# 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 = AlCoCr2 # 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 2.506407940e+02 2.506407940e+02 1.10 2.313287471e+02 2.313287471e+02 1.12 2.132553733e+02 2.132553733e+02 1.14 1.965395392e+02 1.965395392e+02 1.16 1.813559980e+02 1.813559980e+02 1.18 1.672872873e+02 1.672872873e+02 1.20 1.547320412e+02 1.547320412e+02 1.22 1.427422711e+02 1.427422711e+02 1.24 1.315709320e+02 1.315709320e+02 1.26 1.214522918e+02 1.214523574e+02 1.28 1.120530125e+02 1.120530125e+02 1.30 1.033835537e+02 1.033835537e+02 1.32 9.521281532e+01 9.521281532e+01 1.34 8.795044145e+01 8.795044145e+01 1.36 8.093272086e+01 8.093272086e+01 1.38 7.446755281e+01 7.446755281e+01 1.40 6.845908761e+01 6.845908761e+01 1.42 6.289786834e+01 6.289786834e+01 1.44 5.802870878e+01 5.802870878e+01 1.46 5.345195781e+01 5.345195781e+01 1.48 4.898435662e+01 4.898435662e+01 1.50 4.484692300e+01 4.484692300e+01 1.52 4.111613949e+01 4.111613949e+01 1.54 3.775111399e+01 3.775111399e+01 1.56 3.443247699e+01 3.443247699e+01 1.58 3.139511483e+01 3.139511483e+01 1.60 2.854434749e+01 2.854434749e+01 1.62 2.590388758e+01 2.590388758e+01 1.64 2.345834251e+01 2.345834251e+01 1.66 2.129124818e+01 2.129124818e+01 1.68 1.928115473e+01 1.928115473e+01 1.70 1.732192264e+01 1.732192264e+01 1.72 1.550877396e+01 1.550877396e+01 1.74 1.393617291e+01 1.393617291e+01 1.76 1.237523841e+01 1.237523841e+01 1.78 1.093210142e+01 1.093210142e+01 1.80 9.598392012e+00 9.598392012e+00 1.82 8.497250816e+00 8.497250816e+00 1.84 7.348327372e+00 7.348327372e+00 1.86 6.482933942e+00 6.482933942e+00 1.88 5.488593833e+00 5.488593833e+00 1.90 4.572427842e+00 4.572427842e+00 1.92 3.728914470e+00 3.728914470e+00 1.94 3.006583050e+00 3.006583050e+00 1.96 2.289073630e+00 2.289073630e+00 1.98 1.630245536e+00 1.630245536e+00 2.00 1.025957817e+00 1.025957817e+00 2.02 4.723601436e-01 4.723601436e-01 2.04 -3.412870883e-02 -3.412870883e-02 2.06 -4.968406423e-01 -4.968406423e-01 2.08 -9.188764484e-01 -9.188764484e-01 2.10 -1.215636779e+00 -1.215638352e+00 2.12 -1.523629991e+00 -1.523629991e+00 2.14 -1.849963013e+00 -1.849963013e+00 2.16 -2.145285803e+00 -2.145285803e+00 2.18 -2.411826398e+00 -2.411826398e+00 2.20 -2.651660579e+00 -2.651660579e+00 2.22 -2.866722548e+00 -2.866722548e+00 2.24 -2.951456406e+00 -2.951456406e+00 2.26 -3.129725593e+00 -3.129725593e+00 2.28 -3.287750327e+00 -3.287750327e+00 2.30 -3.427026383e+00 -3.427026383e+00 2.32 -3.548948091e+00 -3.548948091e+00 2.34 -3.654815254e+00 -3.654815254e+00 2.36 -3.745839570e+00 -3.745839570e+00 2.38 -3.823150600e+00 -3.823150600e+00 2.40 -3.887801306e+00 -3.887801306e+00 2.42 -3.940773210e+00 -3.940773210e+00 2.44 -3.877630651e+00 -3.877630651e+00 2.46 -3.916831393e+00 -3.916831393e+00 2.48 -3.946464307e+00 -3.946464307e+00 2.50 -3.967299120e+00 -3.967299120e+00 2.52 -3.881239928e+00 -3.881239928e+00 2.54 -3.892927945e+00 -3.892927945e+00 2.56 -3.897419713e+00 -3.897419713e+00 2.58 -3.895320858e+00 -3.895320858e+00 2.60 -3.887195472e+00 -3.887195472e+00 2.62 -3.873568837e+00 -3.873568837e+00 2.64 -3.854929963e+00 -3.854929963e+00 2.66 -3.831733961e+00 -3.831733961e+00 2.68 -3.804404259e+00 -3.804404259e+00 2.70 -3.773334675e+00 -3.773334675e+00 2.72 -3.738891351e+00 -3.738891351e+00 2.74 -3.674302762e+00 -3.674302762e+00 2.76 -3.635658363e+00 -3.635658363e+00 2.78 -3.594501318e+00 -3.594501318e+00 2.80 -3.551109082e+00 -3.551109082e+00 2.82 -3.505739090e+00 -3.505739090e+00 2.84 -3.458630067e+00 -3.458630067e+00 2.86 -3.410003248e+00 -3.410003248e+00 2.88 -3.360063530e+00 -3.360063530e+00 2.90 -3.309000539e+00 -3.309000539e+00 2.92 -3.256989635e+00 -3.256989635e+00 2.94 -3.204192854e+00 -3.204192854e+00 2.96 -3.150759782e+00 -3.150759782e+00 2.98 -3.096828383e+00 -3.096828383e+00 3.00 -3.042525765e+00 -3.042525765e+00 3.02 -2.987968906e+00 -2.987968906e+00 3.04 -2.933265326e+00 -2.933265326e+00 3.06 -2.878513721e+00 -2.878513721e+00 3.08 -2.823804553e+00 -2.823804553e+00 3.10 -2.769220608e+00 -2.769220608e+00 3.12 -2.714837512e+00 -2.714837512e+00 3.14 -2.660724218e+00 -2.660724218e+00 3.16 -2.572734042e+00 -2.572734042e+00 3.18 -2.521092592e+00 -2.521092592e+00 3.20 -2.469802912e+00 -2.469802912e+00 3.22 -2.418916051e+00 -2.418916051e+00 3.24 -2.368478166e+00 -2.368478166e+00 3.26 -2.318530855e+00 -2.318530855e+00 3.28 -2.269111479e+00 -2.269111479e+00 3.30 -2.118418661e+00 -2.118418661e+00 3.32 -2.075166961e+00 -2.075166961e+00 3.34 -2.032286596e+00 -2.032286596e+00 3.36 -1.989812725e+00 -1.989812725e+00 3.38 -1.947777001e+00 -1.947777001e+00 3.40 -1.906207813e+00 -1.906207813e+00 3.42 -1.865130505e+00 -1.865130505e+00 3.44 -1.824567595e+00 -1.824567595e+00 3.46 -1.784538965e+00 -1.784538965e+00 3.48 -1.745062055e+00 -1.745062055e+00 3.50 -1.706152028e+00 -1.706152028e+00 3.52 -1.667821941e+00 -1.667821941e+00 3.54 -1.630082893e+00 -1.630082893e+00 3.56 -1.592944172e+00 -1.592944172e+00 3.58 -1.556413387e+00 -1.556413387e+00 3.60 -1.520496595e+00 -1.520496595e+00 3.62 -1.485198418e+00 -1.485198418e+00 3.64 -1.450522156e+00 -1.450522156e+00 3.66 -1.416469887e+00 -1.416469887e+00 3.68 -1.383042566e+00 -1.383042566e+00 3.70 -1.350240115e+00 -1.350240115e+00 3.72 -1.318061508e+00 -1.318061508e+00 3.74 -1.286504850e+00 -1.286504850e+00 3.76 -1.255567450e+00 -1.255567450e+00 3.78 -1.225245893e+00 -1.225245893e+00 3.80 -1.195536102e+00 -1.195536102e+00 3.82 -1.166433398e+00 -1.166433398e+00 3.84 -1.137932559e+00 -1.137932559e+00 3.86 -1.054091184e+00 -1.054091184e+00 3.88 -1.029057006e+00 -1.029057006e+00 3.90 -1.004513109e+00 -1.004513109e+00 3.92 -9.804563726e-01 -9.804563726e-01 3.94 -9.568832090e-01 -9.568832090e-01 3.96 -9.337896072e-01 -9.337896072e-01 3.98 -9.111711713e-01 -9.111711713e-01 4.00 -8.890231578e-01 -8.890231578e-01 4.02 -8.673405109e-01 -8.673405109e-01 4.04 -8.461178945e-01 -8.461178945e-01 4.06 -8.253497225e-01 -8.253497225e-01 4.08 -8.050301874e-01 -8.050301874e-01 4.10 -7.851532859e-01 -7.851532859e-01 4.12 -7.657128440e-01 -7.657128440e-01 4.14 -7.467025394e-01 -7.467025394e-01 4.16 -7.281159226e-01 -7.281159226e-01 4.18 -7.099464369e-01 -7.099464369e-01 4.20 -6.921874361e-01 -6.921874361e-01 4.22 -6.748322019e-01 -6.748322019e-01 4.24 -6.578739595e-01 -6.578739595e-01 4.26 -6.413058916e-01 -6.413058916e-01 4.28 -6.251211523e-01 -6.251211523e-01 4.30 -6.093128794e-01 -6.093128794e-01 4.32 -5.938742057e-01 -5.938742057e-01 4.34 -5.787982694e-01 -5.787982694e-01 4.36 -5.640782238e-01 -5.640782238e-01 4.38 -5.497072464e-01 -5.497072464e-01 4.40 -5.356785468e-01 -5.356785468e-01 4.42 -5.219853740e-01 -5.219853740e-01 4.44 -5.086210234e-01 -5.086210234e-01 4.46 -4.955788429e-01 -4.955788429e-01 4.48 -4.828522383e-01 -4.828522383e-01 4.50 -4.704346787e-01 -4.704346787e-01 4.52 -4.583197007e-01 -4.583197007e-01 4.54 -4.465009129e-01 -4.465009129e-01 4.56 -4.349719990e-01 -4.349719990e-01 4.58 -4.237267216e-01 -4.237267216e-01 4.60 -4.127589249e-01 -4.127589249e-01 4.62 -4.020625371e-01 -4.020625371e-01 4.64 -3.916315726e-01 -3.916315726e-01 4.66 -3.814601343e-01 -3.814601343e-01 4.68 -3.715424147e-01 -3.715424147e-01 4.70 -3.618726976e-01 -3.618726976e-01 4.72 -3.524453590e-01 -3.524453590e-01 4.74 -3.432548684e-01 -3.432548684e-01 4.76 -3.342957888e-01 -3.342957888e-01 4.78 -3.255627777e-01 -3.255627777e-01 4.80 -3.170505876e-01 -3.170505876e-01 4.82 -3.087540654e-01 -3.087540654e-01 4.84 -3.006681531e-01 -3.006681531e-01 4.86 -2.927878873e-01 -2.927878873e-01 4.88 -2.851083992e-01 -2.851083992e-01 4.90 -2.776249138e-01 -2.776249138e-01 4.92 -2.703327499e-01 -2.703327499e-01 4.94 -2.632273190e-01 -2.632273190e-01 4.96 -2.563041250e-01 -2.563041250e-01 4.98 -2.495587635e-01 -2.495587635e-01 5.00 -2.429869205e-01 -2.429869205e-01 5.02 -2.365843719e-01 -2.365843719e-01 5.04 -2.303469824e-01 -2.303469824e-01 5.06 -2.242707045e-01 -2.242707045e-01 5.08 -2.183515775e-01 -2.183515775e-01 5.10 -2.125857263e-01 -2.125857263e-01 5.12 -2.069693602e-01 -2.069693602e-01 5.14 -2.014987718e-01 -2.014987718e-01 5.16 -1.961703360e-01 -1.961703360e-01 5.18 -1.909805084e-01 -1.909805084e-01 5.20 -1.859258242e-01 -1.859258242e-01 5.22 -1.810028971e-01 -1.810028971e-01 5.24 -1.762084178e-01 -1.762084178e-01 5.26 -1.715391528e-01 -1.715391528e-01 5.28 -1.669919430e-01 -1.669919430e-01 5.30 -1.625637025e-01 -1.625637025e-01 5.32 -1.582514173e-01 -1.582514173e-01 5.34 -1.540521441e-01 -1.540521441e-01 5.36 -1.499630085e-01 -1.499630085e-01 5.38 -1.459812043e-01 -1.459812043e-01 5.40 -1.421039919e-01 -1.421039919e-01 5.42 -1.383286970e-01 -1.383286970e-01 5.44 -1.346527094e-01 -1.346527094e-01 5.46 -1.048947867e-01 -1.048947867e-01 5.48 -1.021914263e-01 -1.021914263e-01 5.50 -9.955664829e-02 -9.955664829e-02 5.52 -9.698877284e-02 -9.698877284e-02 5.54 -9.448615781e-02 -9.448615781e-02 5.56 -9.204719832e-02 -9.204719832e-02 5.58 -8.967032603e-02 -8.967032603e-02 5.60 -8.735400847e-02 -8.735400847e-02 5.62 -8.509674837e-02 -8.509674837e-02 5.64 -8.289708298e-02 -8.289708298e-02 5.66 -8.075358346e-02 -8.075358346e-02 5.68 -7.866485418e-02 -7.866485418e-02 5.70 -7.662953210e-02 -7.662953210e-02 5.72 -7.464628611e-02 -7.464628611e-02 5.74 -7.271381637e-02 -7.271381637e-02 5.76 -7.083085374e-02 -7.083085374e-02 5.78 -6.899615909e-02 -6.899615909e-02 5.80 -6.720852274e-02 -6.720852274e-02 5.82 -6.546676378e-02 -6.546676378e-02 5.84 -6.376972954e-02 -6.376972954e-02 5.86 -6.211629495e-02 -6.211629495e-02 5.88 -6.050536194e-02 -6.050536194e-02 5.90 -5.893585893e-02 -5.893585893e-02 5.92 -5.740674019e-02 -5.740674019e-02 5.94 -5.591698528e-02 -5.591698528e-02 5.96 -5.446559856e-02 -5.446559856e-02 5.98 -5.305160859e-02 -5.305160859e-02 6.00 -5.167406758e-02 -5.167406758e-02