# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Mn # implementation = 2025--Sharifi-H--Cu-Cr-Mn--LAMMPS--ipr1 # composition = CrCuMn2 # 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 9.616351032e+02 9.616351032e+02 1.00 8.781337187e+02 8.781337187e+02 1.02 7.991878189e+02 7.991878189e+02 1.04 7.269822657e+02 7.269822657e+02 1.06 6.618796401e+02 6.618796401e+02 1.08 6.032689397e+02 6.032689397e+02 1.10 5.505012607e+02 5.505012607e+02 1.12 5.029398734e+02 5.029398734e+02 1.14 4.599895187e+02 4.599895187e+02 1.16 4.211110197e+02 4.211110197e+02 1.18 3.858264541e+02 3.858264541e+02 1.20 3.537184862e+02 3.537184862e+02 1.22 3.244263328e+02 3.244263328e+02 1.24 2.976400417e+02 2.976400417e+02 1.26 2.730941279e+02 2.730941279e+02 1.28 2.505612366e+02 2.505612366e+02 1.30 2.298462198e+02 2.298462198e+02 1.32 2.107801327e+02 2.107801327e+02 1.34 1.937039435e+02 1.937039435e+02 1.36 1.788851838e+02 1.788851838e+02 1.38 1.654608802e+02 1.654608802e+02 1.40 1.529374827e+02 1.529374827e+02 1.42 1.410726351e+02 1.410726351e+02 1.44 1.297689432e+02 1.297689432e+02 1.46 1.190059835e+02 1.190059835e+02 1.48 1.087983034e+02 1.087983034e+02 1.50 9.917075006e+01 9.917075006e+01 1.52 9.014507694e+01 9.014507694e+01 1.54 8.173366151e+01 8.173366151e+01 1.56 7.393752460e+01 7.393752460e+01 1.58 6.674675641e+01 6.674675641e+01 1.60 6.014216254e+01 6.014216254e+01 1.62 5.409738667e+01 5.409738667e+01 1.64 4.858106427e+01 4.858106427e+01 1.66 4.355877352e+01 4.355877352e+01 1.68 3.899467203e+01 3.899467203e+01 1.70 3.485279075e+01 3.485279075e+01 1.72 3.109800120e+01 3.109800120e+01 1.74 2.769669565e+01 2.769669565e+01 1.76 2.461723307e+01 2.461723307e+01 1.78 2.183023415e+01 2.183023415e+01 1.80 1.930865021e+01 1.930865021e+01 1.82 1.702771697e+01 1.702771697e+01 1.84 1.496490201e+01 1.496490201e+01 1.86 1.309978909e+01 1.309978909e+01 1.88 1.141391998e+01 1.141391998e+01 1.90 9.890617012e+00 9.890617012e+00 1.92 8.514770894e+00 8.514770894e+00 1.94 7.272681759e+00 7.272681759e+00 1.96 6.151910129e+00 6.151910129e+00 1.98 5.141146052e+00 5.141146052e+00 2.00 4.230112568e+00 4.230112568e+00 2.02 3.409478322e+00 3.409478322e+00 2.04 2.670776379e+00 2.670776379e+00 2.06 2.006328704e+00 2.006328704e+00 2.08 1.409174387e+00 1.409174387e+00 2.10 8.730024304e-01 8.730024304e-01 2.12 3.920907645e-01 3.920907645e-01 2.14 -3.874898339e-02 -3.874898339e-02 2.16 -4.242264779e-01 -4.242264779e-01 2.18 -7.686347400e-01 -7.686347400e-01 2.20 -1.075878291e+00 -1.075878291e+00 2.22 -1.349492541e+00 -1.349492541e+00 2.24 -1.592677266e+00 -1.592677266e+00 2.26 -1.808328862e+00 -1.808328862e+00 2.28 -1.999069468e+00 -1.999069468e+00 2.30 -2.167273251e+00 -2.167273251e+00 2.32 -2.315090156e+00 -2.315090156e+00 2.34 -2.444467339e+00 -2.444467339e+00 2.36 -2.557168544e+00 -2.557168544e+00 2.38 -2.654791604e+00 -2.654791604e+00 2.40 -2.738784279e+00 -2.738784279e+00 2.42 -2.810446275e+00 -2.810446275e+00 2.44 -2.870903909e+00 -2.870903909e+00 2.46 -2.921170171e+00 -2.921170171e+00 2.48 -2.962171070e+00 -2.962171070e+00 2.50 -2.994753419e+00 -2.994753419e+00 2.52 -3.019691892e+00 -3.019691892e+00 2.54 -3.037695387e+00 -3.037695387e+00 2.56 -3.049405242e+00 -3.049405242e+00 2.58 -3.055368485e+00 -3.055368485e+00 2.60 -3.056076955e+00 -3.056076955e+00 2.62 -3.051986558e+00 -3.051986558e+00 2.64 -3.043519714e+00 -3.043519714e+00 2.66 -3.031067470e+00 -3.031067470e+00 2.68 -3.014991358e+00 -3.014991358e+00 2.70 -2.995625009e+00 -2.995625009e+00 2.72 -2.973275619e+00 -2.973275619e+00 2.74 -2.948225309e+00 -2.948225309e+00 2.76 -2.920732467e+00 -2.920732467e+00 2.78 -2.891033131e+00 -2.891033131e+00 2.80 -2.859342473e+00 -2.859342473e+00 2.82 -2.825856411e+00 -2.825856411e+00 2.84 -2.790753324e+00 -2.790753324e+00 2.86 -2.754195837e+00 -2.754195837e+00 2.88 -2.716332601e+00 -2.716332601e+00 2.90 -2.677299974e+00 -2.677299974e+00 2.92 -2.637223532e+00 -2.637223532e+00 2.94 -2.596219335e+00 -2.596219335e+00 2.96 -2.554394937e+00 -2.554394937e+00 2.98 -2.511850120e+00 -2.511850120e+00 3.00 -2.468677400e+00 -2.468677400e+00 3.02 -2.424924482e+00 -2.424924482e+00 3.04 -2.380213038e+00 -2.380213038e+00 3.06 -2.334482750e+00 -2.334482750e+00 3.08 -2.289634058e+00 -2.289634058e+00 3.10 -2.244541236e+00 -2.244541236e+00 3.12 -2.199234305e+00 -2.199234305e+00 3.14 -2.153761457e+00 -2.153761457e+00 3.16 -2.108165787e+00 -2.108165787e+00 3.18 -2.062485863e+00 -2.062485863e+00 3.20 -2.016756394e+00 -2.016756394e+00 3.22 -1.971009011e+00 -1.971009011e+00 3.24 -1.925273162e+00 -1.925273162e+00 3.26 -1.879577125e+00 -1.879577125e+00 3.28 -1.833949146e+00 -1.833949146e+00 3.30 -1.788418694e+00 -1.788418694e+00 3.32 -1.743017819e+00 -1.743017819e+00 3.34 -1.697782578e+00 -1.697782578e+00 3.36 -1.652754478e+00 -1.652754478e+00 3.38 -1.607981838e+00 -1.607981838e+00 3.40 -1.563520993e+00 -1.563520993e+00 3.42 -1.519437169e+00 -1.519437169e+00 3.44 -1.475804900e+00 -1.475804900e+00 3.46 -1.432707826e+00 -1.432707826e+00 3.48 -1.390237718e+00 -1.390237718e+00 3.50 -1.348492646e+00 -1.348492646e+00 3.52 -1.307574258e+00 -1.307574258e+00 3.54 -1.267584250e+00 -1.267584250e+00 3.56 -1.228620213e+00 -1.228620213e+00 3.58 -1.190771173e+00 -1.190771173e+00 3.60 -1.154113202e+00 -1.154113202e+00 3.62 -1.118705555e+00 -1.118705555e+00 3.64 -1.084587716e+00 -1.084587716e+00 3.66 -1.051777704e+00 -1.051777704e+00 3.68 -1.020271796e+00 -1.020271796e+00 3.70 -9.900456837e-01 -9.900456837e-01 3.72 -9.610569027e-01 -9.610569027e-01 3.74 -9.332482391e-01 -9.332482391e-01 3.76 -9.065517315e-01 -9.065517315e-01 3.78 -8.808928658e-01 -8.808928658e-01 3.80 -8.561945904e-01 -8.561945904e-01 3.82 -8.323808520e-01 -8.323808520e-01 3.84 -8.093794496e-01 -8.093794496e-01 3.86 -7.871241050e-01 -7.871241050e-01 3.88 -7.655557434e-01 -7.655557434e-01 3.90 -7.446230497e-01 -7.446230497e-01 3.92 -7.242824211e-01 -7.242824211e-01 3.94 -7.044974615e-01 -7.044974615e-01 3.96 -6.852381731e-01 -6.852381731e-01 3.98 -6.664799859e-01 -6.664799859e-01 4.00 -6.482027470e-01 -6.482027470e-01 4.02 -6.303897598e-01 -6.303897598e-01 4.04 -6.130269327e-01 -6.130269327e-01 4.06 -5.961020692e-01 -5.961020692e-01 4.08 -5.796043070e-01 -5.796043070e-01 4.10 -5.635236962e-01 -5.635236962e-01 4.12 -5.478508987e-01 -5.478508987e-01 4.14 -5.325769835e-01 -5.325769835e-01 4.16 -5.176932953e-01 -5.176932953e-01 4.18 -5.031913738e-01 -5.031913738e-01 4.20 -4.890629084e-01 -4.890629084e-01 4.22 -4.752997140e-01 -4.752997140e-01 4.24 -4.618937200e-01 -4.618937200e-01 4.26 -4.486913671e-01 -4.486913671e-01 4.28 -4.328016520e-01 -4.328016520e-01 4.30 -4.065895193e-01 -4.065895193e-01 4.32 -3.678658691e-01 -3.678658691e-01 4.34 -3.493482612e-01 -3.493482612e-01 4.36 -3.398548704e-01 -3.398548704e-01 4.38 -3.305943271e-01 -3.305943271e-01 4.40 -3.215619178e-01 -3.215619178e-01 4.42 -3.127529792e-01 -3.127529792e-01 4.44 -3.041629000e-01 -3.041629000e-01 4.46 -2.957871229e-01 -2.957871229e-01 4.48 -2.876211460e-01 -2.876211460e-01 4.50 -2.796605248e-01 -2.796605248e-01 4.52 -2.719008735e-01 -2.719008735e-01 4.54 -2.643378657e-01 -2.643378657e-01 4.56 -2.569672359e-01 -2.569672359e-01 4.58 -2.497847802e-01 -2.497847802e-01 4.60 -2.427863570e-01 -2.427863570e-01 4.62 -2.359678877e-01 -2.359678877e-01 4.64 -2.293253570e-01 -2.293253570e-01 4.66 -2.228548139e-01 -2.228548139e-01 4.68 -2.165523709e-01 -2.165523709e-01 4.70 -2.104142054e-01 -2.104142054e-01 4.72 -2.044365588e-01 -2.044365588e-01 4.74 -1.986157372e-01 -1.986157372e-01 4.76 -1.929481110e-01 -1.929481110e-01 4.78 -1.874301148e-01 -1.874301148e-01 4.80 -1.820582472e-01 -1.820582472e-01 4.82 -1.768290708e-01 -1.768290708e-01 4.84 -1.717392116e-01 -1.717392116e-01 4.86 -1.667853586e-01 -1.667853586e-01 4.88 -1.619642636e-01 -1.619642636e-01 4.90 -1.572727406e-01 -1.572727406e-01 4.92 -1.522198781e-01 -1.522198781e-01 4.94 -1.407789211e-01 -1.407789211e-01 4.96 -1.090798015e-01 -1.090798015e-01 4.98 -4.875517505e-02 -4.875517505e-02 5.00 -2.350763036e-24 -2.352535509e-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 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 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