# 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 = AlFeMg2 # 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 2.483112100e+02 2.483112100e+02 1.30 2.292800839e+02 2.292800839e+02 1.32 2.117303386e+02 2.117303386e+02 1.34 1.955372210e+02 1.955372210e+02 1.36 1.805878440e+02 1.805878440e+02 1.38 1.667816178e+02 1.667816178e+02 1.40 1.540286237e+02 1.540286237e+02 1.42 1.422468277e+02 1.422468277e+02 1.44 1.313596297e+02 1.313596297e+02 1.46 1.212947961e+02 1.212947961e+02 1.48 1.119850086e+02 1.119850086e+02 1.50 1.033691558e+02 1.033691558e+02 1.52 9.539296255e+01 9.539296255e+01 1.54 8.800832821e+01 8.800832821e+01 1.56 8.117194374e+01 8.117194374e+01 1.58 7.484408624e+01 7.484408624e+01 1.60 6.898822843e+01 6.898822843e+01 1.62 6.357150681e+01 6.357150681e+01 1.64 5.856133907e+01 5.856133907e+01 1.66 5.392666744e+01 5.392666744e+01 1.68 4.963817091e+01 4.963817091e+01 1.70 4.566854199e+01 4.566854199e+01 1.72 4.199276246e+01 4.199276246e+01 1.74 3.858816137e+01 3.858816137e+01 1.76 3.543423778e+01 3.543423778e+01 1.78 3.251239917e+01 3.251239917e+01 1.80 2.980572757e+01 2.980572757e+01 1.82 2.729879285e+01 2.729879285e+01 1.84 2.497747169e+01 2.497747169e+01 1.86 2.282876564e+01 2.282876564e+01 1.88 2.084059979e+01 2.084059979e+01 1.90 1.900161650e+01 1.900161650e+01 1.92 1.730098856e+01 1.730098856e+01 1.94 1.572829903e+01 1.572829903e+01 1.96 1.427352826e+01 1.427352826e+01 1.98 1.292715113e+01 1.292715113e+01 2.00 1.168029514e+01 1.168029514e+01 2.02 1.052488717e+01 1.052488717e+01 2.04 9.453730678e+00 9.453730678e+00 2.06 8.460484367e+00 8.460484367e+00 2.08 7.539554226e+00 7.539554226e+00 2.10 6.685944693e+00 6.685944693e+00 2.12 5.895113771e+00 5.895113771e+00 2.14 5.162861787e+00 5.162861787e+00 2.16 4.485261143e+00 4.485261143e+00 2.18 3.858617020e+00 3.858617020e+00 2.20 3.279451118e+00 3.279451118e+00 2.22 2.744494631e+00 2.744494631e+00 2.24 2.250688524e+00 2.250688524e+00 2.26 1.795186057e+00 1.795186057e+00 2.28 1.375352536e+00 1.375352536e+00 2.30 9.887656348e-01 9.887656348e-01 2.32 6.332039998e-01 6.332039998e-01 2.34 3.066364784e-01 3.066364784e-01 2.36 7.202432981e-03 7.202432981e-03 2.38 -2.668088214e-01 -2.668088214e-01 2.40 -5.169812695e-01 -5.169812695e-01 2.42 -7.447975143e-01 -7.447975143e-01 2.44 -9.516621857e-01 -9.516621857e-01 2.46 -1.138924167e+00 -1.138924167e+00 2.48 -1.307893056e+00 -1.307893056e+00 2.50 -1.459850193e+00 -1.459850193e+00 2.52 -1.596411760e+00 -1.596411760e+00 2.54 -1.719348791e+00 -1.719348791e+00 2.56 -1.829541610e+00 -1.829541610e+00 2.58 -1.927886875e+00 -1.927886875e+00 2.60 -2.015305858e+00 -2.015305858e+00 2.62 -2.092712463e+00 -2.092712463e+00 2.64 -2.160977023e+00 -2.160977023e+00 2.66 -2.220889550e+00 -2.220889550e+00 2.68 -2.273148547e+00 -2.273148547e+00 2.70 -2.318351234e+00 -2.318351234e+00 2.72 -2.356940298e+00 -2.356940298e+00 2.74 -2.389223061e+00 -2.389223061e+00 2.76 -2.415462909e+00 -2.415462909e+00 2.78 -2.435904011e+00 -2.435904011e+00 2.80 -2.450788294e+00 -2.450788294e+00 2.82 -2.460364295e+00 -2.460364295e+00 2.84 -2.464893460e+00 -2.464893460e+00 2.86 -2.464650558e+00 -2.464650558e+00 2.88 -2.459921380e+00 -2.459921380e+00 2.90 -2.450998979e+00 -2.450998979e+00 2.92 -2.438180059e+00 -2.438180059e+00 2.94 -2.421762871e+00 -2.421762871e+00 2.96 -2.402047401e+00 -2.402047401e+00 2.98 -2.379337717e+00 -2.379337717e+00 3.00 -2.353945335e+00 -2.353945335e+00 3.02 -2.326191681e+00 -2.326191681e+00 3.04 -2.296407235e+00 -2.296407235e+00 3.06 -2.264927503e+00 -2.264927503e+00 3.08 -2.232081424e+00 -2.232081424e+00 3.10 -2.198197444e+00 -2.198197444e+00 3.12 -2.163576103e+00 -2.163576103e+00 3.14 -2.128418021e+00 -2.128418021e+00 3.16 -2.092882375e+00 -2.092882375e+00 3.18 -2.057092829e+00 -2.057092829e+00 3.20 -2.021143493e+00 -2.021143493e+00 3.22 -1.985108324e+00 -1.985108324e+00 3.24 -1.949050846e+00 -1.949050846e+00 3.26 -1.913008146e+00 -1.913008146e+00 3.28 -1.876958863e+00 -1.876958863e+00 3.30 -1.840897381e+00 -1.840897381e+00 3.32 -1.804845611e+00 -1.804845611e+00 3.34 -1.768847992e+00 -1.768847992e+00 3.36 -1.732964661e+00 -1.732964661e+00 3.38 -1.697264097e+00 -1.697264097e+00 3.40 -1.661816324e+00 -1.661816324e+00 3.42 -1.626687931e+00 -1.626687931e+00 3.44 -1.591937897e+00 -1.591937897e+00 3.46 -1.557615983e+00 -1.557615983e+00 3.48 -1.523761941e+00 -1.523761941e+00 3.50 -1.490405793e+00 -1.490405793e+00 3.52 -1.457568708e+00 -1.457568708e+00 3.54 -1.425264205e+00 -1.425264205e+00 3.56 -1.393499461e+00 -1.393499461e+00 3.58 -1.362276594e+00 -1.362276594e+00 3.60 -1.331593809e+00 -1.331593809e+00 3.62 -1.301446394e+00 -1.301446394e+00 3.64 -1.271827529e+00 -1.271827529e+00 3.66 -1.242728933e+00 -1.242728933e+00 3.68 -1.214141371e+00 -1.214141371e+00 3.70 -1.186055054e+00 -1.186055054e+00 3.72 -1.158459956e+00 -1.158459956e+00 3.74 -1.131346088e+00 -1.131346088e+00 3.76 -1.104703724e+00 -1.104703724e+00 3.78 -1.078523581e+00 -1.078523581e+00 3.80 -1.052796950e+00 -1.052796950e+00 3.82 -1.027515727e+00 -1.027515727e+00 3.84 -1.002672320e+00 -1.002672320e+00 3.86 -9.782594210e-01 -9.782594210e-01 3.88 -9.542696280e-01 -9.542696280e-01 3.90 -9.306949797e-01 -9.306949797e-01 3.92 -9.075262715e-01 -9.075262715e-01 3.94 -8.847534231e-01 -8.847534231e-01 3.96 -8.623639437e-01 -8.623639437e-01 3.98 -8.403437460e-01 -8.403437460e-01 4.00 -8.186770507e-01 -8.186770507e-01 4.02 -7.973467264e-01 -7.973467264e-01 4.04 -7.763347873e-01 -7.763347873e-01 4.06 -7.556230085e-01 -7.556230085e-01 4.08 -7.351936305e-01 -7.351936305e-01 4.10 -7.150294954e-01 -7.150294954e-01 4.12 -6.951175675e-01 -6.951175675e-01 4.14 -6.754455843e-01 -6.754455843e-01 4.16 -6.560059744e-01 -6.560059744e-01 4.18 -6.367959626e-01 -6.367959626e-01 4.20 -6.178183829e-01 -6.178183829e-01 4.22 -5.990822961e-01 -5.990822961e-01 4.24 -5.806032948e-01 -5.806032948e-01 4.26 -5.624033746e-01 -5.624033746e-01 4.28 -5.445102820e-01 -5.445102820e-01 4.30 -5.269562975e-01 -5.269562975e-01 4.32 -5.097764939e-01 -5.097764939e-01 4.34 -4.930065890e-01 -4.930065890e-01 4.36 -4.766805937e-01 -4.766805937e-01 4.38 -4.608284981e-01 -4.608284981e-01 4.40 -4.454742447e-01 -4.454742447e-01 4.42 -4.306341954e-01 -4.306341954e-01 4.44 -4.163162203e-01 -4.163162203e-01 4.46 -4.025194420e-01 -4.025194420e-01 4.48 -3.892345808e-01 -3.892345808e-01 4.50 -3.764447779e-01 -3.764447779e-01 4.52 -3.641267412e-01 -3.641267412e-01 4.54 -3.522520529e-01 -3.522520529e-01 4.56 -3.407885018e-01 -3.407885018e-01 4.58 -3.297013387e-01 -3.297013387e-01 4.60 -3.189543927e-01 -3.189543927e-01 4.62 -3.085110231e-01 -3.085110231e-01 4.64 -2.983349119e-01 -2.983349119e-01 4.66 -2.883907201e-01 -2.883907201e-01 4.68 -2.786446420e-01 -2.786446420e-01 4.70 -2.690648975e-01 -2.690648975e-01 4.72 -2.596221953e-01 -2.596221953e-01 4.74 -2.502901987e-01 -2.502901987e-01 4.76 -2.410460096e-01 -2.410460096e-01 4.78 -2.318706809e-01 -2.318706809e-01 4.80 -2.227493652e-01 -2.227493652e-01 4.82 -2.136734244e-01 -2.136734244e-01 4.84 -2.046384241e-01 -2.046384241e-01 4.86 -1.956462621e-01 -1.956462621e-01 4.88 -1.867049405e-01 -1.867049405e-01 4.90 -1.778285787e-01 -1.778285787e-01 4.92 -1.690371504e-01 -1.690371504e-01 4.94 -1.603559037e-01 -1.603559037e-01 4.96 -1.518144510e-01 -1.518144510e-01 4.98 -1.434455503e-01 -1.434455503e-01 5.00 -1.352836383e-01 -1.352836383e-01 5.02 -1.273632114e-01 -1.273632114e-01 5.04 -1.197171759e-01 -1.197171759e-01 5.06 -1.123752998e-01 -1.123752998e-01 5.08 -1.053628890e-01 -1.053628890e-01 5.10 -9.869978646e-02 -9.869978646e-02 5.12 -9.239975429e-02 -9.239975429e-02 5.14 -8.647025601e-02 -8.647025601e-02 5.16 -8.091261348e-02 -8.091261348e-02 5.18 -7.572248043e-02 -7.572248043e-02 5.20 -7.089055919e-02 -7.089055919e-02 5.22 -6.640346008e-02 -6.640346008e-02 5.24 -6.224461357e-02 -6.224461357e-02 5.26 -5.839521861e-02 -5.839521861e-02 5.28 -5.483510866e-02 -5.483510866e-02 5.30 -5.154351867e-02 -5.154351867e-02 5.32 -4.849961326e-02 -4.849961326e-02 5.34 -4.568203319e-02 -4.568203319e-02 5.36 -4.307205570e-02 -4.307205570e-02 5.38 -4.065238586e-02 -4.065238586e-02 5.40 -3.840684227e-02 -3.840684227e-02 5.42 -3.632052900e-02 -3.632052900e-02 5.44 -3.437990028e-02 -3.437990028e-02 5.46 -3.257274294e-02 -3.257274294e-02 5.48 -3.088809917e-02 -3.088809917e-02 5.50 -2.931614984e-02 -2.931614984e-02 5.52 -2.784807628e-02 -2.784807628e-02 5.54 -2.647591591e-02 -2.647591591e-02 5.56 -2.519242396e-02 -2.519242396e-02 5.58 -2.399095039e-02 -2.399095039e-02 5.60 -2.286533725e-02 -2.286533725e-02 5.62 -2.180983887e-02 -2.180983887e-02 5.64 -2.081906401e-02 -2.081906401e-02 5.66 -1.988793721e-02 -1.988793721e-02 5.68 -1.901167520e-02 -1.901167520e-02 5.70 -1.818577397e-02 -1.818577397e-02 5.72 -1.740600219e-02 -1.740600219e-02 5.74 -1.666839682e-02 -1.666839682e-02 5.76 -1.596921440e-02 -1.596921440e-02 5.78 -1.530499964e-02 -1.530499964e-02 5.80 -1.467258229e-02 -1.467258229e-02 5.82 -1.406903422e-02 -1.406903422e-02 5.84 -1.349165813e-02 -1.349165813e-02 5.86 -1.293797481e-02 -1.293797481e-02 5.88 -1.240570972e-02 -1.240570972e-02 5.90 -1.189277958e-02 -1.189277958e-02 5.92 -1.139727983e-02 -1.139727983e-02 5.94 -1.091747335e-02 -1.091747335e-02 5.96 -1.045178120e-02 -1.045178120e-02 5.98 -9.998775505e-03 -9.998775505e-03 6.00 -9.557174868e-03 -9.557174868e-03