# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Co2CrFe # 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 2022-05-24 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 5.327191164e+02 5.327191164e+02 0.94 4.961182855e+02 4.961182855e+02 0.96 4.618871639e+02 4.618871639e+02 0.98 4.298780319e+02 4.298780319e+02 1.00 3.999521091e+02 3.999521091e+02 1.02 3.719790266e+02 3.719790266e+02 1.04 3.458363308e+02 3.458363308e+02 1.06 3.214090150e+02 3.214090150e+02 1.08 2.985890774e+02 2.985890774e+02 1.10 2.772751061e+02 2.772751061e+02 1.12 2.573718886e+02 2.573718886e+02 1.14 2.387900429e+02 2.387900429e+02 1.16 2.214456705e+02 2.214456705e+02 1.18 2.052600286e+02 2.052600286e+02 1.20 1.901592218e+02 1.901592218e+02 1.22 1.760739120e+02 1.760739120e+02 1.24 1.629390459e+02 1.629390459e+02 1.26 1.506935978e+02 1.506935978e+02 1.28 1.392803261e+02 1.392803261e+02 1.30 1.286455446e+02 1.286455446e+02 1.32 1.187389083e+02 1.187389083e+02 1.34 1.095132116e+02 1.095132116e+02 1.36 1.009241982e+02 1.009241982e+02 1.38 9.293038210e+01 9.293038210e+01 1.40 8.549287970e+01 8.549287970e+01 1.42 7.857525099e+01 7.857525099e+01 1.44 7.214334931e+01 7.214334931e+01 1.46 6.616518280e+01 6.616518280e+01 1.48 6.061078343e+01 6.061078343e+01 1.50 5.545208287e+01 5.545208287e+01 1.52 5.066279582e+01 5.066279582e+01 1.54 4.621831036e+01 4.621831036e+01 1.56 4.209558476e+01 4.209558476e+01 1.58 3.827305058e+01 3.827305058e+01 1.60 3.473052152e+01 3.473052152e+01 1.62 3.144910777e+01 3.144910777e+01 1.64 2.841113600e+01 2.841113600e+01 1.66 2.560007503e+01 2.560007503e+01 1.68 2.300046288e+01 2.300046288e+01 1.70 2.059783949e+01 2.059783949e+01 1.72 1.837868415e+01 1.837868415e+01 1.74 1.633035665e+01 1.633035665e+01 1.76 1.444104207e+01 1.444104207e+01 1.78 1.269969891e+01 1.269969891e+01 1.80 1.109601033e+01 1.109601033e+01 1.82 9.620338428e+00 9.620338428e+00 1.84 8.263681276e+00 8.263681276e+00 1.86 7.017632613e+00 7.017632613e+00 1.88 5.874343950e+00 5.874343950e+00 1.90 4.826487758e+00 4.826487758e+00 1.92 3.867224305e+00 3.867224305e+00 1.94 2.990172088e+00 2.990172088e+00 1.96 2.189378498e+00 2.189378498e+00 1.98 1.459292217e+00 1.459292217e+00 2.00 7.947373247e-01 7.947373247e-01 2.02 1.908890323e-01 1.908890323e-01 2.04 -3.567490807e-01 -3.567490807e-01 2.06 -8.523663969e-01 -8.523663969e-01 2.08 -1.299865255e+00 -1.299865255e+00 2.10 -1.702879688e+00 -1.702879688e+00 2.12 -2.064792986e+00 -2.064792986e+00 2.14 -2.388754137e+00 -2.388754137e+00 2.16 -2.677693073e+00 -2.677693073e+00 2.18 -2.934327756e+00 -2.934327756e+00 2.20 -3.161189550e+00 -3.161189550e+00 2.22 -3.360636783e+00 -3.360636783e+00 2.24 -3.534860979e+00 -3.534860979e+00 2.26 -3.685898011e+00 -3.685898011e+00 2.28 -3.815638547e+00 -3.815638547e+00 2.30 -3.925837805e+00 -3.925837805e+00 2.32 -4.018124687e+00 -4.018124687e+00 2.34 -4.094010319e+00 -4.094010319e+00 2.36 -4.154896037e+00 -4.154896037e+00 2.38 -4.202080853e+00 -4.202080853e+00 2.40 -4.236768432e+00 -4.236768432e+00 2.42 -4.260073619e+00 -4.260073619e+00 2.44 -4.273028528e+00 -4.273028528e+00 2.46 -4.276581390e+00 -4.276581390e+00 2.48 -4.271583669e+00 -4.271583669e+00 2.50 -4.258819397e+00 -4.258819397e+00 2.52 -4.239016567e+00 -4.239016567e+00 2.54 -4.212850798e+00 -4.212850798e+00 2.56 -4.180948771e+00 -4.180948771e+00 2.58 -4.143891446e+00 -4.143891446e+00 2.60 -4.102217077e+00 -4.102217077e+00 2.62 -4.056424045e+00 -4.056424045e+00 2.64 -4.006973500e+00 -4.006973500e+00 2.66 -3.954291844e+00 -3.954291844e+00 2.68 -3.898773058e+00 -3.898773058e+00 2.70 -3.840780810e+00 -3.840780810e+00 2.72 -3.780623689e+00 -3.780623689e+00 2.74 -3.718462778e+00 -3.718462778e+00 2.76 -3.654759208e+00 -3.654759208e+00 2.78 -3.589986055e+00 -3.589986055e+00 2.80 -3.524171309e+00 -3.524171309e+00 2.82 -3.457535739e+00 -3.457535739e+00 2.84 -3.390281676e+00 -3.390281676e+00 2.86 -3.322594294e+00 -3.322594294e+00 2.88 -3.254642807e+00 -3.254642807e+00 2.90 -3.186581593e+00 -3.186581593e+00 2.92 -3.118551239e+00 -3.118551239e+00 2.94 -3.050679524e+00 -3.050679524e+00 2.96 -2.983082333e+00 -2.983082333e+00 2.98 -2.915864515e+00 -2.915864515e+00 3.00 -2.849120679e+00 -2.849120679e+00 3.02 -2.782935944e+00 -2.782935944e+00 3.04 -2.717386635e+00 -2.717386635e+00 3.06 -2.652540934e+00 -2.652540934e+00 3.08 -2.588459490e+00 -2.588459490e+00 3.10 -2.525195984e+00 -2.525195984e+00 3.12 -2.462797657e+00 -2.462797657e+00 3.14 -2.401305809e+00 -2.401305809e+00 3.16 -2.340756252e+00 -2.340756252e+00 3.18 -2.281179745e+00 -2.281179745e+00 3.20 -2.222602392e+00 -2.222602392e+00 3.22 -2.165046012e+00 -2.165046012e+00 3.24 -2.108528490e+00 -2.108528490e+00 3.26 -2.053064099e+00 -2.053064099e+00 3.28 -1.998663797e+00 -1.998663797e+00 3.30 -1.945335514e+00 -1.945335514e+00 3.32 -1.893084403e+00 -1.893084403e+00 3.34 -1.841913090e+00 -1.841913090e+00 3.36 -1.791821895e+00 -1.791821895e+00 3.38 -1.742809040e+00 -1.742809040e+00 3.40 -1.694870846e+00 -1.694870846e+00 3.42 -1.648001910e+00 -1.648001910e+00 3.44 -1.602195272e+00 -1.602195272e+00 3.46 -1.557442572e+00 -1.557442572e+00 3.48 -1.513734191e+00 -1.513734191e+00 3.50 -1.471059386e+00 -1.471059386e+00 3.52 -1.429406408e+00 -1.429406408e+00 3.54 -1.388762623e+00 -1.388762623e+00 3.56 -1.349114610e+00 -1.349114610e+00 3.58 -1.310448262e+00 -1.310448262e+00 3.60 -1.272748874e+00 -1.272748874e+00 3.62 -1.236001225e+00 -1.236001225e+00 3.64 -1.200189654e+00 -1.200189654e+00 3.66 -1.165298133e+00 -1.165298133e+00 3.68 -1.131310326e+00 -1.131310326e+00 3.70 -1.098209651e+00 -1.098209651e+00 3.72 -1.065979334e+00 -1.065979334e+00 3.74 -1.034602458e+00 -1.034602458e+00 3.76 -1.004062009e+00 -1.004062009e+00 3.78 -9.743409151e-01 -9.743409151e-01 3.80 -9.454220870e-01 -9.454220870e-01 3.82 -9.172555118e-01 -9.172555118e-01 3.84 -8.869590051e-01 -8.869590051e-01 3.86 -8.411440663e-01 -8.411440663e-01 3.88 -7.632865943e-01 -7.632865943e-01 3.90 -6.975652660e-01 -6.975652660e-01 3.92 -6.768040394e-01 -6.768040394e-01 3.94 -6.566199157e-01 -6.566199157e-01 3.96 -6.369991296e-01 -6.369991296e-01 3.98 -6.179280945e-01 -6.179280945e-01 4.00 -5.993934126e-01 -5.993934126e-01 4.02 -5.813818826e-01 -5.813818826e-01 4.04 -5.638805066e-01 -5.638805066e-01 4.06 -5.468764969e-01 -5.468764969e-01 4.08 -5.303572801e-01 -5.303572801e-01 4.10 -5.143105023e-01 -5.143105023e-01 4.12 -4.987240317e-01 -4.987240317e-01 4.14 -4.835859619e-01 -4.835859619e-01 4.16 -4.688846137e-01 -4.688846137e-01 4.18 -4.546085366e-01 -4.546085366e-01 4.20 -4.407465096e-01 -4.407465096e-01 4.22 -4.272875416e-01 -4.272875416e-01 4.24 -4.142208713e-01 -4.142208713e-01 4.26 -4.015359667e-01 -4.015359667e-01 4.28 -3.892225240e-01 -3.892225240e-01 4.30 -3.772704666e-01 -3.772704666e-01 4.32 -3.656699435e-01 -3.656699435e-01 4.34 -3.544113271e-01 -3.544113271e-01 4.36 -3.434852117e-01 -3.434852117e-01 4.38 -3.328824104e-01 -3.328824104e-01 4.40 -3.225939533e-01 -3.225939533e-01 4.42 -3.118957445e-01 -3.118957445e-01 4.44 -2.918656654e-01 -2.918656654e-01 4.46 -2.399843758e-01 -2.399843758e-01 4.48 -1.289665645e-01 -1.289665645e-01 4.50 -1.390393751e-22 -1.390750803e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 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