# 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 = Cu2FeMo # 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 1.602353768e+02 1.602353768e+02 1.30 1.469122722e+02 1.469122722e+02 1.32 1.346765783e+02 1.346765783e+02 1.34 1.234274027e+02 1.234274027e+02 1.36 1.130725722e+02 1.130725722e+02 1.38 1.035298293e+02 1.035298293e+02 1.40 9.472738139e+01 9.472738139e+01 1.42 8.660362685e+01 8.660362685e+01 1.44 7.910568439e+01 7.910568439e+01 1.46 7.218708748e+01 7.218708748e+01 1.48 6.580561726e+01 6.580561726e+01 1.50 5.992204184e+01 5.992204184e+01 1.52 5.449978967e+01 5.449978967e+01 1.54 4.950496252e+01 4.950496252e+01 1.56 4.490617917e+01 4.490617917e+01 1.58 4.067431275e+01 4.067431275e+01 1.60 3.678246439e+01 3.678246439e+01 1.62 3.320818403e+01 3.320818403e+01 1.64 2.992981096e+01 2.992981096e+01 1.66 2.692614918e+01 2.692614918e+01 1.68 2.417714528e+01 2.417714528e+01 1.70 2.166312861e+01 2.166312861e+01 1.72 1.936467688e+01 1.936467688e+01 1.74 1.726247308e+01 1.726247308e+01 1.76 1.533764908e+01 1.533764908e+01 1.78 1.357238091e+01 1.357238091e+01 1.80 1.195050509e+01 1.195050509e+01 1.82 1.045796367e+01 1.045796367e+01 1.84 9.082964248e+00 9.082964248e+00 1.86 7.815840345e+00 7.815840345e+00 1.88 6.648685598e+00 6.648685598e+00 1.90 5.574883586e+00 5.574883586e+00 1.92 4.588653894e+00 4.588653894e+00 1.94 3.684698457e+00 3.684698457e+00 1.96 2.857977433e+00 2.857977433e+00 1.98 2.103594273e+00 2.103594273e+00 2.00 1.416747258e+00 1.416747258e+00 2.02 7.927125009e-01 7.927125009e-01 2.04 2.268428878e-01 2.268428878e-01 2.06 -2.854191997e-01 -2.854191997e-01 2.08 -7.485138076e-01 -7.485138076e-01 2.10 -1.166719896e+00 -1.166719896e+00 2.12 -1.544100068e+00 -1.544100068e+00 2.14 -1.884442339e+00 -1.884442339e+00 2.16 -2.191211850e+00 -2.191211850e+00 2.18 -2.467525024e+00 -2.467525024e+00 2.20 -2.716152558e+00 -2.716152558e+00 2.22 -2.939549067e+00 -2.939549067e+00 2.24 -3.139897354e+00 -3.139897354e+00 2.26 -3.318981668e+00 -3.318981668e+00 2.28 -3.478762233e+00 -3.478762233e+00 2.30 -3.621212051e+00 -3.621212051e+00 2.32 -3.748125867e+00 -3.748125867e+00 2.34 -3.861123967e+00 -3.861123967e+00 2.36 -3.961625730e+00 -3.961625730e+00 2.38 -4.050758033e+00 -4.050758033e+00 2.40 -4.129142801e+00 -4.129142801e+00 2.42 -4.197217967e+00 -4.197217967e+00 2.44 -4.255362112e+00 -4.255362112e+00 2.46 -4.303914683e+00 -4.303914683e+00 2.48 -4.343200948e+00 -4.343200948e+00 2.50 -4.373552384e+00 -4.373552384e+00 2.52 -4.395318922e+00 -4.395318922e+00 2.54 -4.408873448e+00 -4.408873448e+00 2.56 -4.414610827e+00 -4.414610827e+00 2.58 -4.412945141e+00 -4.412945141e+00 2.60 -4.404306915e+00 -4.404306915e+00 2.62 -4.389320212e+00 -4.389320212e+00 2.64 -4.368697051e+00 -4.368697051e+00 2.66 -4.342443193e+00 -4.342443193e+00 2.68 -4.310628137e+00 -4.310628137e+00 2.70 -4.273415530e+00 -4.273415530e+00 2.72 -4.231050730e+00 -4.231050730e+00 2.74 -4.183825359e+00 -4.183825359e+00 2.76 -4.131937954e+00 -4.131937954e+00 2.78 -4.075584130e+00 -4.075584130e+00 2.80 -4.015040355e+00 -4.015040355e+00 2.82 -3.950599718e+00 -3.950599718e+00 2.84 -3.882552443e+00 -3.882552443e+00 2.86 -3.811187392e+00 -3.811187392e+00 2.88 -3.736796440e+00 -3.736796440e+00 2.90 -3.659679229e+00 -3.659679229e+00 2.92 -3.580146652e+00 -3.580146652e+00 2.94 -3.498522021e+00 -3.498522021e+00 2.96 -3.415139358e+00 -3.415139358e+00 2.98 -3.330338446e+00 -3.330338446e+00 3.00 -3.244456665e+00 -3.244456665e+00 3.02 -3.157818187e+00 -3.157818187e+00 3.04 -3.070721760e+00 -3.070721760e+00 3.06 -2.983428832e+00 -2.983428832e+00 3.08 -2.896153944e+00 -2.896153944e+00 3.10 -2.809059030e+00 -2.809059030e+00 3.12 -2.722252627e+00 -2.722252627e+00 3.14 -2.635794166e+00 -2.635794166e+00 3.16 -2.549702770e+00 -2.549702770e+00 3.18 -2.463969449e+00 -2.463969449e+00 3.20 -2.378571270e+00 -2.378571270e+00 3.22 -2.293486101e+00 -2.293486101e+00 3.24 -2.208706586e+00 -2.208706586e+00 3.26 -2.124252279e+00 -2.124252279e+00 3.28 -2.040179107e+00 -2.040179107e+00 3.30 -1.956585577e+00 -1.956585577e+00 3.32 -1.873615448e+00 -1.873615448e+00 3.34 -1.791456787e+00 -1.791456787e+00 3.36 -1.710337567e+00 -1.710337567e+00 3.38 -1.630518139e+00 -1.630518139e+00 3.40 -1.552281080e+00 -1.552281080e+00 3.42 -1.475919076e+00 -1.475919076e+00 3.44 -1.401721620e+00 -1.401721620e+00 3.46 -1.329961481e+00 -1.329961481e+00 3.48 -1.260881915e+00 -1.260881915e+00 3.50 -1.194685635e+00 -1.194685635e+00 3.52 -1.131526385e+00 -1.131526385e+00 3.54 -1.071503728e+00 -1.071503728e+00 3.56 -1.014661338e+00 -1.014661338e+00 3.58 -9.609887099e-01 -9.609887099e-01 3.60 -9.104258711e-01 -9.104258711e-01 3.62 -8.628704631e-01 -8.628704631e-01 3.64 -8.181864164e-01 -8.181864164e-01 3.66 -7.762134368e-01 -7.762134368e-01 3.68 -7.367765883e-01 -7.367765883e-01 3.70 -6.996953730e-01 -6.996953730e-01 3.72 -6.647918292e-01 -6.647918292e-01 3.74 -6.318972843e-01 -6.318972843e-01 3.76 -6.008574869e-01 -6.008574869e-01 3.78 -5.715359239e-01 -5.715359239e-01 3.80 -5.438152241e-01 -5.438152241e-01 3.82 -5.175966684e-01 -5.175966684e-01 3.84 -4.927979954e-01 -4.927979954e-01 3.86 -4.693498713e-01 -4.693498713e-01 3.88 -4.471915597e-01 -4.471915597e-01 3.90 -4.262664266e-01 -4.262664266e-01 3.92 -4.065179003e-01 -4.065179003e-01 3.94 -3.878863790e-01 -3.878863790e-01 3.96 -3.703073623e-01 -3.703073623e-01 3.98 -3.537108373e-01 -3.537108373e-01 4.00 -3.380217416e-01 -3.380217416e-01 4.02 -3.231611947e-01 -3.231611947e-01 4.04 -3.090481474e-01 -3.090481474e-01 4.06 -2.956011411e-01 -2.956011411e-01 4.08 -2.827399549e-01 -2.827399549e-01 4.10 -2.703869139e-01 -2.703869139e-01 4.12 -2.584678353e-01 -2.584678353e-01 4.14 -2.469139161e-01 -2.469139161e-01 4.16 -2.356615705e-01 -2.356615705e-01 4.18 -2.246530214e-01 -2.246530214e-01 4.20 -2.138369832e-01 -2.138369832e-01 4.22 -2.031693633e-01 -2.031693633e-01 4.24 -1.926140334e-01 -1.926140334e-01 4.26 -1.821436812e-01 -1.821436812e-01 4.28 -1.717407048e-01 -1.717407048e-01 4.30 -1.613980679e-01 -1.613980679e-01 4.32 -1.511199916e-01 -1.511199916e-01 4.34 -1.409223268e-01 -1.409223268e-01 4.36 -1.308324380e-01 -1.308324380e-01 4.38 -1.208884473e-01 -1.208884473e-01 4.40 -1.111377366e-01 -1.111377366e-01 4.42 -1.016346886e-01 -1.016346886e-01 4.44 -9.243775807e-02 -9.243775807e-02 4.46 -8.360607458e-02 -8.360607458e-02 4.48 -7.519587633e-02 -7.519587633e-02 4.50 -6.725712240e-02 -6.725712240e-02 4.52 -5.983062485e-02 -5.983062485e-02 4.54 -5.294597372e-02 -5.294597372e-02 4.56 -4.662041316e-02 -4.662041316e-02 4.58 -4.085870085e-02 -4.085870085e-02 4.60 -3.565384703e-02 -3.565384703e-02 4.62 -3.098853810e-02 -3.098853810e-02 4.64 -2.683700935e-02 -2.683700935e-02 4.66 -2.316713366e-02 -2.316713366e-02 4.68 -1.994251826e-02 -1.994251826e-02 4.70 -1.712441919e-02 -1.712441919e-02 4.72 -1.467280107e-02 -1.467280107e-02 4.74 -1.254891350e-02 -1.254891350e-02 4.76 -1.071606266e-02 -1.071606266e-02 4.78 -9.139580627e-03 -9.139580627e-03 4.80 -7.787381994e-03 -7.787381994e-03 4.82 -6.630257579e-03 -6.630257579e-03 4.84 -5.641969807e-03 -5.641969807e-03 4.86 -4.799207191e-03 -4.799207191e-03 4.88 -4.081443886e-03 -4.081443886e-03 4.90 -3.470740998e-03 -3.470740998e-03 4.92 -2.951516999e-03 -2.951516999e-03 4.94 -2.510306950e-03 -2.510306950e-03 4.96 -2.135524094e-03 -2.135524094e-03 4.98 -1.817232608e-03 -1.817232608e-03 5.00 -1.546936754e-03 -1.546936754e-03 5.02 -1.317389138e-03 -1.317389138e-03 5.04 -1.122418965e-03 -1.122418965e-03 5.06 -9.567800591e-04 -9.567800591e-04 5.08 -8.160176248e-04 -8.160176248e-04 5.10 -6.963523223e-04 -6.963523223e-04 5.12 -5.945800277e-04 -5.945800277e-04 5.14 -5.079855813e-04 -5.079855813e-04 5.16 -4.342688713e-04 -4.342688713e-04 5.18 -3.714816966e-04 -3.714816966e-04 5.20 -3.179739779e-04 -3.179739779e-04 5.22 -2.723480326e-04 -2.723480326e-04 5.24 -2.334197697e-04 -2.334197697e-04 5.26 -2.001858027e-04 -2.001858027e-04 5.28 -1.717956059e-04 -1.717956059e-04 5.30 -1.475279603e-04 -1.475279603e-04 5.32 -1.267710395e-04 -1.267710395e-04 5.34 -1.090055785e-04 -1.090055785e-04 5.36 -9.379065289e-05 -9.379065289e-05 5.38 -8.075166420e-05 -8.075166420e-05 5.40 -6.957018827e-05 -6.957018827e-05 5.42 -5.997539794e-05 -5.997539794e-05 5.44 -5.173681379e-05 -5.173681379e-05 5.46 -4.465817586e-05 -4.465817586e-05 5.48 -3.857226132e-05 -3.857226132e-05 5.50 -3.333650033e-05 -3.333650033e-05 5.52 -2.882926568e-05 -2.882926568e-05 5.54 -2.494673114e-05 -2.494673114e-05 5.56 -2.160021007e-05 -2.160021007e-05 5.58 -1.871389971e-05 -1.871389971e-05 5.60 -1.622296822e-05 -1.622296822e-05 5.62 -1.407193162e-05 -1.407193162e-05 5.64 -1.221327571e-05 -1.221327571e-05 5.66 -1.060628552e-05 -1.060628552e-05 5.68 -9.216050219e-06 -9.216050219e-06 5.70 -8.012616887e-06 -8.012616887e-06 5.72 -6.970270269e-06 -6.970270269e-06 5.74 -6.066919466e-06 -6.066919466e-06 5.76 -5.283575340e-06 -5.283575340e-06 5.78 -4.603904928e-06 -4.603904928e-06 5.80 -4.013851299e-06 -4.013851299e-06 5.82 -3.501309022e-06 -3.501309022e-06 5.84 -3.055846952e-06 -3.055846952e-06 5.86 -2.668471271e-06 -2.668471271e-06 5.88 -2.331422827e-06 -2.331422827e-06 5.90 -2.038003691e-06 -2.038003691e-06 5.92 -1.782428631e-06 -1.782428631e-06 5.94 -1.559697840e-06 -1.559697840e-06 5.96 -1.365487821e-06 -1.365487821e-06 5.98 -1.196057769e-06 -1.196057769e-06 6.00 -1.048169208e-06 -1.048169208e-06