# 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 = CoMn # 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 2.444904172e+02 2.444904172e+02 nan nan 0.86 nan nan nan nan 2.219126644e+02 2.219126644e+02 nan nan 0.88 nan nan nan nan 2.016689850e+02 2.016689850e+02 nan nan 0.90 nan nan nan nan 1.834756833e+02 1.834756833e+02 nan nan 0.92 nan nan nan nan 1.669463307e+02 1.669463307e+02 nan nan 0.94 nan nan nan nan 1.521459958e+02 1.521459958e+02 nan nan 0.96 2.406457759e+02 2.406457759e+02 nan nan 1.386927837e+02 1.386927837e+02 nan nan 0.98 2.202209694e+02 2.202209694e+02 nan nan 1.263730750e+02 1.263730750e+02 nan nan 1.00 2.017598009e+02 2.017598009e+02 nan nan 1.153875423e+02 1.153875423e+02 nan nan 1.02 1.846078469e+02 1.846078469e+02 nan nan 1.052800224e+02 1.052800224e+02 nan nan 1.04 1.692378386e+02 1.692378386e+02 nan nan 9.603126650e+01 9.603126650e+01 nan nan 1.06 1.550249432e+02 1.550249432e+02 nan nan 8.773331897e+01 8.773331897e+01 nan nan 1.08 1.420874589e+02 1.420874589e+02 2.059649173e+02 2.059649173e+02 8.027840446e+01 8.027840446e+01 2.221585676e+02 2.221585676e+02 1.10 1.303949097e+02 1.303949097e+02 1.897704388e+02 1.897704388e+02 7.338394628e+01 7.338394628e+01 2.047971418e+02 2.047971418e+02 1.12 1.194528481e+02 1.194528481e+02 1.746668368e+02 1.746668368e+02 6.706157042e+01 6.706157042e+01 1.887830089e+02 1.887830089e+02 1.14 1.094024068e+02 1.094024068e+02 1.607265596e+02 1.607265596e+02 6.122481196e+01 6.122481196e+01 1.740857654e+02 1.740857654e+02 1.16 1.003338301e+02 1.003338301e+02 1.480463379e+02 1.480463379e+02 5.596470941e+01 5.596470941e+01 1.605463285e+02 1.605463285e+02 1.18 9.208072309e+01 9.208072309e+01 1.363138216e+02 1.363138216e+02 5.115935056e+01 5.115935056e+01 1.481199997e+02 1.481199997e+02 1.20 8.429890601e+01 8.429890601e+01 1.258002362e+02 1.258002362e+02 4.680869514e+01 4.680869514e+01 1.365715095e+02 1.365715095e+02 1.22 7.725136588e+01 7.725136588e+01 1.158214230e+02 1.158214230e+02 4.279265530e+01 4.279265530e+01 1.260530164e+02 1.260530164e+02 1.24 7.089830993e+01 7.089830993e+01 1.065519486e+02 1.065519486e+02 3.904328595e+01 3.904328595e+01 1.162190251e+02 1.162190251e+02 1.26 6.489736415e+01 6.489736415e+01 9.816943048e+01 9.816943048e+01 3.564309888e+01 3.564309888e+01 1.072277313e+02 1.072277313e+02 1.28 5.935436504e+01 5.935436504e+01 9.033692309e+01 9.033692309e+01 3.254613301e+01 3.254613301e+01 9.886494443e+01 9.886494443e+01 1.30 5.429623170e+01 5.429623170e+01 8.313964143e+01 8.313964143e+01 2.975999468e+01 2.975999468e+01 9.108462867e+01 9.108462867e+01 1.32 4.957639250e+01 4.957639250e+01 7.639172959e+01 7.639172959e+01 2.710292415e+01 2.710292415e+01 8.391741507e+01 8.391741507e+01 1.34 4.523600529e+01 4.523600529e+01 7.036214247e+01 7.036214247e+01 2.470250702e+01 2.470250702e+01 7.726844299e+01 7.726844299e+01 1.36 4.130899102e+01 4.130899102e+01 6.458262503e+01 6.458262503e+01 2.246555894e+01 2.246555894e+01 7.114213004e+01 7.114213004e+01 1.38 3.776771560e+01 3.776771560e+01 5.925986911e+01 5.925986911e+01 2.043051934e+01 2.043051934e+01 6.549514943e+01 6.549514943e+01 1.40 3.436262521e+01 3.436262521e+01 5.432365289e+01 5.432365289e+01 1.854633542e+01 1.854633542e+01 6.026775202e+01 6.026775202e+01 1.42 3.129728863e+01 3.129728863e+01 4.976068500e+01 4.976068500e+01 1.681727017e+01 1.681727017e+01 5.542699989e+01 5.542699989e+01 1.44 2.840499632e+01 2.840499632e+01 4.573550547e+01 4.573550547e+01 1.532705720e+01 1.532705720e+01 5.086274801e+01 5.086274801e+01 1.46 2.580933667e+01 2.580933667e+01 4.195650463e+01 4.195650463e+01 1.400376388e+01 1.400376388e+01 4.667118229e+01 4.667118229e+01 1.48 2.335116468e+01 2.335116468e+01 3.831171301e+01 3.831171301e+01 1.263974602e+01 1.263974602e+01 4.285867615e+01 4.285867615e+01 1.50 2.118916472e+01 2.118916472e+01 3.494136120e+01 3.494136120e+01 1.138788046e+01 1.138788046e+01 3.923246506e+01 3.923246506e+01 1.52 1.909542888e+01 1.909542888e+01 3.189493811e+01 3.189493811e+01 1.023883239e+01 1.023883239e+01 3.592694716e+01 3.592694716e+01 1.54 1.730447359e+01 1.730447359e+01 2.914047568e+01 2.914047568e+01 9.252005336e+00 9.252005336e+00 3.280824759e+01 3.280824759e+01 1.56 1.551701299e+01 1.551701299e+01 2.645307008e+01 2.645307008e+01 8.276581993e+00 8.276581993e+00 2.992645090e+01 2.992645090e+01 1.58 1.389067958e+01 1.389067958e+01 2.399203557e+01 2.399203557e+01 7.405182027e+00 7.405182027e+00 2.729746186e+01 2.729746186e+01 1.60 1.237676921e+01 1.237676921e+01 2.169223046e+01 2.169223046e+01 6.581284430e+00 6.581284430e+00 2.483537254e+01 2.483537254e+01 1.62 1.098484986e+01 1.098484986e+01 1.956618930e+01 1.956618930e+01 5.825395588e+00 5.825395588e+00 2.251000273e+01 2.251000273e+01 1.64 9.705451713e+00 9.705451713e+00 1.760104625e+01 1.760104625e+01 5.132027551e+00 5.132027551e+00 2.035726735e+01 2.035726735e+01 1.66 8.529873960e+00 8.529873960e+00 1.585266659e+01 1.585266659e+01 4.496159524e+00 4.496159524e+00 1.836457776e+01 1.836457776e+01 1.68 7.450116933e+00 7.450116933e+00 1.423484010e+01 1.423484010e+01 3.946649342e+00 3.946649342e+00 1.656631176e+01 1.656631176e+01 1.70 6.593611365e+00 6.593611365e+00 1.267220881e+01 1.267220881e+01 3.409079760e+00 3.409079760e+00 1.494628699e+01 1.494628699e+01 1.72 5.670859036e+00 5.670859036e+00 1.122954426e+01 1.122954426e+01 2.916665523e+00 2.916665523e+00 1.335462963e+01 1.335462963e+01 1.74 4.824828875e+00 4.824828875e+00 9.966185148e+00 9.966185148e+00 2.533900384e+00 2.533900384e+00 1.192830375e+01 1.192830375e+01 1.76 4.117907167e+00 4.117907167e+00 8.731446117e+00 8.731446117e+00 2.114886816e+00 2.114886816e+00 1.056357058e+01 1.056357058e+01 1.78 3.401733920e+00 3.401733920e+00 7.593033067e+00 7.593033067e+00 1.731779961e+00 1.731779961e+00 9.394956496e+00 9.394956496e+00 1.80 2.746600432e+00 2.746600432e+00 6.543983885e+00 6.543983885e+00 1.381754414e+00 1.381754414e+00 8.221817960e+00 8.221817960e+00 1.82 2.172104825e+00 2.172104825e+00 5.668836303e+00 5.668836303e+00 1.062213287e+00 1.062213287e+00 7.162412447e+00 7.162412447e+00 1.84 1.623221198e+00 1.623221198e+00 4.771414862e+00 4.771414862e+00 7.707684753e-01 7.707684753e-01 6.161405926e+00 6.161405926e+00 1.86 1.122633601e+00 1.122633601e+00 4.081312710e+00 4.081312710e+00 5.728012477e-01 5.728012477e-01 5.284868122e+00 5.284868122e+00 1.88 6.666537859e-01 6.666537859e-01 3.310944408e+00 3.310944408e+00 3.250936209e-01 3.250936209e-01 4.430502117e+00 4.430502117e+00 1.90 3.243940628e-01 3.243940628e-01 2.603802406e+00 2.603802406e+00 9.993757253e-02 9.993757253e-02 3.689511026e+00 3.689511026e+00 1.92 -5.863372547e-02 -5.863372547e-02 1.955323057e+00 1.955323057e+00 -1.044307069e-01 -1.044307069e-01 2.986458154e+00 2.986458154e+00 1.94 -4.059775575e-01 -4.059775575e-01 1.396135463e+00 1.396135463e+00 -2.547737665e-01 -2.547737665e-01 2.315816928e+00 2.315816928e+00 1.96 -7.203772212e-01 -7.203772212e-01 8.495992146e-01 8.495992146e-01 -4.253013421e-01 -4.253013421e-01 1.723251318e+00 1.723251318e+00 1.98 -1.004366810e+00 -1.004366810e+00 3.501699819e-01 3.501699819e-01 -5.792920538e-01 -5.792920538e-01 1.156615270e+00 1.156615270e+00 2.00 -1.189461639e+00 -1.189461639e+00 -1.055612347e-01 -1.055612347e-01 -7.180424305e-01 -7.180424305e-01 6.375641809e-01 6.375641809e-01 2.02 -1.425370494e+00 -1.425370494e+00 -5.207609071e-01 -5.207609071e-01 -8.427488987e-01 -8.427488987e-01 1.627195743e-01 1.627195743e-01 2.04 -1.636904682e+00 -1.636904682e+00 -8.983710481e-01 -8.983710481e-01 -9.545158681e-01 -9.545158681e-01 -1.884680573e-01 -1.884680573e-01 2.06 -1.825963187e+00 -1.825963187e+00 -1.241125826e+00 -1.241125826e+00 -1.054363119e+00 -1.054363119e+00 -5.908302649e-01 -5.908302649e-01 2.08 -1.994304057e+00 -1.994304057e+00 -1.551566849e+00 -1.551566849e+00 -1.143232561e+00 -1.143232561e+00 -9.572247233e-01 -9.572247233e-01 2.10 -2.094004026e+00 -2.094004026e+00 -1.767383134e+00 -1.767383134e+00 -1.191454614e+00 -1.191454614e+00 -1.277526111e+00 -1.277526111e+00 2.12 -2.191544307e+00 -2.191544307e+00 -1.995536524e+00 -1.995536524e+00 -1.246823802e+00 -1.246823802e+00 -1.569918013e+00 -1.569918013e+00 2.14 -2.313630959e+00 -2.313630959e+00 -2.229609485e+00 -2.229609485e+00 -1.311244446e+00 -1.311244446e+00 -1.844920589e+00 -1.844920589e+00 2.16 -2.420304975e+00 -2.420304975e+00 -2.439320892e+00 -2.439320892e+00 -1.367515203e+00 -1.367515203e+00 -2.081530099e+00 -2.081530099e+00 2.18 -2.512804771e+00 -2.512804771e+00 -2.626483219e+00 -2.626483219e+00 -1.416293218e+00 -1.416293218e+00 -2.282667132e+00 -2.282667132e+00 2.20 -2.592277412e+00 -2.592277412e+00 -2.792782662e+00 -2.792782662e+00 -1.458186226e+00 -1.458186226e+00 -2.485489018e+00 -2.485489018e+00 2.22 -2.659785381e+00 -2.659785381e+00 -2.939788088e+00 -2.939788088e+00 -1.493756345e+00 -1.493756345e+00 -2.666732409e+00 -2.666732409e+00 2.24 -2.681433893e+00 -2.681433893e+00 -2.999201451e+00 -2.999201451e+00 -1.453765709e+00 -1.453765709e+00 -2.827984857e+00 -2.827984857e+00 2.26 -2.730494483e+00 -2.730494483e+00 -3.117101092e+00 -3.117101092e+00 -1.483415319e+00 -1.483415319e+00 -2.970725336e+00 -2.970725336e+00 2.28 -2.770136974e+00 -2.770136974e+00 -3.219402133e+00 -3.219402133e+00 -1.507801293e+00 -1.507801293e+00 -3.096331770e+00 -3.096331770e+00 2.30 -2.801157627e+00 -2.801157627e+00 -3.307309499e+00 -3.307309499e+00 -1.527364036e+00 -1.527364036e+00 -3.206088004e+00 -3.206088004e+00 2.32 -2.824293874e+00 -2.824293874e+00 -3.381944388e+00 -3.381944388e+00 -1.542511117e+00 -1.542511117e+00 -3.249053546e+00 -3.249053546e+00 2.34 -2.840228594e+00 -2.840228594e+00 -3.444350052e+00 -3.444350052e+00 -1.553619716e+00 -1.553619716e+00 -3.334373951e+00 -3.334373951e+00 2.36 -2.849594069e+00 -2.849594069e+00 -3.495497183e+00 -3.495497183e+00 -1.561038882e+00 -1.561038882e+00 -3.361057279e+00 -3.361057279e+00 2.38 -2.852975647e+00 -2.852975647e+00 -3.536288894e+00 -3.536288894e+00 -1.565091622e+00 -1.565091622e+00 -3.425082743e+00 -3.425082743e+00 2.40 -2.850915132e+00 -2.850915132e+00 -3.567565359e+00 -3.567565359e+00 -1.566076821e+00 -1.566076821e+00 -3.478013268e+00 -3.478013268e+00 2.42 -2.843913921e+00 -2.843913921e+00 -3.590108111e+00 -3.590108111e+00 -1.564271017e+00 -1.564271017e+00 -3.474358619e+00 -3.474358619e+00 2.44 -2.832435916e+00 -2.832435916e+00 -3.531396547e+00 -3.531396547e+00 -1.559930049e+00 -1.559930049e+00 -3.510865709e+00 -3.510865709e+00 2.46 -2.816910216e+00 -2.816910216e+00 -3.543605742e+00 -3.543605742e+00 -1.553290565e+00 -1.553290565e+00 -3.538500099e+00 -3.538500099e+00 2.48 -2.797733614e+00 -2.797733614e+00 -3.548772016e+00 -3.548772016e+00 -1.544571431e+00 -1.544571431e+00 -3.557982274e+00 -3.557982274e+00 2.50 -2.775272916e+00 -2.775272916e+00 -3.547502657e+00 -3.547502657e+00 -1.533975022e+00 -1.533975022e+00 -3.569983162e+00 -3.569983162e+00 2.52 -2.749867086e+00 -2.749867086e+00 -3.471734280e+00 -3.471734280e+00 -1.487374477e+00 -1.487374477e+00 -3.575127444e+00 -3.575127444e+00 2.54 -2.721829238e+00 -2.721829238e+00 -3.463820165e+00 -3.463820165e+00 -1.475857035e+00 -1.475857035e+00 -3.549603671e+00 -3.549603671e+00 2.56 -2.691448488e+00 -2.691448488e+00 -3.450743312e+00 -3.450743312e+00 -1.462830245e+00 -1.462830245e+00 -3.544342203e+00 -3.544342203e+00 2.58 -2.587688108e+00 -2.587688108e+00 -3.432976442e+00 -3.432976442e+00 -1.448451661e+00 -1.448451661e+00 -3.533745463e+00 -3.533745463e+00 2.60 -2.558031421e+00 -2.558031421e+00 -3.410958609e+00 -3.410958609e+00 -1.432866866e+00 -1.432866866e+00 -3.518288740e+00 -3.518288740e+00 2.62 -2.526472164e+00 -2.526472164e+00 -3.385097455e+00 -3.385097455e+00 -1.416210324e+00 -1.416210324e+00 -3.498414086e+00 -3.498414086e+00 2.64 -2.493238660e+00 -2.493238660e+00 -3.355771321e+00 -3.355771321e+00 -1.398606182e+00 -1.398606182e+00 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