# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Al # implementation = 2025--Sharifi-H--Cr-Ni-Al--LAMMPS--ipr1 # composition = AlCr2Ni # 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 2025-07-01 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 2.142242063e+02 2.142242063e+02 1.00 1.999822028e+02 1.999822028e+02 1.02 1.866917336e+02 1.866917336e+02 1.04 1.742901024e+02 1.742901024e+02 1.06 1.627184579e+02 1.627184579e+02 1.08 1.519215033e+02 1.519215033e+02 1.10 1.418472736e+02 1.418472736e+02 1.12 1.324469553e+02 1.324469553e+02 1.14 1.236747352e+02 1.236747352e+02 1.16 1.154874401e+02 1.154874401e+02 1.18 1.079889300e+02 1.079889300e+02 1.20 1.012255025e+02 1.012255025e+02 1.22 9.503464859e+01 9.503464859e+01 1.24 8.929490370e+01 8.929490370e+01 1.26 8.391753284e+01 8.391753284e+01 1.28 7.883889600e+01 7.883889600e+01 1.30 7.401432558e+01 7.401432558e+01 1.32 6.941325102e+01 6.941325102e+01 1.34 6.501535972e+01 6.501535972e+01 1.36 6.080760517e+01 6.080760517e+01 1.38 5.678190336e+01 5.678190336e+01 1.40 5.293338821e+01 5.293338821e+01 1.42 4.925911364e+01 4.925911364e+01 1.44 4.575711261e+01 4.575711261e+01 1.46 4.242573044e+01 4.242573044e+01 1.48 3.926317577e+01 3.926317577e+01 1.50 3.626723919e+01 3.626723919e+01 1.52 3.343513590e+01 3.343513590e+01 1.54 3.076344015e+01 3.076344015e+01 1.56 2.824808484e+01 2.824808484e+01 1.58 2.588440551e+01 2.588440551e+01 1.60 2.366721322e+01 2.366721322e+01 1.62 2.159088371e+01 2.159088371e+01 1.64 1.964945315e+01 1.964945315e+01 1.66 1.783671364e+01 1.783671364e+01 1.68 1.614630921e+01 1.614630921e+01 1.70 1.457182279e+01 1.457182279e+01 1.72 1.310685339e+01 1.310685339e+01 1.74 1.174508307e+01 1.174508307e+01 1.76 1.048033399e+01 1.048033399e+01 1.78 9.306614157e+00 9.306614157e+00 1.80 8.218152952e+00 8.218152952e+00 1.82 7.209429142e+00 7.209429142e+00 1.84 6.275191444e+00 6.275191444e+00 1.86 5.410472212e+00 5.410472212e+00 1.88 4.610595180e+00 4.610595180e+00 1.90 3.871179744e+00 3.871179744e+00 1.92 3.188139099e+00 3.188139099e+00 1.94 2.557672944e+00 2.557672944e+00 1.96 1.976259681e+00 1.976259681e+00 1.98 1.440646236e+00 1.440646236e+00 2.00 9.478227982e-01 9.478227982e-01 2.02 4.949766720e-01 4.949766720e-01 2.04 7.946973136e-02 7.946973136e-02 2.06 -3.011744076e-01 -3.011744076e-01 2.08 -6.492804659e-01 -6.492804659e-01 2.10 -9.670306227e-01 -9.670306227e-01 2.12 -1.256472891e+00 -1.256472891e+00 2.14 -1.519529013e+00 -1.519529013e+00 2.16 -1.758001902e+00 -1.758001902e+00 2.18 -1.973583193e+00 -1.973583193e+00 2.20 -2.167861457e+00 -2.167861457e+00 2.22 -2.342326271e+00 -2.342326271e+00 2.24 -2.498373421e+00 -2.498373421e+00 2.26 -2.637310532e+00 -2.637310532e+00 2.28 -2.760362356e+00 -2.760362356e+00 2.30 -2.868675743e+00 -2.868675743e+00 2.32 -2.963324332e+00 -2.963324332e+00 2.34 -3.045312957e+00 -3.045312957e+00 2.36 -3.115581791e+00 -3.115581791e+00 2.38 -3.175016049e+00 -3.175016049e+00 2.40 -3.224636948e+00 -3.224636948e+00 2.42 -3.265596480e+00 -3.265596480e+00 2.44 -3.298919919e+00 -3.298919919e+00 2.46 -3.325505310e+00 -3.325505310e+00 2.48 -3.346138283e+00 -3.346138283e+00 2.50 -3.361505270e+00 -3.361505270e+00 2.52 -3.372205285e+00 -3.372205285e+00 2.54 -3.378760430e+00 -3.378760430e+00 2.56 -3.381625225e+00 -3.381625225e+00 2.58 -3.381194902e+00 -3.381194902e+00 2.60 -3.377812781e+00 -3.377812781e+00 2.62 -3.371776856e+00 -3.371776856e+00 2.64 -3.363346850e+00 -3.363346850e+00 2.66 -3.352748993e+00 -3.352748993e+00 2.68 -3.340179177e+00 -3.340179177e+00 2.70 -3.325806916e+00 -3.325806916e+00 2.72 -3.309778883e+00 -3.309778883e+00 2.74 -3.292222009e+00 -3.292222009e+00 2.76 -3.273246206e+00 -3.273246206e+00 2.78 -3.252946744e+00 -3.252946744e+00 2.80 -3.231406330e+00 -3.231406330e+00 2.82 -3.208696909e+00 -3.208696909e+00 2.84 -3.184881240e+00 -3.184881240e+00 2.86 -3.160014253e+00 -3.160014253e+00 2.88 -3.134144220e+00 -3.134144220e+00 2.90 -3.107313776e+00 -3.107313776e+00 2.92 -3.079560784e+00 -3.079560784e+00 2.94 -3.050919090e+00 -3.050919090e+00 2.96 -3.021419169e+00 -3.021419169e+00 2.98 -2.991088678e+00 -2.991088678e+00 3.00 -2.959952944e+00 -2.959952944e+00 3.02 -2.928035382e+00 -2.928035382e+00 3.04 -2.895357870e+00 -2.895357870e+00 3.06 -2.861941083e+00 -2.861941083e+00 3.08 -2.827804806e+00 -2.827804806e+00 3.10 -2.792968220e+00 -2.792968220e+00 3.12 -2.757450189e+00 -2.757450189e+00 3.14 -2.721269542e+00 -2.721269542e+00 3.16 -2.684445354e+00 -2.684445354e+00 3.18 -2.646997250e+00 -2.646997250e+00 3.20 -2.608945710e+00 -2.608945710e+00 3.22 -2.570312393e+00 -2.570312393e+00 3.24 -2.531120480e+00 -2.531120480e+00 3.26 -2.491395022e+00 -2.491395022e+00 3.28 -2.451163297e+00 -2.451163297e+00 3.30 -2.410455161e+00 -2.410455161e+00 3.32 -2.369303394e+00 -2.369303394e+00 3.34 -2.327744010e+00 -2.327744010e+00 3.36 -2.285816525e+00 -2.285816525e+00 3.38 -2.243564171e+00 -2.243564171e+00 3.40 -2.201034024e+00 -2.201034024e+00 3.42 -2.158277036e+00 -2.158277036e+00 3.44 -2.115347952e+00 -2.115347952e+00 3.46 -2.072305101e+00 -2.072305101e+00 3.48 -2.029210048e+00 -2.029210048e+00 3.50 -1.986127102e+00 -1.986127102e+00 3.52 -1.943122693e+00 -1.943122693e+00 3.54 -1.900264617e+00 -1.900264617e+00 3.56 -1.857621179e+00 -1.857621179e+00 3.58 -1.815260250e+00 -1.815260250e+00 3.60 -1.773248285e+00 -1.773248285e+00 3.62 -1.731649322e+00 -1.731649322e+00 3.64 -1.690524018e+00 -1.690524018e+00 3.66 -1.649928748e+00 -1.649928748e+00 3.68 -1.609914814e+00 -1.609914814e+00 3.70 -1.570527788e+00 -1.570527788e+00 3.72 -1.531807013e+00 -1.531807013e+00 3.74 -1.493785284e+00 -1.493785284e+00 3.76 -1.456488708e+00 -1.456488708e+00 3.78 -1.419936743e+00 -1.419936743e+00 3.80 -1.384142404e+00 -1.384142404e+00 3.82 -1.349112621e+00 -1.349112621e+00 3.84 -1.314848717e+00 -1.314848717e+00 3.86 -1.281346989e+00 -1.281346989e+00 3.88 -1.248599358e+00 -1.248599358e+00 3.90 -1.216594052e+00 -1.216594052e+00 3.92 -1.185316308e+00 -1.185316308e+00 3.94 -1.154749061e+00 -1.154749061e+00 3.96 -1.124873595e+00 -1.124873595e+00 3.98 -1.095670153e+00 -1.095670153e+00 4.00 -1.067118469e+00 -1.067118469e+00 4.02 -1.039198244e+00 -1.039198244e+00 4.04 -1.011889539e+00 -1.011889539e+00 4.06 -9.851730861e-01 -9.851730861e-01 4.08 -9.590305371e-01 -9.590305371e-01 4.10 -9.334446301e-01 -9.334446301e-01 4.12 -9.083992988e-01 -9.083992988e-01 4.14 -8.838797229e-01 -8.838797229e-01 4.16 -8.598723314e-01 -8.598723314e-01 4.18 -8.363647657e-01 -8.363647657e-01 4.20 -8.133458128e-01 -8.133458128e-01 4.22 -7.908053156e-01 -7.908053156e-01 4.24 -7.687340675e-01 -7.687340675e-01 4.26 -7.470951295e-01 -7.470951295e-01 4.28 -7.253127272e-01 -7.253127272e-01 4.30 -7.018973277e-01 -7.018973277e-01 4.32 -6.766288586e-01 -6.766288586e-01 4.34 -6.556004759e-01 -6.556004759e-01 4.36 -6.365058908e-01 -6.365058908e-01 4.38 -6.178235684e-01 -6.178235684e-01 4.40 -5.995483478e-01 -5.995483478e-01 4.42 -5.816751560e-01 -5.816751560e-01 4.44 -5.641989625e-01 -5.641989625e-01 4.46 -5.471147445e-01 -5.471147445e-01 4.48 -5.304174598e-01 -5.304174598e-01 4.50 -5.141020274e-01 -5.141020274e-01 4.52 -4.981633147e-01 -4.981633147e-01 4.54 -4.825961293e-01 -4.825961293e-01 4.56 -4.673952154e-01 -4.673952154e-01 4.58 -4.525552536e-01 -4.525552536e-01 4.60 -4.380708626e-01 -4.380708626e-01 4.62 -4.239366041e-01 -4.239366041e-01 4.64 -4.101469871e-01 -4.101469871e-01 4.66 -3.966964750e-01 -3.966964750e-01 4.68 -3.835794921e-01 -3.835794921e-01 4.70 -3.707904306e-01 -3.707904306e-01 4.72 -3.583236579e-01 -3.583236579e-01 4.74 -3.461735237e-01 -3.461735237e-01 4.76 -3.343343668e-01 -3.343343668e-01 4.78 -3.228005219e-01 -3.228005219e-01 4.80 -3.115663262e-01 -3.115663262e-01 4.82 -3.006261254e-01 -3.006261254e-01 4.84 -2.899742794e-01 -2.899742794e-01 4.86 -2.796051680e-01 -2.796051680e-01 4.88 -2.695131960e-01 -2.695131960e-01 4.90 -2.596927981e-01 -2.596927981e-01 4.92 -2.493481598e-01 -2.493481598e-01 4.94 -2.288109769e-01 -2.288109769e-01 4.96 -1.761832425e-01 -1.761832425e-01 4.98 -7.868161628e-02 -7.868161628e-02 5.00 -7.837388541e-24 -7.839727148e-24 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 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0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00