# 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 = CoCr2Ni # 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 2.400299777e+02 2.400299777e+02 1.10 2.210079273e+02 2.210079273e+02 1.12 2.032897407e+02 2.032897407e+02 1.14 1.869469417e+02 1.869469417e+02 1.16 1.720774497e+02 1.720774497e+02 1.18 1.583284964e+02 1.583284964e+02 1.20 1.459929570e+02 1.459929570e+02 1.22 1.343099164e+02 1.343099164e+02 1.24 1.234670904e+02 1.234670904e+02 1.26 1.136202792e+02 1.136202765e+02 1.28 1.044971382e+02 1.044971382e+02 1.30 9.608328499e+01 9.608328499e+01 1.32 8.820574468e+01 8.820574468e+01 1.34 8.115647982e+01 8.115647982e+01 1.36 7.441726911e+01 7.441726911e+01 1.38 6.821262352e+01 6.821262352e+01 1.40 6.246270464e+01 6.246270464e+01 1.42 5.715041624e+01 5.715041624e+01 1.44 5.245514256e+01 5.245514256e+01 1.46 4.805222252e+01 4.805222252e+01 1.48 4.381811016e+01 4.381811016e+01 1.50 3.990520369e+01 3.990520369e+01 1.52 3.636618535e+01 3.636618535e+01 1.54 3.316527770e+01 3.316527770e+01 1.56 3.005241015e+01 3.005241015e+01 1.58 2.720233514e+01 2.720233514e+01 1.60 2.454236774e+01 2.454236774e+01 1.62 2.208524012e+01 2.208524012e+01 1.64 1.981585738e+01 1.981585738e+01 1.66 1.779460024e+01 1.779460024e+01 1.68 1.592644646e+01 1.592644646e+01 1.70 1.412704288e+01 1.412704288e+01 1.72 1.246731873e+01 1.246731873e+01 1.74 1.101173610e+01 1.101173610e+01 1.76 9.594292406e+00 9.594292406e+00 1.78 8.288805705e+00 8.288805705e+00 1.80 7.087128324e+00 7.087128324e+00 1.82 6.081594396e+00 6.081594396e+00 1.84 5.056344396e+00 5.056344396e+00 1.86 4.263922388e+00 4.263922388e+00 1.88 3.386441081e+00 3.386441081e+00 1.90 2.582128042e+00 2.582128042e+00 1.92 1.845657565e+00 1.845657565e+00 1.94 1.210353293e+00 1.210353293e+00 1.96 5.918020189e-01 5.918020189e-01 1.98 2.760576073e-02 2.760576073e-02 2.00 -4.862067523e-01 -4.862067523e-01 2.02 -9.533226957e-01 -9.533226957e-01 2.04 -1.377166375e+00 -1.377166375e+00 2.06 -1.760918738e+00 -1.760918738e+00 2.08 -2.107535332e+00 -2.107535332e+00 2.10 -2.352504155e+00 -2.352504090e+00 2.12 -2.601647801e+00 -2.601647801e+00 2.14 -2.860430871e+00 -2.860430871e+00 2.16 -3.091333693e+00 -3.091333693e+00 2.18 -3.296457642e+00 -3.296457642e+00 2.20 -3.477756574e+00 -3.477756574e+00 2.22 -3.637047321e+00 -3.637047321e+00 2.24 -3.699458722e+00 -3.699458722e+00 2.26 -3.825447106e+00 -3.825447106e+00 2.28 -3.933716581e+00 -3.933716581e+00 2.30 -4.025658274e+00 -4.025658274e+00 2.32 -4.102565759e+00 -4.102565759e+00 2.34 -4.165641839e+00 -4.165641839e+00 2.36 -4.216004847e+00 -4.216004847e+00 2.38 -4.254694486e+00 -4.254694486e+00 2.40 -4.282677254e+00 -4.282677254e+00 2.42 -4.300851482e+00 -4.300851482e+00 2.44 -4.229641130e+00 -4.229641130e+00 2.46 -4.236188053e+00 -4.236188053e+00 2.48 -4.234876566e+00 -4.234876566e+00 2.50 -4.226401974e+00 -4.226401974e+00 2.52 -4.135651134e+00 -4.135651134e+00 2.54 -4.119841570e+00 -4.119841570e+00 2.56 -4.098328301e+00 -4.098328301e+00 2.58 -4.071650433e+00 -4.071650433e+00 2.60 -4.040308141e+00 -4.040308141e+00 2.62 -4.004765308e+00 -4.004765308e+00 2.64 -3.965451978e+00 -3.965451978e+00 2.66 -3.922766649e+00 -3.922766649e+00 2.68 -3.877078406e+00 -3.877078406e+00 2.70 -3.828728916e+00 -3.828728916e+00 2.72 -3.778034282e+00 -3.778034282e+00 2.74 -3.705935809e+00 -3.705935809e+00 2.76 -3.652603394e+00 -3.652603394e+00 2.78 -3.597663631e+00 -3.597663631e+00 2.80 -3.541351134e+00 -3.541351134e+00 2.82 -3.483882266e+00 -3.483882266e+00 2.84 -3.425456386e+00 -3.425456386e+00 2.86 -3.366257013e+00 -3.366257013e+00 2.88 -3.306452909e+00 -3.306452909e+00 2.90 -3.246199092e+00 -3.246199092e+00 2.92 -3.185637785e+00 -3.185637785e+00 2.94 -3.124899297e+00 -3.124899297e+00 2.96 -3.064102852e+00 -3.064102852e+00 2.98 -3.003357355e+00 -3.003357355e+00 3.00 -2.942762120e+00 -2.942762120e+00 3.02 -2.882407534e+00 -2.882407534e+00 3.04 -2.822375692e+00 -2.822375692e+00 3.06 -2.762740984e+00 -2.762740984e+00 3.08 -2.703570637e+00 -2.703570637e+00 3.10 -2.644925233e+00 -2.644925233e+00 3.12 -2.586859185e+00 -2.586859185e+00 3.14 -2.529421185e+00 -2.529421185e+00 3.16 -2.446580504e+00 -2.446580504e+00 3.18 -2.391927662e+00 -2.391927662e+00 3.20 -2.337943305e+00 -2.337943305e+00 3.22 -2.284661153e+00 -2.284661153e+00 3.24 -2.232110818e+00 -2.232110818e+00 3.26 -2.180318109e+00 -2.180318109e+00 3.28 -2.129305321e+00 -2.129305321e+00 3.30 -2.000898565e+00 -2.000898565e+00 3.32 -1.955537785e+00 -1.955537785e+00 3.34 -1.910797492e+00 -1.910797492e+00 3.36 -1.866699038e+00 -1.866699038e+00 3.38 -1.823260894e+00 -1.823260894e+00 3.40 -1.780498862e+00 -1.780498862e+00 3.42 -1.738426280e+00 -1.738426280e+00 3.44 -1.697054209e+00 -1.697054209e+00 3.46 -1.656391604e+00 -1.656391604e+00 3.48 -1.616445485e+00 -1.616445485e+00 3.50 -1.577221088e+00 -1.577221088e+00 3.52 -1.538722006e+00 -1.538722006e+00 3.54 -1.500950325e+00 -1.500950325e+00 3.56 -1.463906749e+00 -1.463906749e+00 3.58 -1.427590715e+00 -1.427590715e+00 3.60 -1.392000504e+00 -1.392000504e+00 3.62 -1.357133341e+00 -1.357133341e+00 3.64 -1.322985488e+00 -1.322985488e+00 3.66 -1.289552333e+00 -1.289552333e+00 3.68 -1.256828475e+00 -1.256828475e+00 3.70 -1.224807796e+00 -1.224807796e+00 3.72 -1.193483533e+00 -1.193483533e+00 3.74 -1.162848344e+00 -1.162848344e+00 3.76 -1.132894373e+00 -1.132894373e+00 3.78 -1.103613301e+00 -1.103613301e+00 3.80 -1.074996403e+00 -1.074996403e+00 3.82 -1.047034595e+00 -1.047034595e+00 3.84 -1.019718480e+00 -1.019718480e+00 3.86 -9.530075907e-01 -9.530075907e-01 3.88 -9.287219183e-01 -9.287219183e-01 3.90 -9.049744349e-01 -9.049744349e-01 3.92 -8.817582873e-01 -8.817582873e-01 3.94 -8.590663442e-01 -8.590663442e-01 3.96 -8.368912306e-01 -8.368912306e-01 3.98 -8.152253598e-01 -8.152253598e-01 4.00 -7.940609632e-01 -7.940609632e-01 4.02 -7.733901178e-01 -7.733901178e-01 4.04 -7.532047716e-01 -7.532047716e-01 4.06 -7.334967673e-01 -7.334967673e-01 4.08 -7.142578639e-01 -7.142578639e-01 4.10 -6.954797569e-01 -6.954797569e-01 4.12 -6.771540967e-01 -6.771540967e-01 4.14 -6.592725060e-01 -6.592725060e-01 4.16 -6.418265949e-01 -6.418265949e-01 4.18 -6.248079759e-01 -6.248079759e-01 4.20 -6.082082768e-01 -6.082082768e-01 4.22 -5.920191528e-01 -5.920191528e-01 4.24 -5.762322975e-01 -5.762322975e-01 4.26 -5.608394532e-01 -5.608394532e-01 4.28 -5.458324195e-01 -5.458324195e-01 4.30 -5.312030623e-01 -5.312030623e-01 4.32 -5.169433209e-01 -5.169433209e-01 4.34 -5.030452145e-01 -5.030452145e-01 4.36 -4.895008488e-01 -4.895008488e-01 4.38 -4.763024213e-01 -4.763024213e-01 4.40 -4.634422258e-01 -4.634422258e-01 4.42 -4.509126570e-01 -4.509126570e-01 4.44 -4.387062141e-01 -4.387062141e-01 4.46 -4.268155042e-01 -4.268155042e-01 4.48 -4.152332449e-01 -4.152332449e-01 4.50 -4.039522671e-01 -4.039522671e-01 4.52 -3.929655168e-01 -3.929655168e-01 4.54 -3.822660567e-01 -3.822660567e-01 4.56 -3.718470677e-01 -3.718470677e-01 4.58 -3.617018501e-01 -3.617018501e-01 4.60 -3.518238241e-01 -3.518238241e-01 4.62 -3.422065304e-01 -3.422065304e-01 4.64 -3.328436306e-01 -3.328436306e-01 4.66 -3.237289072e-01 -3.237289072e-01 4.68 -3.148562635e-01 -3.148562635e-01 4.70 -3.062197234e-01 -3.062197234e-01 4.72 -2.978134305e-01 -2.978134305e-01 4.74 -2.896316481e-01 -2.896316481e-01 4.76 -2.816687579e-01 -2.816687579e-01 4.78 -2.739192594e-01 -2.739192594e-01 4.80 -2.663777687e-01 -2.663777687e-01 4.82 -2.590390178e-01 -2.590390178e-01 4.84 -2.518978529e-01 -2.518978529e-01 4.86 -2.449492332e-01 -2.449492332e-01 4.88 -2.381882299e-01 -2.381882299e-01 4.90 -2.316100245e-01 -2.316100245e-01 4.92 -2.252099074e-01 -2.252099074e-01 4.94 -2.189832762e-01 -2.189832762e-01 4.96 -2.129256344e-01 -2.129256344e-01 4.98 -2.070325895e-01 -2.070325895e-01 5.00 -2.012998517e-01 -2.012998517e-01 5.02 -1.957232320e-01 -1.957232320e-01 5.04 -1.902986403e-01 -1.902986403e-01 5.06 -1.850220842e-01 -1.850220842e-01 5.08 -1.798896670e-01 -1.798896670e-01 5.10 -1.748975858e-01 -1.748975858e-01 5.12 -1.700421300e-01 -1.700421300e-01 5.14 -1.653196796e-01 -1.653196796e-01 5.16 -1.607267032e-01 -1.607267032e-01 5.18 -1.562597565e-01 -1.562597565e-01 5.20 -1.519154803e-01 -1.519154803e-01 5.22 -1.476905993e-01 -1.476905993e-01 5.24 -1.435819196e-01 -1.435819196e-01 5.26 -1.395863278e-01 -1.395863278e-01 5.28 -1.357007887e-01 -1.357007887e-01 5.30 -1.319223441e-01 -1.319223441e-01 5.32 -1.282481105e-01 -1.282481105e-01 5.34 -1.246752783e-01 -1.246752783e-01 5.36 -1.212011096e-01 -1.212011096e-01 5.38 -1.178229366e-01 -1.178229366e-01 5.40 -1.145381603e-01 -1.145381603e-01 5.42 -1.113442487e-01 -1.113442487e-01 5.44 -1.082387357e-01 -1.082387357e-01 5.46 -8.524434240e-02 -8.524434240e-02 5.48 -8.293656608e-02 -8.293656608e-02 5.50 -8.069048765e-02 -8.069048765e-02 5.52 -7.850450033e-02 -7.850450033e-02 5.54 -7.637703681e-02 -7.637703681e-02 5.56 -7.430656841e-02 -7.430656841e-02 5.58 -7.229160428e-02 -7.229160428e-02 5.60 -7.033069056e-02 -7.033069056e-02 5.62 -6.842240961e-02 -6.842240961e-02 5.64 -6.656537917e-02 -6.656537917e-02 5.66 -6.475825159e-02 -6.475825159e-02 5.68 -6.299971311e-02 -6.299971311e-02 5.70 -6.128848300e-02 -6.128848300e-02 5.72 -5.962331292e-02 -5.962331292e-02 5.74 -5.800298608e-02 -5.800298608e-02 5.76 -5.642631662e-02 -5.642631662e-02 5.78 -5.489214879e-02 -5.489214879e-02 5.80 -5.339935635e-02 -5.339935635e-02 5.82 -5.194684180e-02 -5.194684180e-02 5.84 -5.053353576e-02 -5.053353576e-02 5.86 -4.915839629e-02 -4.915839629e-02 5.88 -4.782040822e-02 -4.782040822e-02 5.90 -4.651858255e-02 -4.651858255e-02 5.92 -4.525195578e-02 -4.525195578e-02 5.94 -4.401958933e-02 -4.401958933e-02 5.96 -4.282056894e-02 -4.282056894e-02 5.98 -4.165400404e-02 -4.165400404e-02 6.00 -4.051902721e-02 -4.051902721e-02