# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Fe # implementation = 2025--Sharifi-H--Cu-Co-Fe--LAMMPS--ipr1 # composition = CoCu2Fe # 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 6.160641946e+02 6.160641946e+02 1.00 5.526831738e+02 5.526831738e+02 1.02 4.953350206e+02 4.953350206e+02 1.04 4.435937503e+02 4.435937503e+02 1.06 3.970205718e+02 3.970205718e+02 1.08 3.551801850e+02 3.551801850e+02 1.10 3.176515257e+02 3.176515257e+02 1.12 2.840345325e+02 2.840345325e+02 1.14 2.539540819e+02 2.539540819e+02 1.16 2.270619207e+02 2.270619207e+02 1.18 2.030372228e+02 2.030372228e+02 1.20 1.815862168e+02 1.815862168e+02 1.22 1.624412054e+02 1.624412054e+02 1.24 1.453592130e+02 1.453592130e+02 1.26 1.301204187e+02 1.301204187e+02 1.28 1.165264880e+02 1.165264880e+02 1.30 1.043988506e+02 1.043988506e+02 1.32 9.357701591e+01 9.357701591e+01 1.34 8.391702221e+01 8.391702221e+01 1.36 7.528996069e+01 7.528996069e+01 1.38 6.758058386e+01 6.758058386e+01 1.40 6.068601251e+01 6.068601251e+01 1.42 5.451454120e+01 5.451454120e+01 1.44 4.898453924e+01 4.898453924e+01 1.46 4.402344558e+01 4.402344558e+01 1.48 3.956685054e+01 3.956685054e+01 1.50 3.555765948e+01 3.555765948e+01 1.52 3.194533411e+01 3.194533411e+01 1.54 2.868520411e+01 2.868520411e+01 1.56 2.573784118e+01 2.573784118e+01 1.58 2.306849452e+01 2.306849452e+01 1.60 2.064657919e+01 2.064657919e+01 1.62 1.844521787e+01 1.844521787e+01 1.64 1.644082848e+01 1.644082848e+01 1.66 1.461275143e+01 1.461275143e+01 1.68 1.294291530e+01 1.294291530e+01 1.70 1.141553555e+01 1.141553555e+01 1.72 1.001681366e+01 1.001681366e+01 1.74 8.734641410e+00 8.734641410e+00 1.76 7.558389321e+00 7.558389321e+00 1.78 6.478731800e+00 6.478731800e+00 1.80 5.487486335e+00 5.487486335e+00 1.82 4.577412316e+00 4.577412316e+00 1.84 3.742069365e+00 3.742069365e+00 1.86 2.975719388e+00 2.975719388e+00 1.88 2.273192007e+00 2.273192007e+00 1.90 1.629738711e+00 1.629738711e+00 1.92 1.040965871e+00 1.040965871e+00 1.94 5.028068307e-01 5.028068307e-01 1.96 1.149683827e-02 1.149683827e-02 1.98 -4.364500726e-01 -4.364500726e-01 2.00 -8.442623502e-01 -8.442623502e-01 2.02 -1.214930486e+00 -1.214930486e+00 2.04 -1.551225075e+00 -1.551225075e+00 2.06 -1.855713428e+00 -1.855713428e+00 2.08 -2.130774887e+00 -2.130774887e+00 2.10 -2.378614960e+00 -2.378614960e+00 2.12 -2.601279520e+00 -2.601279520e+00 2.14 -2.800681753e+00 -2.800681753e+00 2.16 -2.978605068e+00 -2.978605068e+00 2.18 -3.136699778e+00 -3.136699778e+00 2.20 -3.276493062e+00 -3.276493062e+00 2.22 -3.399398457e+00 -3.399398457e+00 2.24 -3.506728862e+00 -3.506728862e+00 2.26 -3.599709521e+00 -3.599709521e+00 2.28 -3.679474670e+00 -3.679474670e+00 2.30 -3.747072951e+00 -3.747072951e+00 2.32 -3.803473618e+00 -3.803473618e+00 2.34 -3.849541962e+00 -3.849541962e+00 2.36 -3.886034167e+00 -3.886034167e+00 2.38 -3.913655552e+00 -3.913655552e+00 2.40 -3.933068408e+00 -3.933068408e+00 2.42 -3.944898134e+00 -3.944898134e+00 2.44 -3.949742213e+00 -3.949742213e+00 2.46 -3.948161941e+00 -3.948161941e+00 2.48 -3.940682413e+00 -3.940682413e+00 2.50 -3.927794722e+00 -3.927794722e+00 2.52 -3.909958037e+00 -3.909958037e+00 2.54 -3.887601550e+00 -3.887601550e+00 2.56 -3.861126301e+00 -3.861126301e+00 2.58 -3.830906893e+00 -3.830906893e+00 2.60 -3.797293110e+00 -3.797293110e+00 2.62 -3.760611429e+00 -3.760611429e+00 2.64 -3.721166443e+00 -3.721166443e+00 2.66 -3.679242199e+00 -3.679242199e+00 2.68 -3.635103459e+00 -3.635103459e+00 2.70 -3.588996876e+00 -3.588996876e+00 2.72 -3.541152111e+00 -3.541152111e+00 2.74 -3.491782871e+00 -3.491782871e+00 2.76 -3.441087896e+00 -3.441087896e+00 2.78 -3.389251881e+00 -3.389251881e+00 2.80 -3.336446341e+00 -3.336446341e+00 2.82 -3.282830432e+00 -3.282830432e+00 2.84 -3.228551716e+00 -3.228551716e+00 2.86 -3.173746880e+00 -3.173746880e+00 2.88 -3.118542423e+00 -3.118542423e+00 2.90 -3.063055287e+00 -3.063055287e+00 2.92 -3.007393460e+00 -3.007393460e+00 2.94 -2.951656542e+00 -2.951656542e+00 2.96 -2.895936275e+00 -2.895936275e+00 2.98 -2.840317044e+00 -2.840317044e+00 3.00 -2.784876346e+00 -2.784876346e+00 3.02 -2.729834210e+00 -2.729834210e+00 3.04 -2.677073342e+00 -2.677073342e+00 3.06 -2.627228526e+00 -2.627228526e+00 3.08 -2.573040171e+00 -2.573040171e+00 3.10 -2.519240529e+00 -2.519240529e+00 3.12 -2.465968524e+00 -2.465968524e+00 3.14 -2.413264263e+00 -2.413264263e+00 3.16 -2.361163859e+00 -2.361163859e+00 3.18 -2.309699693e+00 -2.309699693e+00 3.20 -2.258900673e+00 -2.258900673e+00 3.22 -2.208792469e+00 -2.208792469e+00 3.24 -2.159397739e+00 -2.159397739e+00 3.26 -2.110736334e+00 -2.110736334e+00 3.28 -2.062825503e+00 -2.062825503e+00 3.30 -2.015680073e+00 -2.015680073e+00 3.32 -1.969312625e+00 -1.969312625e+00 3.34 -1.923733656e+00 -1.923733656e+00 3.36 -1.878951737e+00 -1.878951737e+00 3.38 -1.834973650e+00 -1.834973650e+00 3.40 -1.791804530e+00 -1.791804530e+00 3.42 -1.749447987e+00 -1.749447987e+00 3.44 -1.707906227e+00 -1.707906227e+00 3.46 -1.667180164e+00 -1.667180164e+00 3.48 -1.627269521e+00 -1.627269521e+00 3.50 -1.588172932e+00 -1.588172932e+00 3.52 -1.549888030e+00 -1.549888030e+00 3.54 -1.512411536e+00 -1.512411536e+00 3.56 -1.475739334e+00 -1.475739334e+00 3.58 -1.439866550e+00 -1.439866550e+00 3.60 -1.404787621e+00 -1.404787621e+00 3.62 -1.370496358e+00 -1.370496358e+00 3.64 -1.336986007e+00 -1.336986007e+00 3.66 -1.304249309e+00 -1.304249309e+00 3.68 -1.272278547e+00 -1.272278547e+00 3.70 -1.241065599e+00 -1.241065599e+00 3.72 -1.210601980e+00 -1.210601980e+00 3.74 -1.180878888e+00 -1.180878888e+00 3.76 -1.151887238e+00 -1.151887238e+00 3.78 -1.123617700e+00 -1.123617700e+00 3.80 -1.096060731e+00 -1.096060731e+00 3.82 -1.069206606e+00 -1.069206606e+00 3.84 -1.043045447e+00 -1.043045447e+00 3.86 -1.017567242e+00 -1.017567242e+00 3.88 -9.927618750e-01 -9.927618750e-01 3.90 -9.686191417e-01 -9.686191417e-01 3.92 -9.451287691e-01 -9.451287691e-01 3.94 -9.222804319e-01 -9.222804319e-01 3.96 -9.000637661e-01 -9.000637661e-01 3.98 -8.784683815e-01 -8.784683815e-01 4.00 -8.574838719e-01 -8.574838719e-01 4.02 -8.370998231e-01 -8.370998231e-01 4.04 -8.173058202e-01 -8.173058202e-01 4.06 -7.980914518e-01 -7.980914518e-01 4.08 -7.794463134e-01 -7.794463134e-01 4.10 -7.613600087e-01 -7.613600087e-01 4.12 -7.438221492e-01 -7.438221492e-01 4.14 -7.268223525e-01 -7.268223525e-01 4.16 -7.103502388e-01 -7.103502388e-01 4.18 -6.943954253e-01 -6.943954253e-01 4.20 -6.789475201e-01 -6.789475201e-01 4.22 -6.639961137e-01 -6.639961137e-01 4.24 -6.495307694e-01 -6.495307694e-01 4.26 -6.356753316e-01 -6.356753316e-01 4.28 -6.251577242e-01 -6.251577242e-01 4.30 -6.238879900e-01 -6.238879900e-01 4.32 -6.237750640e-01 -6.237750640e-01 4.34 -6.124453696e-01 -6.124453696e-01 4.36 -6.014193619e-01 -6.014193619e-01 4.38 -5.907374004e-01 -5.907374004e-01 4.40 -5.803892593e-01 -5.803892593e-01 4.42 -5.703644823e-01 -5.703644823e-01 4.44 -5.606523769e-01 -5.606523769e-01 4.46 -5.512420123e-01 -5.512420123e-01 4.48 -5.421222194e-01 -5.421222194e-01 4.50 -5.332815944e-01 -5.332815944e-01 4.52 -5.247085074e-01 -5.247085074e-01 4.54 -5.163911143e-01 -5.163911143e-01 4.56 -5.083173751e-01 -5.083173751e-01 4.58 -5.004750775e-01 -5.004750775e-01 4.60 -4.928518661e-01 -4.928518661e-01 4.62 -4.854352791e-01 -4.854352791e-01 4.64 -4.782127910e-01 -4.782127910e-01 4.66 -4.711718622e-01 -4.711718622e-01 4.68 -4.642999952e-01 -4.642999952e-01 4.70 -4.575847976e-01 -4.575847976e-01 4.72 -4.510140503e-01 -4.510140503e-01 4.74 -4.445757811e-01 -4.445757811e-01 4.76 -4.382583424e-01 -4.382583424e-01 4.78 -4.320504909e-01 -4.320504909e-01 4.80 -4.259414693e-01 -4.259414693e-01 4.82 -4.199210866e-01 -4.199210866e-01 4.84 -4.139797961e-01 -4.139797961e-01 4.86 -4.081087691e-01 -4.081087691e-01 4.88 -4.022999608e-01 -4.022999608e-01 4.90 -3.965461687e-01 -3.965461687e-01 4.92 -3.902620567e-01 -3.902620567e-01 4.94 -3.759242205e-01 -3.759242205e-01 4.96 -3.305981046e-01 -3.305981046e-01 4.98 -2.045365307e-01 -2.045365307e-01 5.00 -1.719439050e-22 -1.720409801e-22 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 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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