# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co2FePb # 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 2024-04-11 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 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.236625672e+02 2.236625672e+02 1.30 2.063632645e+02 2.063632645e+02 1.32 1.904126126e+02 1.904126126e+02 1.34 1.756977077e+02 1.756977077e+02 1.36 1.621142606e+02 1.621142606e+02 1.38 1.495670289e+02 1.495670289e+02 1.40 1.379700216e+02 1.379700216e+02 1.42 1.272461397e+02 1.272461397e+02 1.44 1.173261268e+02 1.173261268e+02 1.46 1.081473048e+02 1.081473048e+02 1.48 9.965254669e+01 9.965254669e+01 1.50 9.178945974e+01 9.178945974e+01 1.52 8.450972101e+01 8.450972101e+01 1.54 7.776862283e+01 7.776862283e+01 1.56 7.152484109e+01 7.152484109e+01 1.58 6.574032541e+01 6.574032541e+01 1.60 6.038018835e+01 6.038018835e+01 1.62 5.541256214e+01 5.541256214e+01 1.64 5.080836866e+01 5.080836866e+01 1.66 4.654630566e+01 4.654630566e+01 1.68 4.260774891e+01 4.260774891e+01 1.70 3.896865976e+01 3.896865976e+01 1.72 3.560629612e+01 3.560629612e+01 1.74 3.249918243e+01 3.249918243e+01 1.76 2.962719245e+01 2.962719245e+01 1.78 2.697172158e+01 2.697172158e+01 1.80 2.451584418e+01 2.451584418e+01 1.82 2.224435792e+01 2.224435792e+01 1.84 2.014365447e+01 2.014365447e+01 1.86 1.820146439e+01 1.820146439e+01 1.88 1.640657300e+01 1.640657300e+01 1.90 1.474856362e+01 1.474856362e+01 1.92 1.321763735e+01 1.321763735e+01 1.94 1.180452343e+01 1.180452343e+01 1.96 1.050045742e+01 1.050045742e+01 1.98 9.297195208e+00 9.297195208e+00 2.00 8.187021399e+00 8.187021399e+00 2.02 7.162750928e+00 7.162750928e+00 2.04 6.217733474e+00 6.217733474e+00 2.06 5.345862863e+00 5.345862863e+00 2.08 4.541576731e+00 4.541576731e+00 2.10 3.799836421e+00 3.799836421e+00 2.12 3.116081367e+00 3.116081367e+00 2.14 2.486166720e+00 2.486166720e+00 2.16 1.906302025e+00 1.906302025e+00 2.18 1.373001265e+00 1.373001265e+00 2.20 8.830450344e-01 8.830450344e-01 2.22 4.334527189e-01 4.334527189e-01 2.24 2.145690503e-02 2.145690503e-02 2.26 -3.555206162e-01 -3.555206162e-01 2.28 -6.998940543e-01 -6.998940543e-01 2.30 -1.013928570e+00 -1.013928570e+00 2.32 -1.299760736e+00 -1.299760736e+00 2.34 -1.559402291e+00 -1.559402291e+00 2.36 -1.794747723e+00 -1.794747723e+00 2.38 -2.007573650e+00 -2.007573650e+00 2.40 -2.199537854e+00 -2.199537854e+00 2.42 -2.372179815e+00 -2.372179815e+00 2.44 -2.526951627e+00 -2.526951627e+00 2.46 -2.665244948e+00 -2.665244948e+00 2.48 -2.788184432e+00 -2.788184432e+00 2.50 -2.896816400e+00 -2.896816400e+00 2.52 -2.992136204e+00 -2.992136204e+00 2.54 -3.075095043e+00 -3.075095043e+00 2.56 -3.146607787e+00 -3.146607787e+00 2.58 -3.207558828e+00 -3.207558828e+00 2.60 -3.258783286e+00 -3.258783286e+00 2.62 -3.300959456e+00 -3.300959456e+00 2.64 -3.334702531e+00 -3.334702531e+00 2.66 -3.360595047e+00 -3.360595047e+00 2.68 -3.379174039e+00 -3.379174039e+00 2.70 -3.390925080e+00 -3.390925080e+00 2.72 -3.396285346e+00 -3.396285346e+00 2.74 -3.395651262e+00 -3.395651262e+00 2.76 -3.389353427e+00 -3.389353427e+00 2.78 -3.377609278e+00 -3.377609278e+00 2.80 -3.360631815e+00 -3.360631815e+00 2.82 -3.338649561e+00 -3.338649561e+00 2.84 -3.311907379e+00 -3.311907379e+00 2.86 -3.280665403e+00 -3.280665403e+00 2.88 -3.245197794e+00 -3.245197794e+00 2.90 -3.205790955e+00 -3.205790955e+00 2.92 -3.162785619e+00 -3.162785619e+00 2.94 -3.116465860e+00 -3.116465860e+00 2.96 -3.067078667e+00 -3.067078667e+00 2.98 -3.014900738e+00 -3.014900738e+00 3.00 -2.960231616e+00 -2.960231616e+00 3.02 -2.903386303e+00 -2.903386303e+00 3.04 -2.844685261e+00 -2.844685261e+00 3.06 -2.784436945e+00 -2.784436945e+00 3.08 -2.722927508e+00 -2.722927508e+00 3.10 -2.660427090e+00 -2.660427090e+00 3.12 -2.597182756e+00 -2.597182756e+00 3.14 -2.533420986e+00 -2.533420986e+00 3.16 -2.469346869e+00 -2.469346869e+00 3.18 -2.405153953e+00 -2.405153953e+00 3.20 -2.341029664e+00 -2.341029664e+00 3.22 -2.277159698e+00 -2.277159698e+00 3.24 -2.213729571e+00 -2.213729571e+00 3.26 -2.150923405e+00 -2.150923405e+00 3.28 -2.088920574e+00 -2.088920574e+00 3.30 -2.027891105e+00 -2.027891105e+00 3.32 -1.967990654e+00 -1.967990654e+00 3.34 -1.909355806e+00 -1.909355806e+00 3.36 -1.852100238e+00 -1.852100238e+00 3.38 -1.796312162e+00 -1.796312162e+00 3.40 -1.742053050e+00 -1.742053050e+00 3.42 -1.689359037e+00 -1.689359037e+00 3.44 -1.638241298e+00 -1.638241298e+00 3.46 -1.588690007e+00 -1.588690007e+00 3.48 -1.540677667e+00 -1.540677667e+00 3.50 -1.494163018e+00 -1.494163018e+00 3.52 -1.449094907e+00 -1.449094907e+00 3.54 -1.405415873e+00 -1.405415873e+00 3.56 -1.363065304e+00 -1.363065304e+00 3.58 -1.321982095e+00 -1.321982095e+00 3.60 -1.282106812e+00 -1.282106812e+00 3.62 -1.243383392e+00 -1.243383392e+00 3.64 -1.205760409e+00 -1.205760409e+00 3.66 -1.169191938e+00 -1.169191938e+00 3.68 -1.133638011e+00 -1.133638011e+00 3.70 -1.099064661e+00 -1.099064661e+00 3.72 -1.065443546e+00 -1.065443546e+00 3.74 -1.032751186e+00 -1.032751186e+00 3.76 -1.000967889e+00 -1.000967889e+00 3.78 -9.700764718e-01 -9.700764718e-01 3.80 -9.400609646e-01 -9.400609646e-01 3.82 -9.109054300e-01 -9.109054300e-01 3.84 -8.825930458e-01 -8.825930458e-01 3.86 -8.551055133e-01 -8.551055133e-01 3.88 -8.284227971e-01 -8.284227971e-01 3.90 -8.025231466e-01 -8.025231466e-01 3.92 -7.773828865e-01 -7.773828865e-01 3.94 -7.529785501e-01 -7.529785501e-01 3.96 -7.292844104e-01 -7.292844104e-01 3.98 -7.062748331e-01 -7.062748331e-01 4.00 -6.839240668e-01 -6.839240668e-01 4.02 -6.622065253e-01 -6.622065253e-01 4.04 -6.410970462e-01 -6.410970462e-01 4.06 -6.205711477e-01 -6.205711477e-01 4.08 -6.006053098e-01 -6.006053098e-01 4.10 -5.811763006e-01 -5.811763006e-01 4.12 -5.622657304e-01 -5.622657304e-01 4.14 -5.438539181e-01 -5.438539181e-01 4.16 -5.259249703e-01 -5.259249703e-01 4.18 -5.084660122e-01 -5.084660122e-01 4.20 -4.914675617e-01 -4.914675617e-01 4.22 -4.749237373e-01 -4.749237373e-01 4.24 -4.588322132e-01 -4.588322132e-01 4.26 -4.431938454e-01 -4.431938454e-01 4.28 -4.280119397e-01 -4.280119397e-01 4.30 -4.132911873e-01 -4.132911873e-01 4.32 -3.990363719e-01 -3.990363719e-01 4.34 -3.852510064e-01 -3.852510064e-01 4.36 -3.719360878e-01 -3.719360878e-01 4.38 -3.590891422e-01 -3.590891422e-01 4.40 -3.467036778e-01 -3.467036778e-01 4.42 -3.347690793e-01 -3.347690793e-01 4.44 -3.232709010e-01 -3.232709010e-01 4.46 -3.121914548e-01 -3.121914548e-01 4.48 -3.015105641e-01 -3.015105641e-01 4.50 -2.912063587e-01 -2.912063587e-01 4.52 -2.812560141e-01 -2.812560141e-01 4.54 -2.716363751e-01 -2.716363751e-01 4.56 -2.623244377e-01 -2.623244377e-01 4.58 -2.532976936e-01 -2.532976936e-01 4.60 -2.445343591e-01 -2.445343591e-01 4.62 -2.360135200e-01 -2.360135200e-01 4.64 -2.277152266e-01 -2.277152266e-01 4.66 -2.196205732e-01 -2.196205732e-01 4.68 -2.117117898e-01 -2.117117898e-01 4.70 -2.039723702e-01 -2.039723702e-01 4.72 -1.963872533e-01 -1.963872533e-01 4.74 -1.889430675e-01 -1.889430675e-01 4.76 -1.816284378e-01 -1.816284378e-01 4.78 -1.744343477e-01 -1.744343477e-01 4.80 -1.673537544e-01 -1.673537544e-01 4.82 -1.603852080e-01 -1.603852080e-01 4.84 -1.535281330e-01 -1.535281330e-01 4.86 -1.467865710e-01 -1.467865710e-01 4.88 -1.401682979e-01 -1.401682979e-01 4.90 -1.336846300e-01 -1.336846300e-01 4.92 -1.273499578e-01 -1.273499578e-01 4.94 -1.211809937e-01 -1.211809937e-01 4.96 -1.151957702e-01 -1.151957702e-01 4.98 -1.094124611e-01 -1.094124611e-01 5.00 -1.038481382e-01 -1.038481382e-01 5.02 -9.851759787e-02 -9.851759787e-02 5.04 -9.343238708e-02 -9.343238708e-02 5.06 -8.860012785e-02 -8.860012785e-02 5.08 -8.402383434e-02 -8.402383434e-02 5.10 -7.970243977e-02 -7.970243977e-02 5.12 -7.563172414e-02 -7.563172414e-02 5.14 -7.180404738e-02 -7.180404738e-02 5.16 -6.820912841e-02 -6.820912841e-02 5.18 -6.483487441e-02 -6.483487441e-02 5.20 -6.166816370e-02 -6.166816370e-02 5.22 -5.869552510e-02 -5.869552510e-02 5.24 -5.590367555e-02 -5.590367555e-02 5.26 -5.327990549e-02 -5.327990549e-02 5.28 -5.081231845e-02 -5.081231845e-02 5.30 -4.848993109e-02 -4.848993109e-02 5.32 -4.630249699e-02 -4.630249699e-02 5.34 -4.424091013e-02 -4.424091013e-02 5.36 -4.229691656e-02 -4.229691656e-02 5.38 -4.046287892e-02 -4.046287892e-02 5.40 -3.873166363e-02 -3.873166363e-02 5.42 -3.709653948e-02 -3.709653948e-02 5.44 -3.555109586e-02 -3.555109586e-02 5.46 -3.408918402e-02 -3.408918402e-02 5.48 -3.270488065e-02 -3.270488065e-02 5.50 -3.139247089e-02 -3.139247089e-02 5.52 -3.014644605e-02 -3.014644605e-02 5.54 -2.896151122e-02 -2.896151122e-02 5.56 -2.783259821e-02 -2.783259821e-02 5.58 -2.675488006e-02 -2.675488006e-02 5.60 -2.572378453e-02 -2.572378453e-02 5.62 -2.473500485e-02 -2.473500485e-02 5.64 -2.378450685e-02 -2.378450685e-02 5.66 -2.286853274e-02 -2.286853274e-02 5.68 -2.198360185e-02 -2.198360185e-02 5.70 -2.112650910e-02 -2.112650910e-02 5.72 -2.029432221e-02 -2.029432221e-02 5.74 -1.948437843e-02 -1.948437843e-02 5.76 -1.869428175e-02 -1.869428175e-02 5.78 -1.792190114e-02 -1.792190114e-02 5.80 -1.716537023e-02 -1.716537023e-02 5.82 -1.642308861e-02 -1.642308861e-02 5.84 -1.569372458e-02 -1.569372458e-02 5.86 -1.497621894e-02 -1.497621894e-02 5.88 -1.426978915e-02 -1.426978915e-02 5.90 -1.357393282e-02 -1.357393282e-02 5.92 -1.288842941e-02 -1.288842941e-02 5.94 -1.221332810e-02 -1.221332810e-02 5.96 -1.154890338e-02 -1.154890338e-02 5.98 -1.089575691e-02 -1.089575691e-02 6.00 -1.025474524e-02 -1.025474524e-02