# 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 = 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.204360435e+02 2.204360435e+02 1.10 2.035738433e+02 2.035738433e+02 1.12 1.876979223e+02 1.876979223e+02 1.14 1.729868000e+02 1.729868000e+02 1.16 1.596723176e+02 1.596723176e+02 1.18 1.473038429e+02 1.473038429e+02 1.20 1.363689941e+02 1.363689941e+02 1.22 1.258123583e+02 1.258123583e+02 1.24 1.159478569e+02 1.159478569e+02 1.26 1.070574395e+02 1.070573652e+02 1.28 9.878540763e+01 9.878540763e+01 1.30 9.115123678e+01 9.115123678e+01 1.32 8.391783898e+01 8.391783898e+01 1.34 7.755738762e+01 7.755738762e+01 1.36 7.133411599e+01 7.133411599e+01 1.38 6.560517103e+01 6.560517103e+01 1.40 6.027364294e+01 6.027364294e+01 1.42 5.533763175e+01 5.533763175e+01 1.44 5.108784847e+01 5.108784847e+01 1.46 4.706528284e+01 4.706528284e+01 1.48 4.308517114e+01 4.308517114e+01 1.50 3.939827914e+01 3.939827914e+01 1.52 3.609579159e+01 3.609579159e+01 1.54 3.314361787e+01 3.314361787e+01 1.56 3.017750647e+01 3.017750647e+01 1.58 2.747002411e+01 2.747002411e+01 1.60 2.492019010e+01 2.492019010e+01 1.62 2.255792525e+01 2.255792525e+01 1.64 2.036954578e+01 2.036954578e+01 1.66 1.845165394e+01 1.845165394e+01 1.68 1.667466148e+01 1.667466148e+01 1.70 1.491655172e+01 1.491655172e+01 1.72 1.328924875e+01 1.328924875e+01 1.74 1.189989130e+01 1.189989130e+01 1.76 1.049668253e+01 1.049668253e+01 1.78 9.199218216e+00 9.199218216e+00 1.80 8.000022884e+00 8.000022884e+00 1.82 7.038280747e+00 7.038280747e+00 1.84 6.002862238e+00 6.002862238e+00 1.86 5.271043916e+00 5.271043916e+00 1.88 4.371342432e+00 4.371342432e+00 1.90 3.542414273e+00 3.542414273e+00 1.92 2.779290735e+00 2.779290735e+00 1.94 2.136894137e+00 2.136894137e+00 1.96 1.487169182e+00 1.487169182e+00 1.98 8.907292862e-01 8.907292862e-01 2.00 3.438389855e-01 3.438389855e-01 2.02 -1.569763222e-01 -1.569763222e-01 2.04 -6.149496622e-01 -6.149496622e-01 2.06 -1.033090216e+00 -1.033090216e+00 2.08 -1.414199640e+00 -1.414199640e+00 2.10 -1.660642174e+00 -1.660640392e+00 2.12 -1.927848667e+00 -1.927848667e+00 2.14 -2.223749859e+00 -2.223749859e+00 2.16 -2.491228848e+00 -2.491228848e+00 2.18 -2.732311863e+00 -2.732311863e+00 2.20 -2.948887754e+00 -2.948887754e+00 2.22 -3.142717578e+00 -3.142717578e+00 2.24 -3.196318551e+00 -3.196318551e+00 2.26 -3.357647499e+00 -3.357647499e+00 2.28 -3.500271767e+00 -3.500271767e+00 2.30 -3.625561800e+00 -3.625561800e+00 2.32 -3.734795988e+00 -3.734795988e+00 2.34 -3.829166903e+00 -3.829166903e+00 2.36 -3.909787090e+00 -3.909787090e+00 2.38 -3.977694443e+00 -3.977694443e+00 2.40 -4.033857203e+00 -4.033857203e+00 2.42 -4.079178614e+00 -4.079178614e+00 2.44 -3.996916354e+00 -3.996916354e+00 2.46 -4.030602835e+00 -4.030602835e+00 2.48 -4.055323707e+00 -4.055323707e+00 2.50 -4.071793385e+00 -4.071793385e+00 2.52 -3.967272606e+00 -3.967272606e+00 2.54 -3.976275948e+00 -3.976275948e+00 2.56 -3.978454781e+00 -3.978454781e+00 2.58 -3.974376408e+00 -3.974376408e+00 2.60 -3.964569792e+00 -3.964569792e+00 2.62 -3.949528029e+00 -3.949528029e+00 2.64 -3.929710671e+00 -3.929710671e+00 2.66 -3.905545888e+00 -3.905545888e+00 2.68 -3.877432496e+00 -3.877432496e+00 2.70 -3.845741846e+00 -3.845741846e+00 2.72 -3.810819597e+00 -3.810819597e+00 2.74 -3.742908312e+00 -3.742908312e+00 2.76 -3.704161642e+00 -3.704161642e+00 2.78 -3.662986674e+00 -3.662986674e+00 2.80 -3.619647166e+00 -3.619647166e+00 2.82 -3.574388175e+00 -3.574388175e+00 2.84 -3.527437253e+00 -3.527437253e+00 2.86 -3.479005584e+00 -3.479005584e+00 2.88 -3.429289031e+00 -3.429289031e+00 2.90 -3.378469129e+00 -3.378469129e+00 2.92 -3.326714014e+00 -3.326714014e+00 2.94 -3.274179285e+00 -3.274179285e+00 2.96 -3.221008823e+00 -3.221008823e+00 2.98 -3.167335548e+00 -3.167335548e+00 3.00 -3.113282138e+00 -3.113282138e+00 3.02 -3.058961693e+00 -3.058961693e+00 3.04 -3.004478368e+00 -3.004478368e+00 3.06 -2.949927954e+00 -2.949927954e+00 3.08 -2.895398434e+00 -2.895398434e+00 3.10 -2.840970499e+00 -2.840970499e+00 3.12 -2.786718027e+00 -2.786718027e+00 3.14 -2.732708544e+00 -2.732708544e+00 3.16 -2.640804118e+00 -2.640804118e+00 3.18 -2.589380890e+00 -2.589380890e+00 3.20 -2.538273089e+00 -2.538273089e+00 3.22 -2.487531565e+00 -2.487531565e+00 3.24 -2.437202462e+00 -2.437202462e+00 3.26 -2.387327528e+00 -2.387327528e+00 3.28 -2.337944418e+00 -2.337944418e+00 3.30 -2.172314358e+00 -2.172314358e+00 3.32 -2.129603017e+00 -2.129603017e+00 3.34 -2.087208145e+00 -2.087208145e+00 3.36 -2.045166221e+00 -2.045166221e+00 3.38 -2.003510283e+00 -2.003510283e+00 3.40 -1.962270159e+00 -1.962270159e+00 3.42 -1.921472681e+00 -1.921472681e+00 3.44 -1.881141883e+00 -1.881141883e+00 3.46 -1.841299193e+00 -1.841299193e+00 3.48 -1.801963613e+00 -1.801963613e+00 3.50 -1.763151881e+00 -1.763151881e+00 3.52 -1.724878634e+00 -1.724878634e+00 3.54 -1.687156548e+00 -1.687156548e+00 3.56 -1.649996485e+00 -1.649996485e+00 3.58 -1.613407617e+00 -1.613407617e+00 3.60 -1.577397547e+00 -1.577397547e+00 3.62 -1.541972431e+00 -1.541972431e+00 3.64 -1.507137076e+00 -1.507137076e+00 3.66 -1.472895047e+00 -1.472895047e+00 3.68 -1.439248759e+00 -1.439248759e+00 3.70 -1.406199568e+00 -1.406199568e+00 3.72 -1.373747848e+00 -1.373747848e+00 3.74 -1.341893076e+00 -1.341893076e+00 3.76 -1.310633901e+00 -1.310633901e+00 3.78 -1.279968211e+00 -1.279968211e+00 3.80 -1.249893201e+00 -1.249893201e+00 3.82 -1.220405429e+00 -1.220405429e+00 3.84 -1.191500872e+00 -1.191500872e+00 3.86 -1.101143147e+00 -1.101143147e+00 3.88 -1.075885470e+00 -1.075885470e+00 3.90 -1.051095808e+00 -1.051095808e+00 3.92 -1.026772298e+00 -1.026772298e+00 3.94 -1.002912569e+00 -1.002912569e+00 3.96 -9.795137888e-01 -9.795137888e-01 3.98 -9.565726994e-01 -9.565726994e-01 4.00 -9.340856587e-01 -9.340856587e-01 4.02 -9.120486735e-01 -9.120486735e-01 4.04 -8.904574330e-01 -8.904574330e-01 4.06 -8.693073395e-01 -8.693073395e-01 4.08 -8.485935372e-01 -8.485935372e-01 4.10 -8.283109393e-01 -8.283109393e-01 4.12 -8.084542528e-01 -8.084542528e-01 4.14 -7.890180023e-01 -7.890180023e-01 4.16 -7.699965517e-01 -7.699965517e-01 4.18 -7.513841248e-01 -7.513841248e-01 4.20 -7.331748238e-01 -7.331748238e-01 4.22 -7.153626478e-01 -7.153626478e-01 4.24 -6.979415085e-01 -6.979415085e-01 4.26 -6.809052460e-01 -6.809052460e-01 4.28 -6.642476427e-01 -6.642476427e-01 4.30 -6.479624368e-01 -6.479624368e-01 4.32 -6.320433341e-01 -6.320433341e-01 4.34 -6.164840196e-01 -6.164840196e-01 4.36 -6.012781679e-01 -6.012781679e-01 4.38 -5.864194528e-01 -5.864194528e-01 4.40 -5.719015563e-01 -5.719015563e-01 4.42 -5.577181767e-01 -5.577181767e-01 4.44 -5.438630360e-01 -5.438630360e-01 4.46 -5.303298873e-01 -5.303298873e-01 4.48 -5.171125205e-01 -5.171125205e-01 4.50 -5.042047685e-01 -5.042047685e-01 4.52 -4.916005124e-01 -4.916005124e-01 4.54 -4.792936862e-01 -4.792936862e-01 4.56 -4.672782812e-01 -4.672782812e-01 4.58 -4.555483502e-01 -4.555483502e-01 4.60 -4.440980103e-01 -4.440980103e-01 4.62 -4.329214469e-01 -4.329214469e-01 4.64 -4.220129161e-01 -4.220129161e-01 4.66 -4.113667473e-01 -4.113667473e-01 4.68 -4.009773454e-01 -4.009773454e-01 4.70 -3.908391926e-01 -3.908391926e-01 4.72 -3.809468505e-01 -3.809468505e-01 4.74 -3.712949609e-01 -3.712949609e-01 4.76 -3.618782476e-01 -3.618782476e-01 4.78 -3.526915171e-01 -3.526915171e-01 4.80 -3.437296594e-01 -3.437296594e-01 4.82 -3.349876489e-01 -3.349876489e-01 4.84 -3.264605443e-01 -3.264605443e-01 4.86 -3.181434896e-01 -3.181434896e-01 4.88 -3.100317137e-01 -3.100317137e-01 4.90 -3.021205307e-01 -3.021205307e-01 4.92 -2.944053400e-01 -2.944053400e-01 4.94 -2.868816256e-01 -2.868816256e-01 4.96 -2.795449561e-01 -2.795449561e-01 4.98 -2.723909844e-01 -2.723909844e-01 5.00 -2.654154470e-01 -2.654154470e-01 5.02 -2.586141635e-01 -2.586141635e-01 5.04 -2.519830361e-01 -2.519830361e-01 5.06 -2.455180486e-01 -2.455180486e-01 5.08 -2.392152661e-01 -2.392152661e-01 5.10 -2.330708335e-01 -2.330708335e-01 5.12 -2.270809754e-01 -2.270809754e-01 5.14 -2.212419947e-01 -2.212419947e-01 5.16 -2.155502719e-01 -2.155502719e-01 5.18 -2.100022637e-01 -2.100022637e-01 5.20 -2.045945027e-01 -2.045945027e-01 5.22 -1.993235957e-01 -1.993235957e-01 5.24 -1.941862230e-01 -1.941862230e-01 5.26 -1.891791372e-01 -1.891791372e-01 5.28 -1.842991621e-01 -1.842991621e-01 5.30 -1.795431915e-01 -1.795431915e-01 5.32 -1.749081885e-01 -1.749081885e-01 5.34 -1.703911838e-01 -1.703911838e-01 5.36 -1.659892748e-01 -1.659892748e-01 5.38 -1.616996246e-01 -1.616996246e-01 5.40 -1.575194606e-01 -1.575194606e-01 5.42 -1.534460736e-01 -1.534460736e-01 5.44 -1.494768166e-01 -1.494768166e-01 5.46 -1.163872009e-01 -1.163872009e-01 5.48 -1.134760453e-01 -1.134760453e-01 5.50 -1.106364106e-01 -1.106364106e-01 5.52 -1.078666088e-01 -1.078666088e-01 5.54 -1.051649883e-01 -1.051649883e-01 5.56 -1.025299330e-01 -1.025299330e-01 5.58 -9.995986169e-02 -9.995986169e-02 5.60 -9.745322771e-02 -9.745322771e-02 5.62 -9.500851816e-02 -9.500851816e-02 5.64 -9.262425343e-02 -9.262425343e-02 5.66 -9.029898658e-02 -9.029898658e-02 5.68 -8.803130279e-02 -8.803130279e-02 5.70 -8.581981875e-02 -8.581981875e-02 5.72 -8.366318214e-02 -8.366318214e-02 5.74 -8.156007100e-02 -8.156007100e-02 5.76 -7.950919321e-02 -7.950919321e-02 5.78 -7.750928592e-02 -7.750928592e-02 5.80 -7.555911496e-02 -7.555911496e-02 5.82 -7.365747431e-02 -7.365747431e-02 5.84 -7.180318556e-02 -7.180318556e-02 5.86 -6.999509736e-02 -6.999509736e-02 5.88 -6.823208487e-02 -6.823208487e-02 5.90 -6.651304924e-02 -6.651304924e-02 5.92 -6.483691707e-02 -6.483691707e-02 5.94 -6.320263993e-02 -6.320263993e-02 5.96 -6.160919380e-02 -6.160919380e-02 5.98 -6.005557859e-02 -6.005557859e-02 6.00 -5.854081763e-02 -5.854081763e-02