# 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 = Co2MgTa # 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 2.750760394e+02 2.750760394e+02 1.30 2.537633301e+02 2.537633301e+02 1.32 2.340981569e+02 2.340981569e+02 1.34 2.159442088e+02 2.159442088e+02 1.36 1.991794752e+02 1.991794752e+02 1.38 1.836944762e+02 1.836944762e+02 1.40 1.693901703e+02 1.693901703e+02 1.42 1.561759248e+02 1.561759248e+02 1.44 1.439675261e+02 1.439675261e+02 1.46 1.326856707e+02 1.326856707e+02 1.48 1.222554211e+02 1.222554211e+02 1.50 1.126064406e+02 1.126064406e+02 1.52 1.036735046e+02 1.036735046e+02 1.54 9.539705795e+01 9.539705795e+01 1.56 8.772368381e+01 8.772368381e+01 1.58 8.060614953e+01 8.060614953e+01 1.60 7.400280308e+01 7.400280308e+01 1.62 6.787650765e+01 6.787650765e+01 1.64 6.219353333e+01 6.219353333e+01 1.66 5.692273952e+01 5.692273952e+01 1.68 5.203530855e+01 5.203530855e+01 1.70 4.750847025e+01 4.750847025e+01 1.72 4.331867146e+01 4.331867146e+01 1.74 3.944208024e+01 3.944208024e+01 1.76 3.585705984e+01 3.585705984e+01 1.78 3.254382321e+01 3.254382321e+01 1.80 2.948311565e+01 2.948311565e+01 1.82 2.665712618e+01 2.665712618e+01 1.84 2.404938097e+01 2.404938097e+01 1.86 2.164456621e+01 2.164456621e+01 1.88 1.942833398e+01 1.942833398e+01 1.90 1.738712550e+01 1.738712550e+01 1.92 1.550802681e+01 1.550802681e+01 1.94 1.377868057e+01 1.377868057e+01 1.96 1.218727089e+01 1.218727089e+01 1.98 1.072258473e+01 1.072258473e+01 2.00 9.374129456e+00 9.374129456e+00 2.02 8.132267762e+00 8.132267762e+00 2.04 6.988318855e+00 6.988318855e+00 2.06 5.934582264e+00 5.934582264e+00 2.08 4.964275246e+00 4.964275246e+00 2.10 4.071409264e+00 4.071409264e+00 2.12 3.250643974e+00 3.250643974e+00 2.14 2.497151023e+00 2.497151023e+00 2.16 1.806507291e+00 1.806507291e+00 2.18 1.174619028e+00 1.174619028e+00 2.20 5.976694699e-01 5.976694699e-01 2.22 7.207499229e-02 7.207499229e-02 2.24 -4.055566057e-01 -4.055566057e-01 2.26 -8.384676546e-01 -8.384676546e-01 2.28 -1.229789154e+00 -1.229789154e+00 2.30 -1.582568776e+00 -1.582568776e+00 2.32 -1.899718000e+00 -1.899718000e+00 2.34 -2.184072221e+00 -2.184072221e+00 2.36 -2.438690852e+00 -2.438690852e+00 2.38 -2.666466176e+00 -2.666466176e+00 2.40 -2.870055097e+00 -2.870055097e+00 2.42 -3.051844382e+00 -3.051844382e+00 2.44 -3.213792517e+00 -3.213792517e+00 2.46 -3.357208681e+00 -3.357208681e+00 2.48 -3.483294175e+00 -3.483294175e+00 2.50 -3.593233835e+00 -3.593233835e+00 2.52 -3.688178010e+00 -3.688178010e+00 2.54 -3.769238644e+00 -3.769238644e+00 2.56 -3.837494614e+00 -3.837494614e+00 2.58 -3.893997473e+00 -3.893997473e+00 2.60 -3.939789049e+00 -3.939789049e+00 2.62 -3.975908308e+00 -3.975908308e+00 2.64 -4.003190410e+00 -4.003190410e+00 2.66 -4.022377817e+00 -4.022377817e+00 2.68 -4.034126369e+00 -4.034126369e+00 2.70 -4.039008434e+00 -4.039008434e+00 2.72 -4.037527693e+00 -4.037527693e+00 2.74 -4.030137560e+00 -4.030137560e+00 2.76 -4.017257077e+00 -4.017257077e+00 2.78 -3.999262572e+00 -3.999262572e+00 2.80 -3.976428598e+00 -3.976428598e+00 2.82 -3.949007653e+00 -3.949007653e+00 2.84 -3.917260285e+00 -3.917260285e+00 2.86 -3.881450968e+00 -3.881450968e+00 2.88 -3.841845080e+00 -3.841845080e+00 2.90 -3.798706959e+00 -3.798706959e+00 2.92 -3.752299192e+00 -3.752299192e+00 2.94 -3.702883069e+00 -3.702883069e+00 2.96 -3.650719894e+00 -3.650719894e+00 2.98 -3.596072549e+00 -3.596072549e+00 3.00 -3.539206338e+00 -3.539206338e+00 3.02 -3.480388011e+00 -3.480388011e+00 3.04 -3.419881846e+00 -3.419881846e+00 3.06 -3.357944548e+00 -3.357944548e+00 3.08 -3.294815612e+00 -3.294815612e+00 3.10 -3.230711577e+00 -3.230711577e+00 3.12 -3.165821139e+00 -3.165821139e+00 3.14 -3.100305443e+00 -3.100305443e+00 3.16 -3.034300514e+00 -3.034300514e+00 3.18 -2.967924123e+00 -2.967924123e+00 3.20 -2.901282691e+00 -2.901282691e+00 3.22 -2.834484937e+00 -2.834484937e+00 3.24 -2.767661105e+00 -2.767661105e+00 3.26 -2.700865790e+00 -2.700865790e+00 3.28 -2.634156670e+00 -2.634156670e+00 3.30 -2.567609189e+00 -2.567609189e+00 3.32 -2.501311935e+00 -2.501311935e+00 3.34 -2.435285313e+00 -2.435285313e+00 3.36 -2.369480954e+00 -2.369480954e+00 3.38 -2.303895781e+00 -2.303895781e+00 3.40 -2.238568517e+00 -2.238568517e+00 3.42 -2.173566296e+00 -2.173566296e+00 3.44 -2.108970473e+00 -2.108970473e+00 3.46 -2.044864087e+00 -2.044864087e+00 3.48 -1.981321529e+00 -1.981321529e+00 3.50 -1.918401420e+00 -1.918401420e+00 3.52 -1.856142846e+00 -1.856142846e+00 3.54 -1.794564712e+00 -1.794564712e+00 3.56 -1.733667716e+00 -1.733667716e+00 3.58 -1.673438312e+00 -1.673438312e+00 3.60 -1.613854034e+00 -1.613854034e+00 3.62 -1.554889624e+00 -1.554889624e+00 3.64 -1.496523457e+00 -1.496523457e+00 3.66 -1.438743846e+00 -1.438743846e+00 3.68 -1.381554815e+00 -1.381554815e+00 3.70 -1.324980940e+00 -1.324980940e+00 3.72 -1.269070876e+00 -1.269070876e+00 3.74 -1.213899198e+00 -1.213899198e+00 3.76 -1.159566276e+00 -1.159566276e+00 3.78 -1.106196023e+00 -1.106196023e+00 3.80 -1.053931540e+00 -1.053931540e+00 3.82 -1.002928902e+00 -1.002928902e+00 3.84 -9.533495428e-01 -9.533495428e-01 3.86 -9.053518748e-01 -9.053518748e-01 3.88 -8.590828893e-01 -8.590828893e-01 3.90 -8.146704930e-01 -8.146704930e-01 3.92 -7.722171142e-01 -7.722171142e-01 3.94 -7.317958880e-01 -7.317958880e-01 3.96 -6.934475329e-01 -6.934475329e-01 3.98 -6.571808696e-01 -6.571808696e-01 4.00 -6.229744423e-01 -6.229744423e-01 4.02 -5.907798186e-01 -5.907798186e-01 4.04 -5.605259260e-01 -5.605259260e-01 4.06 -5.321239542e-01 -5.321239542e-01 4.08 -5.054724020e-01 -5.054724020e-01 4.10 -4.804616753e-01 -4.804616753e-01 4.12 -4.569796497e-01 -4.569796497e-01 4.14 -4.349137911e-01 -4.349137911e-01 4.16 -4.141556538e-01 -4.141556538e-01 4.18 -3.946031239e-01 -3.946031239e-01 4.20 -3.761623111e-01 -3.761623111e-01 4.22 -3.587487455e-01 -3.587487455e-01 4.24 -3.422878807e-01 -3.422878807e-01 4.26 -3.267149184e-01 -3.267149184e-01 4.28 -3.119740056e-01 -3.119740056e-01 4.30 -2.980169103e-01 -2.980169103e-01 4.32 -2.848013386e-01 -2.848013386e-01 4.34 -2.722891096e-01 -2.722891096e-01 4.36 -2.604444160e-01 -2.604444160e-01 4.38 -2.492323767e-01 -2.492323767e-01 4.40 -2.386180181e-01 -2.386180181e-01 4.42 -2.285657334e-01 -2.285657334e-01 4.44 -2.190391808e-01 -2.190391808e-01 4.46 -2.100015187e-01 -2.100015187e-01 4.48 -2.014158470e-01 -2.014158470e-01 4.50 -1.932457247e-01 -1.932457247e-01 4.52 -1.854556648e-01 -1.854556648e-01 4.54 -1.780115402e-01 -1.780115402e-01 4.56 -1.708808746e-01 -1.708808746e-01 4.58 -1.640330161e-01 -1.640330161e-01 4.60 -1.574392164e-01 -1.574392164e-01 4.62 -1.510726428e-01 -1.510726428e-01 4.64 -1.449083576e-01 -1.449083576e-01 4.66 -1.389232955e-01 -1.389232955e-01 4.68 -1.330962676e-01 -1.330962676e-01 4.70 -1.274080129e-01 -1.274080129e-01 4.72 -1.218413145e-01 -1.218413145e-01 4.74 -1.163811867e-01 -1.163811867e-01 4.76 -1.110151344e-01 -1.110151344e-01 4.78 -1.057334719e-01 -1.057334719e-01 4.80 -1.005294778e-01 -1.005294778e-01 4.82 -9.540057893e-02 -9.540057893e-02 4.84 -9.034734389e-02 -9.034734389e-02 4.86 -8.537458205e-02 -8.537458205e-02 4.88 -8.049110538e-02 -8.049110538e-02 4.90 -7.570949116e-02 -7.570949116e-02 4.92 -7.104556315e-02 -7.104556315e-02 4.94 -6.651758257e-02 -6.651758257e-02 4.96 -6.214518313e-02 -6.214518313e-02 4.98 -5.794811460e-02 -5.794811460e-02 5.00 -5.394492842e-02 -5.394492842e-02 5.02 -5.015173994e-02 -5.015173994e-02 5.04 -4.658118479e-02 -4.658118479e-02 5.06 -4.324168514e-02 -4.324168514e-02 5.08 -4.013657680e-02 -4.013657680e-02 5.10 -3.726477535e-02 -3.726477535e-02 5.12 -3.462188825e-02 -3.462188825e-02 5.14 -3.219961283e-02 -3.219961283e-02 5.16 -2.998653678e-02 -2.998653678e-02 5.18 -2.796890941e-02 -2.796890941e-02 5.20 -2.613167381e-02 -2.613167381e-02 5.22 -2.445921636e-02 -2.445921636e-02 5.24 -2.293588586e-02 -2.293588586e-02 5.26 -2.154649699e-02 -2.154649699e-02 5.28 -2.027669786e-02 -2.027669786e-02 5.30 -1.911321540e-02 -1.911321540e-02 5.32 -1.804399819e-02 -1.804399819e-02 5.34 -1.705827691e-02 -1.705827691e-02 5.36 -1.614654134e-02 -1.614654134e-02 5.38 -1.530052516e-02 -1.530052516e-02 5.40 -1.451312755e-02 -1.451312755e-02 5.42 -1.377829390e-02 -1.377829390e-02 5.44 -1.309089893e-02 -1.309089893e-02 5.46 -1.244662275e-02 -1.244662275e-02 5.48 -1.184182553e-02 -1.184182553e-02 5.50 -1.127342562e-02 -1.127342562e-02 5.52 -1.073878541e-02 -1.073878541e-02 5.54 -1.023560874e-02 -1.023560874e-02 5.56 -9.761852571e-03 -9.761852571e-03 5.58 -9.315654955e-03 -9.315654955e-03 5.60 -8.895279649e-03 -8.895279649e-03 5.62 -8.499076882e-03 -8.499076882e-03 5.64 -8.125458459e-03 -8.125458459e-03 5.66 -7.772884711e-03 -7.772884711e-03 5.68 -7.439860402e-03 -7.439860402e-03 5.70 -7.124936664e-03 -7.124936664e-03 5.72 -6.826716351e-03 -6.826716351e-03 5.74 -6.543860680e-03 -6.543860680e-03 5.76 -6.275095598e-03 -6.275095598e-03 5.78 -6.019216889e-03 -6.019216889e-03 5.80 -5.775093539e-03 -5.775093539e-03 5.82 -5.541669229e-03 -5.541669229e-03 5.84 -5.317962125e-03 -5.317962125e-03 5.86 -5.103063288e-03 -5.103063288e-03 5.88 -4.896134097e-03 -4.896134097e-03 5.90 -4.696403106e-03 -4.696403106e-03 5.92 -4.503162718e-03 -4.503162718e-03 5.94 -4.315766036e-03 -4.315766036e-03 5.96 -4.133624146e-03 -4.133624146e-03 5.98 -3.956204081e-03 -3.956204081e-03 6.00 -3.783027580e-03 -3.783027580e-03