-01 4.12 -8.159957238e-01 -8.159957238e-01 4.14 -7.875792260e-01 -7.875792260e-01 4.16 -7.599536082e-01 -7.599536082e-01 4.18 -7.331349741e-01 -7.331349741e-01 4.20 -7.071399155e-01 -7.071399155e-01 4.22 -6.819829827e-01 -6.819829827e-01 4.24 -6.576742865e-01 -6.576742865e-01 4.26 -6.342175183e-01 -6.342175183e-01 4.28 -6.116085913e-01 -6.116085913e-01 4.30 -5.898349909e-01 -5.898349909e-01 4.32 -5.688757973e-01 -5.688757973e-01 4.34 -5.487022470e-01 -5.487022470e-01 4.36 -5.292786486e-01 -5.292786486e-01 4.38 -5.105634641e-01 -5.105634641e-01 4.40 -4.925104039e-01 -4.925104039e-01 4.42 -4.750694362e-01 -4.750694362e-01 4.44 -4.581876688e-01 -4.581876688e-01 4.46 -4.418101096e-01 -4.418101096e-01 4.48 -4.258803429e-01 -4.258803429e-01 4.50 -4.103411733e-01 -4.103411733e-01 4.52 -3.951352944e-01 -3.951352944e-01 4.54 -3.802060320e-01 -3.802060320e-01 4.56 -3.654982004e-01 -3.654982004e-01 4.58 -3.509590973e-01 -3.509590973e-01 4.60 -3.365396503e-01 -3.365396503e-01 4.62 -3.221957104e-01 -3.221957104e-01 4.64 -3.078894735e-01 -3.078894735e-01 4.66 -2.935909905e-01 -2.935909905e-01 4.68 -2.792797017e-01 -2.792797017e-01 4.70 -2.649459053e-01 -2.649459053e-01 4.72 -2.505920409e-01 -2.505920409e-01 4.74 -2.362336442e-01 -2.362336442e-01 4.76 -2.218998174e-01 -2.218998174e-01 4.78 -2.076330635e-01 -2.076330635e-01 4.80 -1.934883613e-01 -1.934883613e-01 4.82 -1.795314252e-01 -1.795314252e-01 4.84 -1.658361474e-01 -1.658361474e-01 4.86 -1.524813658e-01 -1.524813658e-01 4.88 -1.395471472e-01 -1.395471472e-01 4.90 -1.271108846e-01 -1.271108846e-01 4.92 -1.152435349e-01 -1.152435349e-01 4.94 -1.040063207e-01 -1.040063207e-01 4.96 -9.344816166e-02 -9.344816166e-02 4.98 -8.360401283e-02 -8.360401283e-02 5.00 -7.449418956e-02 -7.449418956e-02 5.02 -6.612459737e-02 -6.612459737e-02 5.04 -5.848776203e-02 -5.848776203e-02 5.06 -5.156445960e-02 -5.156445960e-02 5.08 -4.532572755e-02 -4.532572755e-02 5.10 -3.973540331e-02 -3.973540331e-02 5.12 -3.475234183e-02 -3.475234183e-02 5.14 -3.033065147e-02 -3.033065147e-02 5.16 -2.642299743e-02 -2.642299743e-02 5.18 -2.298214527e-02 -2.298214527e-02 5.20 -1.996208767e-02 -1.996208767e-02 5.22 -1.731888798e-02 -1.731888798e-02 5.24 -1.501126425e-02 -1.501126425e-02 5.26 -1.300085126e-02 -1.300085126e-02 5.28 -1.125226104e-02 -1.125226104e-02 5.30 -9.733968050e-03 -9.733968050e-03 5.32 -8.417537965e-03 -8.417537965e-03 5.34 -7.277471939e-03 -7.277471939e-03 5.36 -6.291072341e-03 -6.291072341e-03 5.38 -5.438258226e-03 -5.438258226e-03 5.40 -4.701353603e-03 -4.701353603e-03 5.42 -4.064864985e-03 -4.064864985e-03 5.44 -3.515259607e-03 -3.515259607e-03 5.46 -3.040751870e-03 -3.040751870e-03 5.48 -2.631102720e-03 -2.631102720e-03 5.50 -2.277434595e-03 -2.277434595e-03 5.52 -1.972063111e-03 -1.972063111e-03 5.54 -1.708345658e-03 -1.708345658e-03 5.56 -1.480546387e-03 -1.480546387e-03 5.58 -1.283716681e-03 -1.283716681e-03 5.60 -1.113589933e-03 -1.113589933e-03 5.62 -9.664893683e-04 -9.664893683e-04 5.64 -8.392475992e-04 -8.392475992e-04 5.66 -7.291366579e-04 -7.291366579e-04 5.68 -6.338072930e-04 -6.338072930e-04 5.70 -5.512364254e-04 -5.512364254e-04 5.72 -4.796817466e-04 -4.796817466e-04 5.74 -4.176425457e-04 -4.176425457e-04 5.76 -3.638259508e-04 -3.638259508e-04 5.78 -3.171178634e-04 -3.171178634e-04 5.80 -2.765579519e-04 -2.765579519e-04 5.82 -2.413181497e-04 -2.413181497e-04 5.84 -2.106841728e-04 -2.106841728e-04 5.86 -1.840396387e-04 -1.840396387e-04 5.88 -1.608524210e-04 -1.608524210e-04 5.90 -1.406629272e-04 -1.406629272e-04 5.92 -1.230740270e-04 -1.230740270e-04 5.94 -1.077423988e-04 -1.077423988e-04 5.96 -9.437109222e-05 -9.437109222e-05 5.98 -8.270313641e-05 -8.270313641e-05 6.00 -7.251604329e-05 -7.251604329e-05