# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Al # implementation = 2025--Sharifi-H--Fe-Co-Al--LAMMPS--ipr1 # composition = AlCoFe2 # 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 5.435762247e+02 5.435762247e+02 1.00 4.964544699e+02 4.964544699e+02 1.02 4.522980043e+02 4.522980043e+02 1.04 4.114548832e+02 4.114548832e+02 1.06 3.774560531e+02 3.774560531e+02 1.08 3.501636108e+02 3.501636108e+02 1.10 3.277157737e+02 3.277157737e+02 1.12 3.087136194e+02 3.087136194e+02 1.14 2.921217196e+02 2.921217196e+02 1.16 2.771869772e+02 2.771869772e+02 1.18 2.633736422e+02 2.633736422e+02 1.20 2.503114785e+02 2.503114785e+02 1.22 2.377546552e+02 2.377546552e+02 1.24 2.255493983e+02 2.255493983e+02 1.26 2.136086837e+02 2.136086837e+02 1.28 2.018926308e+02 2.018926308e+02 1.30 1.903934841e+02 1.903934841e+02 1.32 1.791242277e+02 1.791242277e+02 1.34 1.681100981e+02 1.681100981e+02 1.36 1.573823734e+02 1.573823734e+02 1.38 1.469739440e+02 1.469739440e+02 1.40 1.369162624e+02 1.369162624e+02 1.42 1.272373451e+02 1.272373451e+02 1.44 1.179605803e+02 1.179605803e+02 1.46 1.091041142e+02 1.091041142e+02 1.48 1.006806775e+02 1.006806775e+02 1.50 9.269773161e+01 9.269773161e+01 1.52 8.515780372e+01 8.515780372e+01 1.54 7.805895265e+01 7.805895265e+01 1.56 7.139530636e+01 7.139530636e+01 1.58 6.515762929e+01 6.515762929e+01 1.60 5.933389078e+01 5.933389078e+01 1.62 5.390981214e+01 5.390981214e+01 1.64 4.886937662e+01 4.886937662e+01 1.66 4.419529374e+01 4.419529374e+01 1.68 3.986941502e+01 3.986941502e+01 1.70 3.587309886e+01 3.587309886e+01 1.72 3.218751859e+01 3.218751859e+01 1.74 2.879387632e+01 2.879387632e+01 1.76 2.567358957e+01 2.567358957e+01 1.78 2.280850596e+01 2.280850596e+01 1.80 2.018106535e+01 2.018106535e+01 1.82 1.777437869e+01 1.777437869e+01 1.84 1.557231442e+01 1.557231442e+01 1.86 1.355956104e+01 1.355956104e+01 1.88 1.172166608e+01 1.172166608e+01 1.90 1.004505824e+01 1.004505824e+01 1.92 8.517051956e+00 8.517051956e+00 1.94 7.125838472e+00 7.125838472e+00 1.96 5.860466204e+00 5.860466204e+00 1.98 4.710791020e+00 4.710791020e+00 2.00 3.667398944e+00 3.667398944e+00 2.02 2.721568619e+00 2.721568619e+00 2.04 1.865255337e+00 1.865255337e+00 2.06 1.091153423e+00 1.091153423e+00 2.08 3.925814279e-01 3.925814279e-01 2.10 -2.366190717e-01 -2.366190717e-01 2.12 -8.021303380e-01 -8.021303380e-01 2.14 -1.309198198e+00 -1.309198198e+00 2.16 -1.762663808e+00 -1.762663808e+00 2.18 -2.166994953e+00 -2.166994953e+00 2.20 -2.526314411e+00 -2.526314411e+00 2.22 -2.844425736e+00 -2.844425736e+00 2.24 -3.124841623e+00 -3.124841623e+00 2.26 -3.370820765e+00 -3.370820765e+00 2.28 -3.585370212e+00 -3.585370212e+00 2.30 -3.771258241e+00 -3.771258241e+00 2.32 -3.931032544e+00 -3.931032544e+00 2.34 -4.067037007e+00 -4.067037007e+00 2.36 -4.181427256e+00 -4.181427256e+00 2.38 -4.276185063e+00 -4.276185063e+00 2.40 -4.353131630e+00 -4.353131630e+00 2.42 -4.413939923e+00 -4.413939923e+00 2.44 -4.460146204e+00 -4.460146204e+00 2.46 -4.493169766e+00 -4.493169766e+00 2.48 -4.514326689e+00 -4.514326689e+00 2.50 -4.524822430e+00 -4.524822430e+00 2.52 -4.525759070e+00 -4.525759070e+00 2.54 -4.518143588e+00 -4.518143588e+00 2.56 -4.502895468e+00 -4.502895468e+00 2.58 -4.480853743e+00 -4.480853743e+00 2.60 -4.452783492e+00 -4.452783492e+00 2.62 -4.419381822e+00 -4.419381822e+00 2.64 -4.381283409e+00 -4.381283409e+00 2.66 -4.339065593e+00 -4.339065593e+00 2.68 -4.293253079e+00 -4.293253079e+00 2.70 -4.244322281e+00 -4.244322281e+00 2.72 -4.192705320e+00 -4.192705320e+00 2.74 -4.138793706e+00 -4.138793706e+00 2.76 -4.082941741e+00 -4.082941741e+00 2.78 -4.025469646e+00 -4.025469646e+00 2.80 -3.966666441e+00 -3.966666441e+00 2.82 -3.906792606e+00 -3.906792606e+00 2.84 -3.846082519e+00 -3.846082519e+00 2.86 -3.784746706e+00 -3.784746706e+00 2.88 -3.722973913e+00 -3.722973913e+00 2.90 -3.660933002e+00 -3.660933002e+00 2.92 -3.598774705e+00 -3.598774705e+00 2.94 -3.536633232e+00 -3.536633232e+00 2.96 -3.474627741e+00 -3.474627741e+00 2.98 -3.412863702e+00 -3.412863702e+00 3.00 -3.351434134e+00 -3.351434134e+00 3.02 -3.290287756e+00 -3.290287756e+00 3.04 -3.227821527e+00 -3.227821527e+00 3.06 -3.163261117e+00 -3.163261117e+00 3.08 -3.103986886e+00 -3.103986886e+00 3.10 -3.045466637e+00 -3.045466637e+00 3.12 -2.987641633e+00 -2.987641633e+00 3.14 -2.930544104e+00 -2.930544104e+00 3.16 -2.874200721e+00 -2.874200721e+00 3.18 -2.818633153e+00 -2.818633153e+00 3.20 -2.763858582e+00 -2.763858582e+00 3.22 -2.709890171e+00 -2.709890171e+00 3.24 -2.656737485e+00 -2.656737485e+00 3.26 -2.604406879e+00 -2.604406879e+00 3.28 -2.552901854e+00 -2.552901854e+00 3.30 -2.502223368e+00 -2.502223368e+00 3.32 -2.452370132e+00 -2.452370132e+00 3.34 -2.403338868e+00 -2.403338868e+00 3.36 -2.355124549e+00 -2.355124549e+00 3.38 -2.307720612e+00 -2.307720612e+00 3.40 -2.261119150e+00 -2.261119150e+00 3.42 -2.215311090e+00 -2.215311090e+00 3.44 -2.170286345e+00 -2.170286345e+00 3.46 -2.126033958e+00 -2.126033958e+00 3.48 -2.082542225e+00 -2.082542225e+00 3.50 -2.039798812e+00 -2.039798812e+00 3.52 -1.997790850e+00 -1.997790850e+00 3.54 -1.956505029e+00 -1.956505029e+00 3.56 -1.915927674e+00 -1.915927674e+00 3.58 -1.876044817e+00 -1.876044817e+00 3.60 -1.836842258e+00 -1.836842258e+00 3.62 -1.798305622e+00 -1.798305622e+00 3.64 -1.760420403e+00 -1.760420403e+00 3.66 -1.723172008e+00 -1.723172008e+00 3.68 -1.686545793e+00 -1.686545793e+00 3.70 -1.650527096e+00 -1.650527096e+00 3.72 -1.615101261e+00 -1.615101261e+00 3.74 -1.580253667e+00 -1.580253667e+00 3.76 -1.545969744e+00 -1.545969744e+00 3.78 -1.512234991e+00 -1.512234991e+00 3.80 -1.479034997e+00 -1.479034997e+00 3.82 -1.446355450e+00 -1.446355450e+00 3.84 -1.414182149e+00 -1.414182149e+00 3.86 -1.382501023e+00 -1.382501023e+00 3.88 -1.351298132e+00 -1.351298132e+00 3.90 -1.320559686e+00 -1.320559686e+00 3.92 -1.290272055e+00 -1.290272055e+00 3.94 -1.260421779e+00 -1.260421779e+00 3.96 -1.230995582e+00 -1.230995582e+00 3.98 -1.201980391e+00 -1.201980391e+00 4.00 -1.173363348e+00 -1.173363348e+00 4.02 -1.145131833e+00 -1.145131833e+00 4.04 -1.117273485e+00 -1.117273485e+00 4.06 -1.089776230e+00 -1.089776230e+00 4.08 -1.062628308e+00 -1.062628308e+00 4.10 -1.035818310e+00 -1.035818310e+00 4.12 -1.009335213e+00 -1.009335213e+00 4.14 -9.831684274e-01 -9.831684274e-01 4.16 -9.573078406e-01 -9.573078406e-01 4.18 -9.317438751e-01 -9.317438751e-01 4.20 -9.064675458e-01 -9.064675458e-01 4.22 -8.814705247e-01 -8.814705247e-01 4.24 -8.567452108e-01 -8.567452108e-01 4.26 -8.321882714e-01 -8.321882714e-01 4.28 -8.056661443e-01 -8.056661443e-01 4.30 -7.675912440e-01 -7.675912440e-01 4.32 -6.984215390e-01 -6.984215390e-01 4.34 -6.585235436e-01 -6.585235436e-01 4.36 -6.371429997e-01 -6.371429997e-01 4.38 -6.161856364e-01 -6.161856364e-01 4.40 -5.956710740e-01 -5.956710740e-01 4.42 -5.756181567e-01 -5.756181567e-01 4.44 -5.560445733e-01 -5.560445733e-01 4.46 -5.369664870e-01 -5.369664870e-01 4.48 -5.183981889e-01 -5.183981889e-01 4.50 -5.003517838e-01 -5.003517838e-01 4.52 -4.828369216e-01 -4.828369216e-01 4.54 -4.658605817e-01 -4.658605817e-01 4.56 -4.494269182e-01 -4.494269182e-01 4.58 -4.335371707e-01 -4.335371707e-01 4.60 -4.181896438e-01 -4.181896438e-01 4.62 -4.033797533e-01 -4.033797533e-01 4.64 -3.891001387e-01 -3.891001387e-01 4.66 -3.753408343e-01 -3.753408343e-01 4.68 -3.620894939e-01 -3.620894939e-01 4.70 -3.493316583e-01 -3.493316583e-01 4.72 -3.370510567e-01 -3.370510567e-01 4.74 -3.252299312e-01 -3.252299312e-01 4.76 -3.138493734e-01 -3.138493734e-01 4.78 -3.028896627e-01 -3.028896627e-01 4.80 -2.923305961e-01 -2.923305961e-01 4.82 -2.821518024e-01 -2.821518024e-01 4.84 -2.723330312e-01 -2.723330312e-01 4.86 -2.628544129e-01 -2.628544129e-01 4.88 -2.536966842e-01 -2.536966842e-01 4.90 -2.448413765e-01 -2.448413765e-01 4.92 -2.360418055e-01 -2.360418055e-01 4.94 -2.244382803e-01 -2.244382803e-01 4.96 -2.002104868e-01 -2.002104868e-01 4.98 -1.317157721e-01 -1.317157721e-01 5.00 -4.049281982e-22 -4.045585293e-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 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