# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Al2CoFe # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.236843054e+02 2.236843054e+02 1.10 2.069835948e+02 2.069835948e+02 1.12 1.911658963e+02 1.911658963e+02 1.14 1.764714436e+02 1.764714436e+02 1.16 1.632029040e+02 1.632029040e+02 1.18 1.508533363e+02 1.508533363e+02 1.20 1.400320150e+02 1.400320150e+02 1.22 1.294657097e+02 1.294657097e+02 1.24 1.195551045e+02 1.195551045e+02 1.26 1.106659815e+02 1.106659636e+02 1.28 1.023634478e+02 1.023634478e+02 1.30 9.470328428e+01 9.470328428e+01 1.32 8.739778082e+01 8.739778082e+01 1.34 8.104954278e+01 8.104954278e+01 1.36 7.474294886e+01 7.474294886e+01 1.38 6.893651154e+01 6.893651154e+01 1.40 6.351974139e+01 6.351974139e+01 1.42 5.849816610e+01 5.849816610e+01 1.44 5.422186389e+01 5.422186389e+01 1.46 5.016462110e+01 5.016462110e+01 1.48 4.608949069e+01 4.608949069e+01 1.50 4.230869696e+01 4.230869696e+01 1.52 3.894779721e+01 3.894779721e+01 1.54 3.594266122e+01 3.594266122e+01 1.56 3.288059099e+01 3.288059099e+01 1.58 3.008828819e+01 3.008828819e+01 1.60 2.744551803e+01 2.744551803e+01 1.62 2.499226666e+01 2.499226666e+01 1.64 2.271486620e+01 2.271486620e+01 1.66 2.074330663e+01 2.074330663e+01 1.68 1.889922766e+01 1.889922766e+01 1.70 1.705430202e+01 1.705430202e+01 1.72 1.534243223e+01 1.534243223e+01 1.74 1.389770095e+01 1.389770095e+01 1.76 1.241249677e+01 1.241249677e+01 1.78 1.103535347e+01 1.103535347e+01 1.80 9.758766781e+00 9.758766781e+00 1.82 8.765703127e+00 8.765703127e+00 1.84 7.654640337e+00 7.654640337e+00 1.86 6.890399205e+00 6.890399205e+00 1.88 5.916809330e+00 5.916809330e+00 1.90 5.016449943e+00 5.016449943e+00 1.92 4.184297850e+00 4.184297850e+00 1.94 3.488935724e+00 3.488935724e+00 1.96 2.773967468e+00 2.773967468e+00 1.98 2.114572284e+00 2.114572284e+00 2.00 1.506957787e+00 1.506957787e+00 2.02 9.475927665e-01 9.475927665e-01 2.04 4.331879885e-01 4.331879885e-01 2.06 -3.932145612e-02 -3.932145612e-02 2.08 -4.727924065e-01 -4.727924065e-01 2.10 -7.515177096e-01 -7.515172798e-01 2.12 -1.058310589e+00 -1.058310589e+00 2.14 -1.402566617e+00 -1.402566617e+00 2.16 -1.716507401e+00 -1.716507401e+00 2.18 -2.002216161e+00 -2.002216161e+00 2.20 -2.261637719e+00 -2.261637719e+00 2.22 -2.496588064e+00 -2.496588064e+00 2.24 -2.562199115e+00 -2.562199115e+00 2.26 -2.762847722e+00 -2.762847722e+00 2.28 -2.943150166e+00 -2.943150166e+00 2.30 -3.104530612e+00 -3.104530612e+00 2.32 -3.248319998e+00 -3.248319998e+00 2.34 -3.375762257e+00 -3.375762257e+00 2.36 -3.488020098e+00 -3.488020098e+00 2.38 -3.586180378e+00 -3.586180378e+00 2.40 -3.671259108e+00 -3.671259108e+00 2.42 -3.744206096e+00 -3.744206096e+00 2.44 -3.653124127e+00 -3.653124127e+00 2.46 -3.713639671e+00 -3.713639671e+00 2.48 -3.763962467e+00 -3.763962467e+00 2.50 -3.804850965e+00 -3.804850965e+00 2.52 -3.702923003e+00 -3.702923003e+00 2.54 -3.735195036e+00 -3.735195036e+00 2.56 -3.759530641e+00 -3.759530641e+00 2.58 -3.776538979e+00 -3.776538979e+00 2.60 -3.786789672e+00 -3.786789672e+00 2.62 -3.790815290e+00 -3.790815290e+00 2.64 -3.789113684e+00 -3.789113684e+00 2.66 -3.782150167e+00 -3.782150167e+00 2.68 -3.770359551e+00 -3.770359551e+00 2.70 -3.754148065e+00 -3.754148065e+00 2.72 -3.733895139e+00 -3.733895139e+00 2.74 -3.672962596e+00 -3.672962596e+00 2.76 -3.647670100e+00 -3.647670100e+00 2.78 -3.619221736e+00 -3.619221736e+00 2.80 -3.587911257e+00 -3.587911257e+00 2.82 -3.554012706e+00 -3.554012706e+00 2.84 -3.517781645e+00 -3.517781645e+00 2.86 -3.479456304e+00 -3.479456304e+00 2.88 -3.439258661e+00 -3.439258661e+00 2.90 -3.397395452e+00 -3.397395452e+00 2.92 -3.354059122e+00 -3.354059122e+00 2.94 -3.309428717e+00 -3.309428717e+00 2.96 -3.263670716e+00 -3.263670716e+00 2.98 -3.216939822e+00 -3.216939822e+00 3.00 -3.169379693e+00 -3.169379693e+00 3.02 -3.121123640e+00 -3.121123640e+00 3.04 -3.072295271e+00 -3.072295271e+00 3.06 -3.023009102e+00 -3.023009102e+00 3.08 -2.973371134e+00 -2.973371134e+00 3.10 -2.923479384e+00 -2.923479384e+00 3.12 -2.873424395e+00 -2.873424395e+00 3.14 -2.823289711e+00 -2.823289711e+00 3.16 -2.723434521e+00 -2.723434521e+00 3.18 -2.675707194e+00 -2.675707194e+00 3.20 -2.628003202e+00 -2.628003202e+00 3.22 -2.580387374e+00 -2.580387374e+00 3.24 -2.532919284e+00 -2.532919284e+00 3.26 -2.485653583e+00 -2.485653583e+00 3.28 -2.438640316e+00 -2.438640316e+00 3.30 -2.253954312e+00 -2.253954312e+00 3.32 -2.214021909e+00 -2.214021909e+00 3.34 -2.174168583e+00 -2.174168583e+00 3.36 -2.134442400e+00 -2.134442400e+00 3.38 -2.094887529e+00 -2.094887529e+00 3.40 -2.055544484e+00 -2.055544484e+00 3.42 -2.016450353e+00 -2.016450353e+00 3.44 -1.977639015e+00 -1.977639015e+00 3.46 -1.939141341e+00 -1.939141341e+00 3.48 -1.900985387e+00 -1.900985387e+00 3.50 -1.863196575e+00 -1.863196575e+00 3.52 -1.825797859e+00 -1.825797859e+00 3.54 -1.788809889e+00 -1.788809889e+00 3.56 -1.752251159e+00 -1.752251159e+00 3.58 -1.716138151e+00 -1.716138151e+00 3.60 -1.680485467e+00 -1.680485467e+00 3.62 -1.645305955e+00 -1.645305955e+00 3.64 -1.610610827e+00 -1.610610827e+00 3.66 -1.576409772e+00 -1.576409772e+00 3.68 -1.542711059e+00 -1.542711059e+00 3.70 -1.509521636e+00 -1.509521636e+00 3.72 -1.476847224e+00 -1.476847224e+00 3.74 -1.444692402e+00 -1.444692402e+00 3.76 -1.413060692e+00 -1.413060692e+00 3.78 -1.381954632e+00 -1.381954632e+00 3.80 -1.351375852e+00 -1.351375852e+00 3.82 -1.321325140e+00 -1.321325140e+00 3.84 -1.291802509e+00 -1.291802509e+00 3.86 -1.186613078e+00 -1.186613078e+00 3.88 -1.161085704e+00 -1.161085704e+00 3.90 -1.135969225e+00 -1.135969225e+00 3.92 -1.111265405e+00 -1.111265405e+00 3.94 -1.086975336e+00 -1.086975336e+00 3.96 -1.063099491e+00 -1.063099491e+00 3.98 -1.039637767e+00 -1.039637767e+00 4.00 -1.016589531e+00 -1.016589531e+00 4.02 -9.939536574e-01 -9.939536574e-01 4.04 -9.717285704e-01 -9.717285704e-01 4.06 -9.499122773e-01 -9.499122773e-01 4.08 -9.285024033e-01 -9.285024033e-01 4.10 -9.074962233e-01 -9.074962233e-01 4.12 -8.868906920e-01 -8.868906920e-01 4.14 -8.666824717e-01 -8.666824717e-01 4.16 -8.468679588e-01 -8.468679588e-01 4.18 -8.274433083e-01 -8.274433083e-01 4.20 -8.084044574e-01 -8.084044574e-01 4.22 -7.897471468e-01 -7.897471468e-01 4.24 -7.714669410e-01 -7.714669410e-01 4.26 -7.535592477e-01 -7.535592477e-01 4.28 -7.360193351e-01 -7.360193351e-01 4.30 -7.188423491e-01 -7.188423491e-01 4.32 -7.020233284e-01 -7.020233284e-01 4.34 -6.855572189e-01 -6.855572189e-01 4.36 -6.694388879e-01 -6.694388879e-01 4.38 -6.536631361e-01 -6.536631361e-01 4.40 -6.382247096e-01 -6.382247096e-01 4.42 -6.231183107e-01 -6.231183107e-01 4.44 -6.083386085e-01 -6.083386085e-01 4.46 -5.938802477e-01 -5.938802477e-01 4.48 -5.797378580e-01 -5.797378580e-01 4.50 -5.659060618e-01 -5.659060618e-01 4.52 -5.523794821e-01 -5.523794821e-01 4.54 -5.391527490e-01 -5.391527490e-01 4.56 -5.262205067e-01 -5.262205067e-01 4.58 -5.135774188e-01 -5.135774188e-01 4.60 -5.012181744e-01 -5.012181744e-01 4.62 -4.891374926e-01 -4.891374926e-01 4.64 -4.773301274e-01 -4.773301274e-01 4.66 -4.657908719e-01 -4.657908719e-01 4.68 -4.545145618e-01 -4.545145618e-01 4.70 -4.434960794e-01 -4.434960794e-01 4.72 -4.327303564e-01 -4.327303564e-01 4.74 -4.222123769e-01 -4.222123769e-01 4.76 -4.119371800e-01 -4.119371800e-01 4.78 -4.018998621e-01 -4.018998621e-01 4.80 -3.920955790e-01 -3.920955790e-01 4.82 -3.825195477e-01 -3.825195477e-01 4.84 -3.731670479e-01 -3.731670479e-01 4.86 -3.640334238e-01 -3.640334238e-01 4.88 -3.551140847e-01 -3.551140847e-01 4.90 -3.464045068e-01 -3.464045068e-01 4.92 -3.379002336e-01 -3.379002336e-01 4.94 -3.295968765e-01 -3.295968765e-01 4.96 -3.214901158e-01 -3.214901158e-01 4.98 -3.135757012e-01 -3.135757012e-01 5.00 -3.058494514e-01 -3.058494514e-01 5.02 -2.983072552e-01 -2.983072552e-01 5.04 -2.909450711e-01 -2.909450711e-01 5.06 -2.837589274e-01 -2.837589274e-01 5.08 -2.767449222e-01 -2.767449222e-01 5.10 -2.698992231e-01 -2.698992231e-01 5.12 -2.632180672e-01 -2.632180672e-01 5.14 -2.566977604e-01 -2.566977604e-01 5.16 -2.503346773e-01 -2.503346773e-01 5.18 -2.441252608e-01 -2.441252608e-01 5.20 -2.380660213e-01 -2.380660213e-01 5.22 -2.321535366e-01 -2.321535366e-01 5.24 -2.263844507e-01 -2.263844507e-01 5.26 -2.207554738e-01 -2.207554738e-01 5.28 -2.152633812e-01 -2.152633812e-01 5.30 -2.099050126e-01 -2.099050126e-01 5.32 -2.046772718e-01 -2.046772718e-01 5.34 -1.995771254e-01 -1.995771254e-01 5.36 -1.946016021e-01 -1.946016021e-01 5.38 -1.897477922e-01 -1.897477922e-01 5.40 -1.850128466e-01 -1.850128466e-01 5.42 -1.803939758e-01 -1.803939758e-01 5.44 -1.758884493e-01 -1.758884493e-01 5.46 -1.335091698e-01 -1.335091698e-01 5.48 -1.302657810e-01 -1.302657810e-01 5.50 -1.270993436e-01 -1.270993436e-01 5.52 -1.240081243e-01 -1.240081243e-01 5.54 -1.209904243e-01 -1.209904243e-01 5.56 -1.180445787e-01 -1.180445787e-01 5.58 -1.151689560e-01 -1.151689560e-01 5.60 -1.123619574e-01 -1.123619574e-01 5.62 -1.096220170e-01 -1.096220170e-01 5.64 -1.069476007e-01 -1.069476007e-01 5.66 -1.043372063e-01 -1.043372063e-01 5.68 -1.017893625e-01 -1.017893625e-01 5.70 -9.930262868e-02 -9.930262868e-02 5.72 -9.687559461e-02 -9.687559461e-02 5.74 -9.450687965e-02 -9.450687965e-02 5.76 -9.219513244e-02 -9.219513244e-02 5.78 -8.993903040e-02 -8.993903040e-02 5.80 -8.773727923e-02 -8.773727923e-02 5.82 -8.558861248e-02 -8.558861248e-02 5.84 -8.349179099e-02 -8.349179099e-02 5.86 -8.144560249e-02 -8.144560249e-02 5.88 -7.944886111e-02 -7.944886111e-02 5.90 -7.750040686e-02 -7.750040686e-02 5.92 -7.559910521e-02 -7.559910521e-02 5.94 -7.374384663e-02 -7.374384663e-02 5.96 -7.193354608e-02 -7.193354608e-02 5.98 -7.016714258e-02 -7.016714258e-02 6.00 -6.844359877e-02 -6.844359877e-02