# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co # implementation = 2025--Sharifi-H--Cr-Ni-Co--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 3.452422968e+02 3.452422968e+02 1.00 3.180665455e+02 3.180665455e+02 1.02 2.928748944e+02 2.928748944e+02 1.04 2.695541246e+02 2.695541246e+02 1.06 2.479950760e+02 2.479950760e+02 1.08 2.280913133e+02 2.280913133e+02 1.10 2.097386441e+02 2.097386441e+02 1.12 1.928351562e+02 1.928351562e+02 1.14 1.772815447e+02 1.772815447e+02 1.16 1.629813492e+02 1.629813492e+02 1.18 1.499859607e+02 1.499859607e+02 1.20 1.382906008e+02 1.382906008e+02 1.22 1.276835761e+02 1.276835761e+02 1.24 1.179965349e+02 1.179965349e+02 1.26 1.090964609e+02 1.090964609e+02 1.28 1.008782489e+02 1.008782489e+02 1.30 9.325870818e+01 9.325870818e+01 1.32 8.617173701e+01 8.617173701e+01 1.34 7.956447007e+01 7.956447007e+01 1.36 7.339422040e+01 7.339422040e+01 1.38 6.762606891e+01 6.762606891e+01 1.40 6.223098245e+01 6.223098245e+01 1.42 5.718435686e+01 5.718435686e+01 1.44 5.246490169e+01 5.246490169e+01 1.46 4.805379637e+01 4.805379637e+01 1.48 4.393406111e+01 4.393406111e+01 1.50 4.009009642e+01 4.009009642e+01 1.52 3.650734455e+01 3.650734455e+01 1.54 3.317199852e+01 3.317199852e+01 1.56 3.007081633e+01 3.007081633e+01 1.58 2.719104229e+01 2.719104229e+01 1.60 2.452036817e+01 2.452036817e+01 1.62 2.204690431e+01 2.204690431e+01 1.64 1.975907637e+01 1.975907637e+01 1.66 1.764557755e+01 1.764557755e+01 1.68 1.569541339e+01 1.569541339e+01 1.70 1.389794907e+01 1.389794907e+01 1.72 1.224295072e+01 1.224295072e+01 1.74 1.072061978e+01 1.072061978e+01 1.76 9.321619780e+00 9.321619780e+00 1.78 8.037095272e+00 8.037095272e+00 1.80 6.858683250e+00 6.858683250e+00 1.82 5.778518068e+00 5.778518068e+00 1.84 4.789230346e+00 4.789230346e+00 1.86 3.883940639e+00 3.883940639e+00 1.88 3.056248626e+00 3.056248626e+00 1.90 2.300218972e+00 2.300218972e+00 1.92 1.610363923e+00 1.610363923e+00 1.94 9.816233188e-01 9.816233188e-01 1.96 4.093434253e-01 4.093434253e-01 1.98 -1.107456226e-01 -1.107456226e-01 2.00 -5.825644757e-01 -5.825644757e-01 2.02 -1.009778331e+00 -1.009778331e+00 2.04 -1.395985929e+00 -1.395985929e+00 2.06 -1.744545144e+00 -1.744545144e+00 2.08 -2.058530458e+00 -2.058530458e+00 2.10 -2.340758221e+00 -2.340758221e+00 2.12 -2.593809490e+00 -2.593809490e+00 2.14 -2.820050784e+00 -2.820050784e+00 2.16 -3.021652951e+00 -3.021652951e+00 2.18 -3.200608369e+00 -3.200608369e+00 2.20 -3.358746812e+00 -3.358746812e+00 2.22 -3.497749207e+00 -3.497749207e+00 2.24 -3.619160382e+00 -3.619160382e+00 2.26 -3.724400778e+00 -3.724400778e+00 2.28 -3.814777109e+00 -3.814777109e+00 2.30 -3.891492048e+00 -3.891492048e+00 2.32 -3.955653060e+00 -3.955653060e+00 2.34 -4.008280425e+00 -4.008280425e+00 2.36 -4.050314560e+00 -4.050314560e+00 2.38 -4.082628468e+00 -4.082628468e+00 2.40 -4.106221107e+00 -4.106221107e+00 2.42 -4.122214241e+00 -4.122214241e+00 2.44 -4.131596735e+00 -4.131596735e+00 2.46 -4.135225597e+00 -4.135225597e+00 2.48 -4.133842111e+00 -4.133842111e+00 2.50 -4.128086185e+00 -4.128086185e+00 2.52 -4.118509088e+00 -4.118509088e+00 2.54 -4.105584763e+00 -4.105584763e+00 2.56 -4.089719829e+00 -4.089719829e+00 2.58 -4.071262446e+00 -4.071262446e+00 2.60 -4.050510134e+00 -4.050510134e+00 2.62 -4.027716682e+00 -4.027716682e+00 2.64 -4.003098219e+00 -4.003098219e+00 2.66 -3.976838556e+00 -3.976838556e+00 2.68 -3.949093876e+00 -3.949093876e+00 2.70 -3.919996830e+00 -3.919996830e+00 2.72 -3.889660121e+00 -3.889660121e+00 2.74 -3.858179620e+00 -3.858179620e+00 2.76 -3.825637076e+00 -3.825637076e+00 2.78 -3.792102462e+00 -3.792102462e+00 2.80 -3.757635997e+00 -3.757635997e+00 2.82 -3.722289885e+00 -3.722289885e+00 2.84 -3.686109806e+00 -3.686109806e+00 2.86 -3.649136187e+00 -3.649136187e+00 2.88 -3.611405271e+00 -3.611405271e+00 2.90 -3.572950032e+00 -3.572950032e+00 2.92 -3.533800931e+00 -3.533800931e+00 2.94 -3.493986546e+00 -3.493986546e+00 2.96 -3.453534094e+00 -3.453534094e+00 2.98 -3.412469853e+00 -3.412469853e+00 3.00 -3.370819502e+00 -3.370819502e+00 3.02 -3.328608392e+00 -3.328608392e+00 3.04 -3.285861754e+00 -3.285861754e+00 3.06 -3.242604861e+00 -3.242604861e+00 3.08 -3.198863142e+00 -3.198863142e+00 3.10 -3.154662266e+00 -3.154662266e+00 3.12 -3.110028199e+00 -3.110028199e+00 3.14 -3.064987240e+00 -3.064987240e+00 3.16 -3.019566035e+00 -3.019566035e+00 3.18 -2.973791595e+00 -2.973791595e+00 3.20 -2.927691290e+00 -2.927691290e+00 3.22 -2.881292859e+00 -2.881292859e+00 3.24 -2.834624409e+00 -2.834624409e+00 3.26 -2.787714428e+00 -2.787714428e+00 3.28 -2.740591799e+00 -2.740591799e+00 3.30 -2.693285830e+00 -2.693285830e+00 3.32 -2.645826293e+00 -2.645826293e+00 3.34 -2.598243480e+00 -2.598243480e+00 3.36 -2.550568263e+00 -2.550568263e+00 3.38 -2.502832183e+00 -2.502832183e+00 3.40 -2.455067534e+00 -2.455067534e+00 3.42 -2.407307466e+00 -2.407307466e+00 3.44 -2.359586090e+00 -2.359586090e+00 3.46 -2.311938583e+00 -2.311938583e+00 3.48 -2.264401281e+00 -2.264401281e+00 3.50 -2.217011762e+00 -2.217011762e+00 3.52 -2.169808898e+00 -2.169808898e+00 3.54 -2.122832868e+00 -2.122832868e+00 3.56 -2.076125128e+00 -2.076125128e+00 3.58 -2.029728317e+00 -2.029728317e+00 3.60 -1.983686088e+00 -1.983686088e+00 3.62 -1.938042863e+00 -1.938042863e+00 3.64 -1.892843503e+00 -1.892843503e+00 3.66 -1.848132889e+00 -1.848132889e+00 3.68 -1.803955424e+00 -1.803955424e+00 3.70 -1.760354456e+00 -1.760354456e+00 3.72 -1.717371660e+00 -1.717371660e+00 3.74 -1.675046373e+00 -1.675046373e+00 3.76 -1.633414936e+00 -1.633414936e+00 3.78 -1.592510061e+00 -1.592510061e+00 3.80 -1.552360260e+00 -1.552360260e+00 3.82 -1.512989369e+00 -1.512989369e+00 3.84 -1.474416189e+00 -1.474416189e+00 3.86 -1.436654277e+00 -1.436654277e+00 3.88 -1.399711889e+00 -1.399711889e+00 3.90 -1.363592084e+00 -1.363592084e+00 3.92 -1.328292984e+00 -1.328292984e+00 3.94 -1.293808166e+00 -1.293808166e+00 3.96 -1.260127181e+00 -1.260127181e+00 3.98 -1.227236148e+00 -1.227236148e+00 4.00 -1.195118409e+00 -1.195118409e+00 4.02 -1.163755203e+00 -1.163755203e+00 4.04 -1.133126336e+00 -1.133126336e+00 4.06 -1.103210802e+00 -1.103210802e+00 4.08 -1.073987358e+00 -1.073987358e+00 4.10 -1.045435014e+00 -1.045435014e+00 4.12 -1.017533438e+00 -1.017533438e+00 4.14 -9.902632672e-01 -9.902632672e-01 4.16 -9.636063288e-01 -9.636063288e-01 4.18 -9.375457753e-01 -9.375457753e-01 4.20 -9.120661397e-01 -9.120661397e-01 4.22 -8.871533254e-01 -8.871533254e-01 4.24 -8.627945425e-01 -8.627945425e-01 4.26 -8.384375825e-01 -8.384375825e-01 4.28 -8.031675407e-01 -8.031675407e-01 4.30 -7.272123939e-01 -7.272123939e-01 4.32 -6.010455301e-01 -6.010455301e-01 4.34 -5.512498706e-01 -5.512498706e-01 4.36 -5.346935095e-01 -5.346935095e-01 4.38 -5.185410992e-01 -5.185410992e-01 4.40 -5.027860166e-01 -5.027860166e-01 4.42 -4.874218504e-01 -4.874218504e-01 4.44 -4.724423277e-01 -4.724423277e-01 4.46 -4.578412567e-01 -4.578412567e-01 4.48 -4.436124849e-01 -4.436124849e-01 4.50 -4.297498686e-01 -4.297498686e-01 4.52 -4.162472544e-01 -4.162472544e-01 4.54 -4.030984673e-01 -4.030984673e-01 4.56 -3.902973064e-01 -3.902973064e-01 4.58 -3.778375442e-01 -3.778375442e-01 4.60 -3.657129290e-01 -3.657129290e-01 4.62 -3.539171904e-01 -3.539171904e-01 4.64 -3.424440448e-01 -3.424440448e-01 4.66 -3.312872024e-01 -3.312872024e-01 4.68 -3.204403742e-01 -3.204403742e-01 4.70 -3.098972790e-01 -3.098972790e-01 4.72 -2.996516506e-01 -2.996516506e-01 4.74 -2.896972439e-01 -2.896972439e-01 4.76 -2.800278418e-01 -2.800278418e-01 4.78 -2.706372607e-01 -2.706372607e-01 4.80 -2.615193565e-01 -2.615193565e-01 4.82 -2.526680297e-01 -2.526680297e-01 4.84 -2.440772302e-01 -2.440772302e-01 4.86 -2.357409623e-01 -2.357409623e-01 4.88 -2.276532885e-01 -2.276532885e-01 4.90 -2.198083337e-01 -2.198083337e-01 4.92 -2.115323512e-01 -2.115323512e-01 4.94 -1.946257186e-01 -1.946257186e-01 4.96 -1.503856691e-01 -1.503856691e-01 4.98 -6.753426743e-02 -6.753426743e-02 5.00 -5.463151288e-24 -5.457870335e-24 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00