# 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 = CrFe2Mn # 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 2.240930937e+02 2.240930937e+02 1.10 2.065728652e+02 2.065728652e+02 1.12 1.902118591e+02 1.902118591e+02 1.14 1.751020935e+02 1.751020935e+02 1.16 1.613648005e+02 1.613648005e+02 1.18 1.486470860e+02 1.486470860e+02 1.20 1.372691409e+02 1.372691409e+02 1.22 1.264451183e+02 1.264451183e+02 1.24 1.163818100e+02 1.163818100e+02 1.26 1.072549668e+02 1.072549763e+02 1.28 9.878681097e+01 9.878681097e+01 1.30 9.097324048e+01 9.097324048e+01 1.32 8.363679449e+01 8.363679449e+01 1.34 7.709457500e+01 7.709457500e+01 1.36 7.080543793e+01 7.080543793e+01 1.38 6.501271656e+01 6.501271656e+01 1.40 5.963740797e+01 5.963740797e+01 1.42 5.466671967e+01 5.466671967e+01 1.44 5.029330937e+01 5.029330937e+01 1.46 4.618332973e+01 4.618332973e+01 1.48 4.220593449e+01 4.220593449e+01 1.50 3.852646900e+01 3.852646900e+01 1.52 3.520439877e+01 3.520439877e+01 1.54 3.220288984e+01 3.220288984e+01 1.56 2.926379218e+01 2.926379218e+01 1.58 2.657269934e+01 2.657269934e+01 1.60 2.405485439e+01 2.405485439e+01 1.62 2.172601966e+01 2.172601966e+01 1.64 1.957224885e+01 1.957224885e+01 1.66 1.765971462e+01 1.765971462e+01 1.68 1.588816724e+01 1.588816724e+01 1.70 1.417182652e+01 1.417182652e+01 1.72 1.258623773e+01 1.258623773e+01 1.74 1.120146015e+01 1.120146015e+01 1.76 9.842198241e+00 9.842198241e+00 1.78 8.588065510e+00 8.588065510e+00 1.80 7.431501684e+00 7.431501684e+00 1.82 6.471570581e+00 6.471570581e+00 1.84 5.480180192e+00 5.480180192e+00 1.86 4.724084338e+00 4.724084338e+00 1.88 3.871036490e+00 3.871036490e+00 1.90 3.087243673e+00 3.087243673e+00 1.92 2.367738282e+00 2.367738282e+00 1.94 1.748631688e+00 1.748631688e+00 1.96 1.140759615e+00 1.140759615e+00 1.98 5.846023818e-01 5.846023818e-01 2.00 7.644430364e-02 7.644430364e-02 2.02 -3.871670442e-01 -3.871670442e-01 2.04 -8.094404036e-01 -8.094404036e-01 2.06 -1.193358836e+00 -1.193358836e+00 2.08 -1.541696287e+00 -1.541696287e+00 2.10 -1.786631238e+00 -1.786631467e+00 2.12 -2.038488660e+00 -2.038488660e+00 2.14 -2.302935179e+00 -2.302935179e+00 2.16 -2.540463489e+00 -2.540463489e+00 2.18 -2.753056973e+00 -2.753056973e+00 2.20 -2.942561634e+00 -2.942561634e+00 2.22 -3.110695798e+00 -3.110695798e+00 2.24 -3.177579821e+00 -3.177579821e+00 2.26 -3.313662213e+00 -3.313662213e+00 2.28 -3.432409008e+00 -3.432409008e+00 2.30 -3.535143242e+00 -3.535143242e+00 2.32 -3.623096668e+00 -3.623096668e+00 2.34 -3.697416047e+00 -3.697416047e+00 2.36 -3.759168979e+00 -3.759168979e+00 2.38 -3.809349325e+00 -3.809349325e+00 2.40 -3.848882234e+00 -3.848882234e+00 2.42 -3.878628819e+00 -3.878628819e+00 2.44 -3.814009135e+00 -3.814009135e+00 2.46 -3.832286780e+00 -3.832286780e+00 2.48 -3.842632719e+00 -3.842632719e+00 2.50 -3.845718200e+00 -3.845718200e+00 2.52 -3.762777186e+00 -3.762777186e+00 2.54 -3.758413374e+00 -3.758413374e+00 2.56 -3.748189421e+00 -3.748189421e+00 2.58 -3.732629780e+00 -3.732629780e+00 2.60 -3.712221965e+00 -3.712221965e+00 2.62 -3.687419004e+00 -3.687419004e+00 2.64 -3.658641740e+00 -3.658641740e+00 2.66 -3.626280970e+00 -3.626280970e+00 2.68 -3.590699446e+00 -3.590699446e+00 2.70 -3.552233739e+00 -3.552233739e+00 2.72 -3.511195984e+00 -3.511195984e+00 2.74 -3.447286443e+00 -3.447286443e+00 2.76 -3.403197903e+00 -3.403197903e+00 2.78 -3.357267627e+00 -3.357267627e+00 2.80 -3.309729746e+00 -3.309729746e+00 2.82 -3.260800818e+00 -3.260800818e+00 2.84 -3.210681006e+00 -3.210681006e+00 2.86 -3.159555174e+00 -3.159555174e+00 2.88 -3.107593914e+00 -3.107593914e+00 2.90 -3.054954501e+00 -3.054954501e+00 2.92 -3.001781791e+00 -3.001781791e+00 2.94 -2.948209061e+00 -2.948209061e+00 2.96 -2.894358790e+00 -2.894358790e+00 2.98 -2.840343391e+00 -2.840343391e+00 3.00 -2.786265899e+00 -2.786265899e+00 3.02 -2.732220610e+00 -2.732220610e+00 3.04 -2.678293679e+00 -2.678293679e+00 3.06 -2.624563684e+00 -2.624563684e+00 3.08 -2.571102146e+00 -2.571102146e+00 3.10 -2.517974022e+00 -2.517974022e+00 3.12 -2.465238161e+00 -2.465238161e+00 3.14 -2.412947735e+00 -2.412947735e+00 3.16 -2.333447032e+00 -2.333447032e+00 3.18 -2.283644104e+00 -2.283644104e+00 3.20 -2.234339499e+00 -2.234339499e+00 3.22 -2.185571406e+00 -2.185571406e+00 3.24 -2.137373890e+00 -2.137373890e+00 3.26 -2.089777187e+00 -2.089777187e+00 3.28 -2.042807987e+00 -2.042807987e+00 3.30 -1.914600072e+00 -1.914600072e+00 3.32 -1.873099892e+00 -1.873099892e+00 3.34 -1.832079333e+00 -1.832079333e+00 3.36 -1.791563775e+00 -1.791563775e+00 3.38 -1.751575670e+00 -1.751575670e+00 3.40 -1.712134753e+00 -1.712134753e+00 3.42 -1.673258235e+00 -1.673258235e+00 3.44 -1.634960988e+00 -1.634960988e+00 3.46 -1.597255720e+00 -1.597255720e+00 3.48 -1.560153129e+00 -1.560153129e+00 3.50 -1.523662061e+00 -1.523662061e+00 3.52 -1.487789647e+00 -1.487789647e+00 3.54 -1.452541436e+00 -1.452541436e+00 3.56 -1.417921517e+00 -1.417921517e+00 3.58 -1.383932637e+00 -1.383932637e+00 3.60 -1.350576308e+00 -1.350576308e+00 3.62 -1.317852906e+00 -1.317852906e+00 3.64 -1.285761766e+00 -1.285761766e+00 3.66 -1.254301273e+00 -1.254301273e+00 3.68 -1.223468939e+00 -1.223468939e+00 3.70 -1.193261484e+00 -1.193261484e+00 3.72 -1.163674904e+00 -1.163674904e+00 3.74 -1.134704541e+00 -1.134704541e+00 3.76 -1.106345144e+00 -1.106345144e+00 3.78 -1.078590923e+00 -1.078590923e+00 3.80 -1.051435611e+00 -1.051435611e+00 3.82 -1.024872507e+00 -1.024872507e+00 3.84 -9.988945247e-01 -9.988945247e-01 3.86 -9.309347248e-01 -9.309347248e-01 3.88 -9.079428307e-01 -9.079428307e-01 3.90 -8.854338002e-01 -8.854338002e-01 3.92 -8.634027898e-01 -8.634027898e-01 3.94 -8.418446175e-01 -8.418446175e-01 3.96 -8.207537982e-01 -8.207537982e-01 3.98 -8.001245772e-01 -8.001245772e-01 4.00 -7.799509605e-01 -7.799509605e-01 4.02 -7.602267439e-01 -7.602267439e-01 4.04 -7.409455395e-01 -7.409455395e-01 4.06 -7.221008006e-01 -7.221008006e-01 4.08 -7.036858445e-01 -7.036858445e-01 4.10 -6.856938739e-01 -6.856938739e-01 4.12 -6.681179968e-01 -6.681179968e-01 4.14 -6.509512447e-01 -6.509512447e-01 4.16 -6.341865894e-01 -6.341865894e-01 4.18 -6.178169590e-01 -6.178169590e-01 4.20 -6.018352518e-01 -6.018352518e-01 4.22 -5.862343503e-01 -5.862343503e-01 4.24 -5.710071326e-01 -5.710071326e-01 4.26 -5.561464843e-01 -5.561464843e-01 4.28 -5.416453087e-01 -5.416453087e-01 4.30 -5.274965360e-01 -5.274965360e-01 4.32 -5.136931320e-01 -5.136931320e-01 4.34 -5.002281065e-01 -5.002281065e-01 4.36 -4.870945195e-01 -4.870945195e-01 4.38 -4.742854887e-01 -4.742854887e-01 4.40 -4.617941947e-01 -4.617941947e-01 4.42 -4.496138867e-01 -4.496138867e-01 4.44 -4.377378870e-01 -4.377378870e-01 4.46 -4.261595956e-01 -4.261595956e-01 4.48 -4.148724936e-01 -4.148724936e-01 4.50 -4.038701471e-01 -4.038701471e-01 4.52 -3.931462094e-01 -3.931462094e-01 4.54 -3.826944246e-01 -3.826944246e-01 4.56 -3.725086289e-01 -3.725086289e-01 4.58 -3.625827530e-01 -3.625827530e-01 4.60 -3.529108237e-01 -3.529108237e-01 4.62 -3.434869652e-01 -3.434869652e-01 4.64 -3.343053999e-01 -3.343053999e-01 4.66 -3.253604499e-01 -3.253604499e-01 4.68 -3.166465368e-01 -3.166465368e-01 4.70 -3.081581827e-01 -3.081581827e-01 4.72 -2.998900103e-01 -2.998900103e-01 4.74 -2.918367429e-01 -2.918367429e-01 4.76 -2.839932040e-01 -2.839932040e-01 4.78 -2.763543178e-01 -2.763543178e-01 4.80 -2.689151081e-01 -2.689151081e-01 4.82 -2.616706981e-01 -2.616706981e-01 4.84 -2.546163097e-01 -2.546163097e-01 4.86 -2.477472631e-01 -2.477472631e-01 4.88 -2.410589753e-01 -2.410589753e-01 4.90 -2.345469600e-01 -2.345469600e-01 4.92 -2.282068261e-01 -2.282068261e-01 4.94 -2.220342768e-01 -2.220342768e-01 4.96 -2.160251085e-01 -2.160251085e-01 4.98 -2.101752099e-01 -2.101752099e-01 5.00 -2.044805603e-01 -2.044805603e-01 5.02 -1.989372288e-01 -1.989372288e-01 5.04 -1.935413729e-01 -1.935413729e-01 5.06 -1.882892372e-01 -1.882892372e-01 5.08 -1.831771518e-01 -1.831771518e-01 5.10 -1.782015314e-01 -1.782015314e-01 5.12 -1.733588737e-01 -1.733588737e-01 5.14 -1.686457578e-01 -1.686457578e-01 5.16 -1.640588432e-01 -1.640588432e-01 5.18 -1.595948681e-01 -1.595948681e-01 5.20 -1.552506482e-01 -1.552506482e-01 5.22 -1.510230750e-01 -1.510230750e-01 5.24 -1.469091145e-01 -1.469091145e-01 5.26 -1.429058061e-01 -1.429058061e-01 5.28 -1.390102607e-01 -1.390102607e-01 5.30 -1.352196593e-01 -1.352196593e-01 5.32 -1.315312522e-01 -1.315312522e-01 5.34 -1.279423568e-01 -1.279423568e-01 5.36 -1.244503569e-01 -1.244503569e-01 5.38 -1.210527008e-01 -1.210527008e-01 5.40 -1.177469004e-01 -1.177469004e-01 5.42 -1.145305293e-01 -1.145305293e-01 5.44 -1.114012221e-01 -1.114012221e-01 5.46 -8.714393312e-02 -8.714393312e-02 5.48 -8.483364621e-02 -8.483364621e-02 5.50 -8.258373324e-02 -8.258373324e-02 5.52 -8.039266363e-02 -8.039266363e-02 5.54 -7.825894299e-02 -7.825894299e-02 5.56 -7.618111248e-02 -7.618111248e-02 5.58 -7.415774804e-02 -7.415774804e-02 5.60 -7.218745974e-02 -7.218745974e-02 5.62 -7.026889105e-02 -7.026889105e-02 5.64 -6.840071817e-02 -6.840071817e-02 5.66 -6.658164934e-02 -6.658164934e-02 5.68 -6.481042418e-02 -6.481042418e-02 5.70 -6.308581299e-02 -6.308581299e-02 5.72 -6.140661614e-02 -6.140661614e-02 5.74 -5.977166341e-02 -5.977166341e-02 5.76 -5.817981333e-02 -5.817981333e-02 5.78 -5.662995255e-02 -5.662995255e-02 5.80 -5.512099525e-02 -5.512099525e-02 5.82 -5.365188250e-02 -5.365188250e-02 5.84 -5.222158168e-02 -5.222158168e-02 5.86 -5.082908588e-02 -5.082908588e-02 5.88 -4.947341330e-02 -4.947341330e-02 5.90 -4.815360670e-02 -4.815360670e-02 5.92 -4.686873284e-02 -4.686873284e-02 5.94 -4.561788190e-02 -4.561788190e-02 5.96 -4.440016699e-02 -4.440016699e-02 5.98 -4.321472355e-02 -4.321472355e-02 6.00 -4.206070889e-02 -4.206070889e-02