# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Fe # implementation = 2025--Sharifi-H--Cr-Co-Fe--LAMMPS--ipr1 # composition = CoCr2Fe # 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 2.242454960e+02 2.242454960e+02 1.00 2.028606444e+02 2.028606444e+02 1.02 1.832795868e+02 1.832795868e+02 1.04 1.654139357e+02 1.654139357e+02 1.06 1.491620163e+02 1.491620163e+02 1.08 1.344148321e+02 1.344148321e+02 1.10 1.210605283e+02 1.210605283e+02 1.12 1.089876793e+02 1.089876793e+02 1.14 9.808765884e+01 9.808765884e+01 1.16 8.825629820e+01 8.825629820e+01 1.18 7.939499189e+01 7.939499189e+01 1.20 7.141137933e+01 7.141137933e+01 1.22 6.421970383e+01 6.421970383e+01 1.24 5.774092688e+01 5.774092688e+01 1.26 5.190266310e+01 5.190266310e+01 1.28 4.663898670e+01 4.663898670e+01 1.30 4.189014590e+01 4.189014590e+01 1.32 3.760221654e+01 3.760221654e+01 1.34 3.372670150e+01 3.372670150e+01 1.36 3.022009377e+01 3.022009377e+01 1.38 2.704347497e+01 2.704347497e+01 1.40 2.416212996e+01 2.416212996e+01 1.42 2.154517196e+01 2.154517196e+01 1.44 1.916518405e+01 1.916518405e+01 1.46 1.699787782e+01 1.699787782e+01 1.48 1.502177453e+01 1.502177453e+01 1.50 1.321791006e+01 1.321791006e+01 1.52 1.156956373e+01 1.156956373e+01 1.54 1.006201016e+01 1.006201016e+01 1.56 8.682293708e+00 8.682293708e+00 1.58 7.419024741e+00 7.419024741e+00 1.60 6.262196011e+00 6.262196011e+00 1.62 5.203004107e+00 5.203004107e+00 1.64 4.233598400e+00 4.233598400e+00 1.66 3.346892037e+00 3.346892037e+00 1.68 2.536478162e+00 2.536478162e+00 1.70 1.796559210e+00 1.796559210e+00 1.72 1.121852815e+00 1.121852815e+00 1.74 5.074811906e-01 5.074811906e-01 1.76 -5.107382250e-02 -5.107382250e-02 1.78 -5.579984956e-01 -5.579984956e-01 1.80 -1.017173142e+00 -1.017173142e+00 1.82 -1.432195541e+00 -1.432195541e+00 1.84 -1.806402271e+00 -1.806402271e+00 1.86 -2.142888265e+00 -2.142888265e+00 1.88 -2.444524778e+00 -2.444524778e+00 1.90 -2.713975087e+00 -2.713975087e+00 1.92 -2.953731915e+00 -2.953731915e+00 1.94 -3.166168438e+00 -3.166168438e+00 1.96 -3.353490223e+00 -3.353490223e+00 1.98 -3.517736121e+00 -3.517736121e+00 2.00 -3.660790865e+00 -3.660790865e+00 2.02 -3.784447420e+00 -3.784447420e+00 2.04 -3.890565931e+00 -3.890565931e+00 2.06 -3.980881699e+00 -3.980881699e+00 2.08 -4.056954825e+00 -4.056954825e+00 2.10 -4.120188229e+00 -4.120188229e+00 2.12 -4.171844938e+00 -4.171844938e+00 2.14 -4.213077515e+00 -4.213077515e+00 2.16 -4.244932870e+00 -4.244932870e+00 2.18 -4.268350695e+00 -4.268350695e+00 2.20 -4.284175325e+00 -4.284175325e+00 2.22 -4.293164744e+00 -4.293164744e+00 2.24 -4.295999347e+00 -4.295999347e+00 2.26 -4.293290155e+00 -4.293290155e+00 2.28 -4.285586174e+00 -4.285586174e+00 2.30 -4.273380978e+00 -4.273380978e+00 2.32 -4.257118604e+00 -4.257118604e+00 2.34 -4.237198819e+00 -4.237198819e+00 2.36 -4.213981840e+00 -4.213981840e+00 2.38 -4.187792538e+00 -4.187792538e+00 2.40 -4.158924207e+00 -4.158924207e+00 2.42 -4.127641920e+00 -4.127641920e+00 2.44 -4.094185530e+00 -4.094185530e+00 2.46 -4.058772344e+00 -4.058772344e+00 2.48 -4.021599511e+00 -4.021599511e+00 2.50 -3.982846141e+00 -3.982846141e+00 2.52 -3.942675208e+00 -3.942675208e+00 2.54 -3.901235226e+00 -3.901235226e+00 2.56 -3.858661758e+00 -3.858661758e+00 2.58 -3.815078742e+00 -3.815078742e+00 2.60 -3.770599684e+00 -3.770599684e+00 2.62 -3.725328706e+00 -3.725328706e+00 2.64 -3.679361485e+00 -3.679361485e+00 2.66 -3.632786081e+00 -3.632786081e+00 2.68 -3.585683677e+00 -3.585683677e+00 2.70 -3.538129228e+00 -3.538129228e+00 2.72 -3.490192043e+00 -3.490192043e+00 2.74 -3.441936295e+00 -3.441936295e+00 2.76 -3.393421477e+00 -3.393421477e+00 2.78 -3.344702805e+00 -3.344702805e+00 2.80 -3.295831572e+00 -3.295831572e+00 2.82 -3.246855460e+00 -3.246855460e+00 2.84 -3.197818824e+00 -3.197818824e+00 2.86 -3.148762932e+00 -3.148762932e+00 2.88 -3.099726186e+00 -3.099726186e+00 2.90 -3.050744315e+00 -3.050744315e+00 2.92 -3.001850538e+00 -3.001850538e+00 2.94 -2.953075723e+00 -2.953075723e+00 2.96 -2.904448514e+00 -2.904448514e+00 2.98 -2.855995447e+00 -2.855995447e+00 3.00 -2.807741058e+00 -2.807741058e+00 3.02 -2.759707973e+00 -2.759707973e+00 3.04 -2.711916986e+00 -2.711916986e+00 3.06 -2.664387136e+00 -2.664387136e+00 3.08 -2.617135768e+00 -2.617135768e+00 3.10 -2.570178593e+00 -2.570178593e+00 3.12 -2.523529737e+00 -2.523529737e+00 3.14 -2.477201791e+00 -2.477201791e+00 3.16 -2.431205853e+00 -2.431205853e+00 3.18 -2.385551571e+00 -2.385551571e+00 3.20 -2.340247181e+00 -2.340247181e+00 3.22 -2.295299548e+00 -2.295299548e+00 3.24 -2.250714206e+00 -2.250714206e+00 3.26 -2.206495402e+00 -2.206495402e+00 3.28 -2.162646141e+00 -2.162646141e+00 3.30 -2.119168240e+00 -2.119168240e+00 3.32 -2.076062389e+00 -2.076062389e+00 3.34 -2.033328222e+00 -2.033328222e+00 3.36 -1.990964397e+00 -1.990964397e+00 3.38 -1.948968695e+00 -1.948968695e+00 3.40 -1.907338138e+00 -1.907338138e+00 3.42 -1.866069122e+00 -1.866069122e+00 3.44 -1.825157582e+00 -1.825157582e+00 3.46 -1.784599177e+00 -1.784599177e+00 3.48 -1.744389509e+00 -1.744389509e+00 3.50 -1.704524376e+00 -1.704524376e+00 3.52 -1.665000053e+00 -1.665000053e+00 3.54 -1.625813613e+00 -1.625813613e+00 3.56 -1.586963276e+00 -1.586963276e+00 3.58 -1.548448790e+00 -1.548448790e+00 3.60 -1.510271830e+00 -1.510271830e+00 3.62 -1.472436412e+00 -1.472436412e+00 3.64 -1.434949304e+00 -1.434949304e+00 3.66 -1.397820414e+00 -1.397820414e+00 3.68 -1.361063143e+00 -1.361063143e+00 3.70 -1.324694663e+00 -1.324694663e+00 3.72 -1.288736101e+00 -1.288736101e+00 3.74 -1.253212609e+00 -1.253212609e+00 3.76 -1.218153266e+00 -1.218153266e+00 3.78 -1.183590819e+00 -1.183590819e+00 3.80 -1.149561226e+00 -1.149561226e+00 3.82 -1.116103005e+00 -1.116103005e+00 3.84 -1.083256383e+00 -1.083256383e+00 3.86 -1.051062287e+00 -1.051062287e+00 3.88 -1.019561187e+00 -1.019561187e+00 3.90 -9.887918637e-01 -9.887918637e-01 3.92 -9.587901479e-01 -9.587901479e-01 3.94 -9.295877045e-01 -9.295877045e-01 3.96 -9.012109338e-01 -9.012109338e-01 3.98 -8.736800517e-01 -8.736800517e-01 4.00 -8.470084058e-01 -8.470084058e-01 4.02 -8.212020671e-01 -8.212020671e-01 4.04 -7.962597161e-01 -7.962597161e-01 4.06 -7.721728259e-01 -7.721728259e-01 4.08 -7.489261208e-01 -7.489261208e-01 4.10 -7.264982735e-01 -7.264982735e-01 4.12 -7.048627922e-01 -7.048627922e-01 4.14 -6.839890372e-01 -6.839890372e-01 4.16 -6.638433060e-01 -6.638433060e-01 4.18 -6.443899272e-01 -6.443899272e-01 4.20 -6.255923080e-01 -6.255923080e-01 4.22 -6.074138899e-01 -6.074138899e-01 4.24 -5.898189780e-01 -5.898189780e-01 4.26 -5.727685000e-01 -5.727685000e-01 4.28 -5.560775372e-01 -5.560775372e-01 4.30 -5.364298916e-01 -5.364298916e-01 4.32 -4.927360360e-01 -4.927360360e-01 4.34 -4.597928294e-01 -4.597928294e-01 4.36 -4.466855184e-01 -4.466855184e-01 4.38 -4.339239408e-01 -4.339239408e-01 4.40 -4.214926808e-01 -4.214926808e-01 4.42 -4.093783382e-01 -4.093783382e-01 4.44 -3.975692627e-01 -3.975692627e-01 4.46 -3.860552852e-01 -3.860552852e-01 4.48 -3.748274611e-01 -3.748274611e-01 4.50 -3.638778365e-01 -3.638778365e-01 4.52 -3.531992412e-01 -3.531992412e-01 4.54 -3.427851152e-01 -3.427851152e-01 4.56 -3.326293647e-01 -3.326293647e-01 4.58 -3.227262492e-01 -3.227262492e-01 4.60 -3.130702941e-01 -3.130702941e-01 4.62 -3.036562260e-01 -3.036562260e-01 4.64 -2.944789261e-01 -2.944789261e-01 4.66 -2.855333978e-01 -2.855333978e-01 4.68 -2.768147448e-01 -2.768147448e-01 4.70 -2.683181572e-01 -2.683181572e-01 4.72 -2.600389027e-01 -2.600389027e-01 4.74 -2.519723219e-01 -2.519723219e-01 4.76 -2.441138250e-01 -2.441138250e-01 4.78 -2.364588909e-01 -2.364588909e-01 4.80 -2.290030664e-01 -2.290030664e-01 4.82 -2.217419665e-01 -2.217419665e-01 4.84 -2.146712739e-01 -2.146712739e-01 4.86 -2.077867398e-01 -2.077867398e-01 4.88 -2.010841839e-01 -2.010841839e-01 4.90 -1.945594941e-01 -1.945594941e-01 4.92 -1.876140225e-01 -1.876140225e-01 4.94 -1.729325085e-01 -1.729325085e-01 4.96 -1.337748741e-01 -1.337748741e-01 4.98 -6.002511559e-02 -6.002511559e-02 5.00 -2.478145315e-24 -2.479759205e-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