# 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 = CrMn # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan 2.756815748e+02 2.756815748e+02 nan nan 0.86 nan nan nan nan 2.502915613e+02 2.502915613e+02 nan nan 0.88 nan nan nan nan 2.275177663e+02 2.275177663e+02 nan nan 0.90 nan nan nan nan 2.070437527e+02 2.070437527e+02 nan nan 0.92 nan nan nan nan 1.884621688e+02 1.884621688e+02 nan nan 0.94 nan nan nan nan 1.718029940e+02 1.718029940e+02 nan nan 0.96 2.714295839e+02 2.714295839e+02 nan nan 1.566712873e+02 1.566712873e+02 nan nan 0.98 2.484559626e+02 2.484559626e+02 nan nan 1.428360530e+02 1.428360530e+02 nan nan 1.00 2.276708457e+02 2.276708457e+02 nan nan 1.304687385e+02 1.304687385e+02 nan nan 1.02 2.084144349e+02 2.084144349e+02 nan nan 1.191120585e+02 1.191120585e+02 nan nan 1.04 1.911141252e+02 1.911141252e+02 nan nan 1.087300684e+02 1.087300684e+02 nan nan 1.06 1.751461821e+02 1.751461821e+02 nan nan 9.939655064e+01 9.939655064e+01 nan nan 1.08 1.606033694e+02 1.606033694e+02 2.324966208e+02 2.324966208e+02 9.099334063e+01 9.099334063e+01 2.508066375e+02 2.508066375e+02 1.10 1.474366373e+02 1.474366373e+02 2.142654669e+02 2.142654669e+02 8.323859074e+01 8.323859074e+01 2.312785036e+02 2.312785036e+02 1.12 1.351542628e+02 1.351542628e+02 1.973005545e+02 1.973005545e+02 7.613174247e+01 7.613174247e+01 2.132762423e+02 2.132762423e+02 1.14 1.238770933e+02 1.238770933e+02 1.816526429e+02 1.816526429e+02 6.958093471e+01 6.958093471e+01 1.967493399e+02 1.967493399e+02 1.16 1.136777912e+02 1.136777912e+02 1.673968583e+02 1.673968583e+02 6.366512989e+01 6.366512989e+01 1.815266269e+02 1.815266269e+02 1.18 1.043852011e+02 1.043852011e+02 1.542163502e+02 1.542163502e+02 5.825913669e+01 5.825913669e+01 1.675479309e+02 1.675479309e+02 1.20 9.565651477e+01 9.565651477e+01 1.423581003e+02 1.423581003e+02 5.335690053e+01 5.335690053e+01 1.545724159e+02 1.545724159e+02 1.22 8.773537100e+01 8.773537100e+01 1.311508081e+02 1.311508081e+02 4.883601080e+01 4.883601080e+01 1.427323728e+02 1.427323728e+02 1.24 8.057363164e+01 8.057363164e+01 1.207513235e+02 1.207513235e+02 4.462634352e+01 4.462634352e+01 1.316835879e+02 1.316835879e+02 1.26 7.383552325e+01 7.383552325e+01 1.113196174e+02 1.113196174e+02 4.080224835e+01 4.080224835e+01 1.215668500e+02 1.215668500e+02 1.28 6.761488771e+01 6.761488771e+01 1.025220801e+02 1.025220801e+02 3.731495691e+01 3.731495691e+01 1.121661978e+02 1.121661978e+02 1.30 6.193090752e+01 6.193090752e+01 9.443159729e+01 9.443159729e+01 3.416742367e+01 3.416742367e+01 1.034282427e+02 1.034282427e+02 1.32 5.663717144e+01 5.663717144e+01 8.686232654e+01 8.686232654e+01 3.118201850e+01 3.118201850e+01 9.537392922e+01 9.537392922e+01 1.34 5.176764756e+01 5.176764756e+01 8.006495654e+01 8.006495654e+01 2.847791381e+01 2.847791381e+01 8.790480761e+01 8.790480761e+01 1.36 4.734976086e+01 4.734976086e+01 7.358336347e+01 7.358336347e+01 2.596241797e+01 2.596241797e+01 8.101776104e+01 8.101776104e+01 1.38 4.335309697e+01 4.335309697e+01 6.761004570e+01 6.761004570e+01 2.366983460e+01 2.366983460e+01 7.466501867e+01 7.466501867e+01 1.40 3.953289409e+01 3.953289409e+01 6.207212739e+01 6.207212739e+01 2.154875041e+01 2.154875041e+01 6.878385908e+01 6.878385908e+01 1.42 3.608132272e+01 3.608132272e+01 5.695178595e+01 5.695178595e+01 1.960100313e+01 1.960100313e+01 6.333671256e+01 6.333671256e+01 1.44 3.283510705e+01 3.283510705e+01 5.240273778e+01 5.240273778e+01 1.790512957e+01 1.790512957e+01 5.821314784e+01 5.821314784e+01 1.46 2.990984867e+01 2.990984867e+01 4.813962816e+01 4.813962816e+01 1.638953511e+01 1.638953511e+01 5.350114928e+01 5.350114928e+01 1.48 2.714951264e+01 2.714951264e+01 4.405202093e+01 4.405202093e+01 1.485377931e+01 1.485377931e+01 4.920285819e+01 4.920285819e+01 1.50 2.470384643e+01 2.470384643e+01 4.027097150e+01 4.027097150e+01 1.344307426e+01 1.344307426e+01 4.512928724e+01 4.512928724e+01 1.52 2.235199957e+01 2.235199957e+01 3.684060690e+01 3.684060690e+01 1.214705053e+01 1.214705053e+01 4.140631008e+01 4.140631008e+01 1.54 2.031712640e+01 2.031712640e+01 3.372773127e+01 3.372773127e+01 1.102161537e+01 1.102161537e+01 3.790185539e+01 3.790185539e+01 1.56 1.830905502e+01 1.830905502e+01 3.071281318e+01 3.071281318e+01 9.920394719e+00 9.920394719e+00 3.466144605e+01 3.466144605e+01 1.58 1.647776730e+01 1.647776730e+01 2.794675814e+01 2.794675814e+01 8.931464887e+00 8.931464887e+00 3.169757013e+01 3.169757013e+01 1.60 1.477483533e+01 1.477483533e+01 2.536473830e+01 2.536473830e+01 7.999632870e+00 7.999632870e+00 2.892502513e+01 2.892502513e+01 1.62 1.320786766e+01 1.320786766e+01 2.297662079e+01 2.297662079e+01 7.143676162e+00 7.143676162e+00 2.631289712e+01 2.631289712e+01 1.64 1.176633010e+01 1.176633010e+01 2.076806571e+01 2.076806571e+01 6.357501702e+00 6.357501702e+00 2.389350006e+01 2.389350006e+01 1.66 1.044054286e+01 1.044054286e+01 1.879072926e+01 1.879072926e+01 5.635533763e+00 5.635533763e+00 2.165279950e+01 2.165279950e+01 1.68 9.221605399e+00 9.221605399e+00 1.696053352e+01 1.696053352e+01 5.004858629e+00 5.004858629e+00 1.962211683e+01 1.962211683e+01 1.70 8.230440910e+00 8.230440910e+00 1.520311736e+01 1.520311736e+01 4.393208182e+00 4.393208182e+00 1.778408549e+01 1.778408549e+01 1.72 7.188560349e+00 7.188560349e+00 1.357946026e+01 1.357946026e+01 3.832006852e+00 3.832006852e+00 1.599312319e+01 1.599312319e+01 1.74 6.232106072e+00 6.232106072e+00 1.214505107e+01 1.214505107e+01 3.382493394e+00 3.382493394e+00 1.437964580e+01 1.437964580e+01 1.76 5.420254481e+00 5.420254481e+00 1.075421359e+01 1.075421359e+01 2.904331672e+00 2.904331672e+00 1.284246764e+01 1.284246764e+01 1.78 4.609348970e+00 4.609348970e+00 9.470728311e+00 9.470728311e+00 2.466264215e+00 2.466264215e+00 1.150951564e+01 1.150951564e+01 1.80 3.866378340e+00 3.866378340e+00 8.286848849e+00 8.286848849e+00 2.065157763e+00 2.065157763e+00 1.018730068e+01 1.018730068e+01 1.82 3.209430048e+00 3.209430048e+00 7.282630546e+00 7.282630546e+00 1.698131670e+00 1.698131670e+00 8.988283615e+00 8.988283615e+00 1.84 2.585079010e+00 2.585079010e+00 6.268990808e+00 6.268990808e+00 1.362536129e+00 1.362536129e+00 7.858210670e+00 7.858210670e+00 1.86 2.014501590e+00 2.014501590e+00 5.465787893e+00 5.465787893e+00 1.120968027e+00 1.120968027e+00 6.859614844e+00 6.859614844e+00 1.88 1.493608271e+00 1.493608271e+00 4.595366015e+00 4.595366015e+00 8.352403405e-01 8.352403405e-01 5.893579095e+00 5.893579095e+00 1.90 1.088464098e+00 1.088464098e+00 3.795239904e+00 3.795239904e+00 5.747183850e-01 5.747183850e-01 5.046949737e+00 5.046949737e+00 1.92 6.497610920e-01 6.497610920e-01 3.060348889e+00 3.060348889e+00 3.374483082e-01 3.374483082e-01 4.246276304e+00 4.246276304e+00 1.94 2.507775749e-01 2.507775749e-01 2.419405160e+00 2.419405160e+00 1.550362356e-01 1.550362356e-01 3.485787347e+00 3.485787347e+00 1.96 -1.115196581e-01 -1.115196581e-01 1.798344735e+00 1.798344735e+00 -4.388541641e-02 -4.388541641e-02 2.808643546e+00 2.808643546e+00 1.98 -4.399362760e-01 -4.399362760e-01 1.229671282e+00 1.229671282e+00 -2.242999788e-01 -2.242999788e-01 2.164266230e+00 2.164266230e+00 2.00 -6.691841509e-01 -6.691841509e-01 7.096065474e-01 7.096065474e-01 -3.876430648e-01 -3.876430648e-01 1.572879517e+00 1.572879517e+00 2.02 -9.431317245e-01 -9.431317245e-01 2.346409794e-01 2.346409794e-01 -5.352399215e-01 -5.352399215e-01 1.030733991e+00 1.030733991e+00 2.04 -1.189943922e+00 -1.189943922e+00 -1.984862771e-01 -1.984862771e-01 -6.683143246e-01 -6.683143246e-01 6.137084104e-01 6.137084104e-01 2.06 -1.411719229e+00 -1.411719229e+00 -5.928057740e-01 -5.928057740e-01 -7.879967086e-01 -7.879967086e-01 1.532979541e-01 1.532979541e-01 2.08 -1.610400547e+00 -1.610400547e+00 -9.511346876e-01 -9.511346876e-01 -8.953316010e-01 -8.953316010e-01 -2.670854307e-01 -2.670854307e-01 2.10 -1.740063474e+00 -1.740063474e+00 -1.213803597e+00 -1.213803597e+00 -9.618709938e-01 -9.618709938e-01 -6.380628468e-01 -6.380628468e-01 2.12 -1.865022286e+00 -1.865022286e+00 -1.484224106e+00 -1.484224106e+00 -1.033802332e+00 -1.033802332e+00 -9.775133108e-01 -9.775133108e-01 2.14 -2.011115013e+00 -2.011115013e+00 -1.756425234e+00 -1.756425234e+00 -1.113025527e+00 -1.113025527e+00 -1.295870524e+00 -1.295870524e+00 2.16 -2.140042005e+00 -2.140042005e+00 -2.001520543e+00 -2.001520543e+00 -1.183075909e+00 -1.183075909e+00 -1.573263848e+00 -1.573263848e+00 2.18 -2.253168044e+00 -2.253168044e+00 -2.221514170e+00 -2.221514170e+00 -1.244681257e+00 -1.244681257e+00 -1.812792486e+00 -1.812792486e+00 2.20 -2.351757399e+00 -2.351757399e+00 -2.418270654e+00 -2.418270654e+00 -1.298514935e+00 -1.298514935e+00 -2.050336908e+00 -2.050336908e+00 2.22 -2.436981269e+00 -2.436981269e+00 -2.593524829e+00 -2.593524829e+00 -1.345200060e+00 -1.345200060e+00 -2.263838023e+00 -2.263838023e+00 2.24 -2.476501847e+00 -2.476501847e+00 -2.682045346e+00 -2.682045346e+00 -1.318467706e+00 -1.318467706e+00 -2.455052423e+00 -2.455052423e+00 2.26 -2.540690768e+00 -2.540690768e+00 -2.824067354e+00 -2.824067354e+00 -1.357584639e+00 -1.357584639e+00 -2.625616625e+00 -2.625616625e+00 2.28 -2.594346017e+00 -2.594346017e+00 -2.948722434e+00 -2.948722434e+00 -1.390778653e+00 -1.390778653e+00 -2.777055393e+00 -2.777055393e+00 2.30 -2.638344342e+00 -2.638344342e+00 -3.057339869e+00 -3.057339869e+00 -1.418535555e+00 -1.418535555e+00 -2.910789454e+00 -2.910789454e+00 2.32 -2.673497872e+00 -2.673497872e+00 -3.151156604e+00 -3.151156604e+00 -1.441305142e+00 -1.441305142e+00 -2.977979321e+00 -2.977979321e+00 2.34 -2.700558820e+00 -2.700558820e+00 -3.231323642e+00 -3.231323642e+00 -1.459503882e+00 -1.459503882e+00 -3.083837897e+00 -3.083837897e+00 2.36 -2.720223828e+00 -2.720223828e+00 -3.298911981e+00 -3.298911981e+00 -1.473517390e+00 -1.473517390e+00 -3.131488918e+00 -3.131488918e+00 2.38 -2.733137997e+00 -2.733137997e+00 -3.354918114e+00 -3.354918114e+00 -1.483702702e+00 -1.483702702e+00 -3.213069122e+00 -3.213069122e+00 2.40 -2.739898605e+00 -2.739898605e+00 -3.400269146e+00 -3.400269146e+00 -1.490390390e+00 -1.490390390e+00 -3.282266435e+00 -3.282266435e+00 2.42 -2.741058558e+00 -2.741058558e+00 -3.435827546e+00 -3.435827546e+00 -1.493886496e+00 -1.493886496e+00 -3.295411183e+00 -3.295411183e+00 2.44 -2.737129590e+00 -2.737129590e+00 -3.392166780e+00 -3.392166780e+00 -1.494474335e+00 -1.494474335e+00 -3.345783942e+00 -3.345783942e+00 2.46 -2.728585213e+00 -2.728585213e+00 -3.415341299e+00 -3.415341299e+00 -1.492416152e+00 -1.492416152e+00 -3.386250940e+00 -3.386250940e+00 2.48 -2.715863470e+00 -2.715863470e+00 -3.430631476e+00 -3.430631476e+00 -1.487954657e+00 -1.487954657e+00 -3.417605161e+00 -3.417605161e+00 2.50 -2.699369470e+00 -2.699369470e+00 -3.438705201e+00 -3.438705201e+00 -1.481314444e+00 -1.481314444e+00 -3.440585104e+00 -3.440585104e+00 2.52 -2.679477753e+00 -2.679477753e+00 -3.374127007e+00 -3.374127007e+00 -1.439675115e+00 -1.439675115e+00 -3.455878425e+00 -3.455878425e+00 2.54 -2.656534474e+00 -2.656534474e+00 -3.374033563e+00 -3.374033563e+00 -1.431508662e+00 -1.431508662e+00 -3.440737917e+00 -3.440737917e+00 2.56 -2.630859432e+00 -2.630859432e+00 -3.368159567e+00 -3.368159567e+00 -1.421592051e+00 -1.421592051e+00 -3.444088427e+00 -3.444088427e+00 2.58 -2.534404035e+00 -2.534404035e+00 -3.357023032e+00 -3.357023032e+00 -1.410099533e+00 -1.410099533e+00 -3.441440076e+00 -3.441440076e+00 2.60 -2.508615617e+00 -2.508615617e+00 -3.341105132e+00 -3.341105132e+00 -1.397192247e+00 -1.397192247e+00 -3.433315597e+00 -3.433315597e+00 2.62 -2.480621290e+00 -2.480621290e+00 -3.320852680e+00 -3.320852680e+00 -1.383019156e+00 -1.383019156e+00 -3.420201245e+00 -3.420201245e+00 2.64 -2.450672042e+00 -2.450672042e+00 -3.296680436e+00 -3.296680436e+00 -1.367717913e+00 -1.367717913e+00 -3.402549216e+00 -3.402549216e+00 2.66 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