# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = MoTaZr2 # 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 2025-12-17 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 4.712740022e+02 4.712740022e+02 1.08 4.331725631e+02 4.331725631e+02 1.10 3.985013908e+02 3.985013908e+02 1.12 3.666438658e+02 3.666438658e+02 1.14 3.369951714e+02 3.369951714e+02 1.16 3.100157224e+02 3.100157224e+02 1.18 2.854908325e+02 2.854908325e+02 1.20 2.625766220e+02 2.625766220e+02 1.22 2.413602498e+02 2.413602498e+02 1.24 2.220259361e+02 2.220259361e+02 1.26 2.042403343e+02 2.042403343e+02 1.28 1.878593795e+02 1.878593795e+02 1.30 1.731730880e+02 1.731730880e+02 1.32 1.599013022e+02 1.599013022e+02 1.34 1.477899541e+02 1.477899541e+02 1.36 1.365022186e+02 1.365022186e+02 1.38 1.260776121e+02 1.260776121e+02 1.40 1.165023729e+02 1.165023729e+02 1.42 1.076030270e+02 1.076030270e+02 1.44 9.938847577e+01 9.938847577e+01 1.46 9.173241328e+01 9.173241328e+01 1.48 8.458401885e+01 8.458401885e+01 1.50 7.794736571e+01 7.794736571e+01 1.52 7.178729913e+01 7.178729913e+01 1.54 6.611991847e+01 6.611991847e+01 1.56 6.092139399e+01 6.092139399e+01 1.58 5.615123670e+01 5.615123670e+01 1.60 5.173203943e+01 5.173203943e+01 1.62 4.763514079e+01 4.763514079e+01 1.64 4.383772754e+01 4.383772754e+01 1.66 4.033819731e+01 4.033819731e+01 1.68 3.714233633e+01 3.714233633e+01 1.70 3.425169466e+01 3.425169466e+01 1.72 3.165472002e+01 3.165472002e+01 1.74 2.929977011e+01 2.929977011e+01 1.76 2.709745507e+01 2.709745507e+01 1.78 2.501729313e+01 2.501729313e+01 1.80 2.306002235e+01 2.306002235e+01 1.82 2.118559041e+01 2.118559041e+01 1.84 1.949129624e+01 1.949129624e+01 1.86 1.786438480e+01 1.786438480e+01 1.88 1.640198344e+01 1.640198344e+01 1.90 1.510618842e+01 1.510618842e+01 1.92 1.396165575e+01 1.396165575e+01 1.94 1.293548930e+01 1.293548930e+01 1.96 1.197732478e+01 1.197732478e+01 1.98 1.103862181e+01 1.103862181e+01 2.00 1.009219492e+01 1.009219492e+01 2.02 9.182817439e+00 9.182817439e+00 2.04 8.364301191e+00 8.364301191e+00 2.06 7.660049555e+00 7.660049555e+00 2.08 7.045410262e+00 7.045410262e+00 2.10 6.498796459e+00 6.498796459e+00 2.12 5.985340242e+00 5.985340242e+00 2.14 5.453048078e+00 5.453048078e+00 2.16 4.888299362e+00 4.888299362e+00 2.18 4.307817719e+00 4.307817719e+00 2.20 3.714020106e+00 3.714020106e+00 2.22 3.024858744e+00 3.024858744e+00 2.24 2.390128422e+00 2.390128422e+00 2.26 1.811633874e+00 1.811633874e+00 2.28 1.257942575e+00 1.257942575e+00 2.30 6.092982075e-01 6.092982075e-01 2.32 -1.577439532e-02 -1.577439532e-02 2.34 -6.061403683e-01 -6.061403683e-01 2.36 -1.157362444e+00 -1.157362444e+00 2.38 -1.701360289e+00 -1.701360289e+00 2.40 -2.210608801e+00 -2.210608801e+00 2.42 -2.667822932e+00 -2.667822932e+00 2.44 -3.106588548e+00 -3.106588548e+00 2.46 -3.494352803e+00 -3.494352803e+00 2.48 -3.834965892e+00 -3.834965892e+00 2.50 -4.137180913e+00 -4.137180913e+00 2.52 -4.407421647e+00 -4.407421647e+00 2.54 -4.652238008e+00 -4.652238008e+00 2.56 -4.874523136e+00 -4.874523136e+00 2.58 -5.078297779e+00 -5.078297779e+00 2.60 -5.276922335e+00 -5.276922335e+00 2.62 -5.478747621e+00 -5.478747621e+00 2.64 -5.676319952e+00 -5.676319952e+00 2.66 -5.864754291e+00 -5.864754291e+00 2.68 -6.033792242e+00 -6.033792242e+00 2.70 -6.174618366e+00 -6.174618366e+00 2.72 -6.294305693e+00 -6.294305693e+00 2.74 -6.387168481e+00 -6.387168481e+00 2.76 -6.465882230e+00 -6.465882230e+00 2.78 -6.536036963e+00 -6.536036963e+00 2.80 -6.597982193e+00 -6.597982193e+00 2.82 -6.656503003e+00 -6.656503003e+00 2.84 -6.709578802e+00 -6.709578802e+00 2.86 -6.752230034e+00 -6.752230034e+00 2.88 -6.785064566e+00 -6.785064566e+00 2.90 -6.816113403e+00 -6.816113403e+00 2.92 -6.842270753e+00 -6.842270753e+00 2.94 -6.852601892e+00 -6.852601892e+00 2.96 -6.846519057e+00 -6.846519057e+00 2.98 -6.827697278e+00 -6.827697278e+00 3.00 -6.798027184e+00 -6.798027184e+00 3.02 -6.758062320e+00 -6.758062320e+00 3.04 -6.707585939e+00 -6.707585939e+00 3.06 -6.648835426e+00 -6.648835426e+00 3.08 -6.586989691e+00 -6.586989691e+00 3.10 -6.528893259e+00 -6.528893259e+00 3.12 -6.476623312e+00 -6.476623312e+00 3.14 -6.424211059e+00 -6.424211059e+00 3.16 -6.368139591e+00 -6.368139591e+00 3.18 -6.304238306e+00 -6.304238306e+00 3.20 -6.236383300e+00 -6.236383300e+00 3.22 -6.163785178e+00 -6.163785178e+00 3.24 -6.102415085e+00 -6.102415085e+00 3.26 -6.050792892e+00 -6.050792892e+00 3.28 -5.995719158e+00 -5.995719158e+00 3.30 -5.937618020e+00 -5.937618020e+00 3.32 -5.876107764e+00 -5.876107764e+00 3.34 -5.810998832e+00 -5.810998832e+00 3.36 -5.742409978e+00 -5.742409978e+00 3.38 -5.671007417e+00 -5.671007417e+00 3.40 -5.598327811e+00 -5.598327811e+00 3.42 -5.526810772e+00 -5.526810772e+00 3.44 -5.458230449e+00 -5.458230449e+00 3.46 -5.392862751e+00 -5.392862751e+00 3.48 -5.330261214e+00 -5.330261214e+00 3.50 -5.269751186e+00 -5.269751186e+00 3.52 -5.210668671e+00 -5.210668671e+00 3.54 -5.151841310e+00 -5.151841310e+00 3.56 -5.090850538e+00 -5.090850538e+00 3.58 -5.025867190e+00 -5.025867190e+00 3.60 -4.956538049e+00 -4.956538049e+00 3.62 -4.883576593e+00 -4.883576593e+00 3.64 -4.808030653e+00 -4.808030653e+00 3.66 -4.728592677e+00 -4.728592677e+00 3.68 -4.641748433e+00 -4.641748433e+00 3.70 -4.543710945e+00 -4.543710945e+00 3.72 -4.431014987e+00 -4.431014987e+00 3.74 -4.306702593e+00 -4.306702593e+00 3.76 -4.182769062e+00 -4.182769062e+00 3.78 -4.070756320e+00 -4.070756320e+00 3.80 -3.981264895e+00 -3.981264895e+00 3.82 -3.898879670e+00 -3.898879670e+00 3.84 -3.813394705e+00 -3.813394705e+00 3.86 -3.722942235e+00 -3.722942235e+00 3.88 -3.625065494e+00 -3.625065494e+00 3.90 -3.516994892e+00 -3.516994892e+00 3.92 -3.396082231e+00 -3.396082231e+00 3.94 -3.260338366e+00 -3.260338366e+00 3.96 -3.111070074e+00 -3.111070074e+00 3.98 -2.953186000e+00 -2.953186000e+00 4.00 -2.794395307e+00 -2.794395307e+00 4.02 -2.644372539e+00 -2.644372539e+00 4.04 -2.512707399e+00 -2.512707399e+00 4.06 -2.404104651e+00 -2.404104651e+00 4.08 -2.314862237e+00 -2.314862237e+00 4.10 -2.238265443e+00 -2.238265443e+00 4.12 -2.167466361e+00 -2.167466361e+00 4.14 -2.098642967e+00 -2.098642967e+00 4.16 -2.032659432e+00 -2.032659432e+00 4.18 -1.970632010e+00 -1.970632010e+00 4.20 -1.913187640e+00 -1.913187640e+00 4.22 -1.860370681e+00 -1.860370681e+00 4.24 -1.811607603e+00 -1.811607603e+00 4.26 -1.765805572e+00 -1.765805572e+00 4.28 -1.721851290e+00 -1.721851290e+00 4.30 -1.678714401e+00 -1.678714401e+00 4.32 -1.635456755e+00 -1.635456755e+00 4.34 -1.591534530e+00 -1.591534530e+00 4.36 -1.547728413e+00 -1.547728413e+00 4.38 -1.505045301e+00 -1.505045301e+00 4.40 -1.464326197e+00 -1.464326197e+00 4.42 -1.426251801e+00 -1.426251801e+00 4.44 -1.391401360e+00 -1.391401360e+00 4.46 -1.360165626e+00 -1.360165626e+00 4.48 -1.332212672e+00 -1.332212672e+00 4.50 -1.306702746e+00 -1.306702746e+00 4.52 -1.282777112e+00 -1.282777112e+00 4.54 -1.259591535e+00 -1.259591535e+00 4.56 -1.236295702e+00 -1.236295702e+00 4.58 -1.212036877e+00 -1.212036877e+00 4.60 -1.186037510e+00 -1.186037510e+00 4.62 -1.158179927e+00 -1.158179927e+00 4.64 -1.128790801e+00 -1.128790801e+00 4.66 -1.098226671e+00 -1.098226671e+00 4.68 -1.066898553e+00 -1.066898553e+00 4.70 -1.035449716e+00 -1.035449716e+00 4.72 -1.004778892e+00 -1.004778892e+00 4.74 -9.757357181e-01 -9.757357181e-01 4.76 -9.485767547e-01 -9.485767547e-01 4.78 -9.233753134e-01 -9.233753134e-01 4.80 -9.001645500e-01 -9.001645500e-01 4.82 -8.789335908e-01 -8.789335908e-01 4.84 -8.596487243e-01 -8.596487243e-01 4.86 -8.422646101e-01 -8.422646101e-01 4.88 -8.267123913e-01 -8.267123913e-01 4.90 -8.129435125e-01 -8.129435125e-01 4.92 -8.008439715e-01 -8.008439715e-01 4.94 -7.898250035e-01 -7.898250035e-01 4.96 -7.791200013e-01 -7.791200013e-01 4.98 -7.679619996e-01 -7.679619996e-01 5.00 -7.556034369e-01 -7.556034369e-01 5.02 -7.414983641e-01 -7.414983641e-01 5.04 -7.253012299e-01 -7.253012299e-01 5.06 -7.072753983e-01 -7.072753983e-01 5.08 -6.878262877e-01 -6.878262877e-01 5.10 -6.673547325e-01 -6.673547325e-01 5.12 -6.462545503e-01 -6.462545503e-01 5.14 -6.249010346e-01 -6.249010346e-01 5.16 -6.034716821e-01 -6.034716821e-01 5.18 -5.816426407e-01 -5.816426407e-01 5.20 -5.590174304e-01 -5.590174304e-01 5.22 -5.352053008e-01 -5.352053008e-01 5.24 -5.098155640e-01 -5.098155640e-01 5.26 -4.825020547e-01 -4.825020547e-01 5.28 -4.541156536e-01 -4.541156536e-01 5.30 -4.266035127e-01 -4.266035127e-01 5.32 -4.018835719e-01 -4.018835719e-01 5.34 -3.818685413e-01 -3.818685413e-01 5.36 -3.684718595e-01 -3.684718595e-01 5.38 -3.616743439e-01 -3.616743439e-01 5.40 -3.554947273e-01 -3.554947273e-01 5.42 -3.492341878e-01 -3.492341878e-01 5.44 -3.429122501e-01 -3.429122501e-01 5.46 -3.365591316e-01 -3.365591316e-01 5.48 -3.302064201e-01 -3.302064201e-01 5.50 -3.238875413e-01 -3.238875413e-01 5.52 -3.176376024e-01 -3.176376024e-01 5.54 -3.114952500e-01 -3.114952500e-01 5.56 -3.054908138e-01 -3.054908138e-01 5.58 -2.996191065e-01 -2.996191065e-01 5.60 -2.938712585e-01 -2.938712585e-01 5.62 -2.882379818e-01 -2.882379818e-01 5.64 -2.827083112e-01 -2.827083112e-01 5.66 -2.772694043e-01 -2.772694043e-01 5.68 -2.718554614e-01 -2.718554614e-01 5.70 -2.662615021e-01 -2.662615021e-01 5.72 -2.602912801e-01 -2.602912801e-01 5.74 -2.537519797e-01 -2.537519797e-01 5.76 -2.464538756e-01 -2.464538756e-01 5.78 -2.382100667e-01 -2.382100667e-01 5.80 -2.288370908e-01 -2.288370908e-01 5.82 -2.183423140e-01 -2.183423140e-01 5.84 -2.070951582e-01 -2.070951582e-01 5.86 -1.955042462e-01 -1.955042462e-01 5.88 -1.839772544e-01 -1.839772544e-01 5.90 -1.729220399e-01 -1.729220399e-01 5.92 -1.627464774e-01 -1.627464774e-01 5.94 -1.538350565e-01 -1.538350565e-01 5.96 -1.460510872e-01 -1.460510872e-01 5.98 -1.386975290e-01 -1.386975290e-01 6.00 -1.310421485e-01 -1.310421485e-01