# 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 = CoCu2Pd # 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 1.494622192e+02 1.494622192e+02 1.30 1.374910670e+02 1.374910670e+02 1.32 1.264460251e+02 1.264460251e+02 1.34 1.162543188e+02 1.162543188e+02 1.36 1.068476098e+02 1.068476098e+02 1.38 9.816087340e+01 9.816087340e+01 1.40 9.013310438e+01 9.013310438e+01 1.42 8.270880429e+01 8.270880429e+01 1.44 7.583882715e+01 7.583882715e+01 1.46 6.947996431e+01 6.947996431e+01 1.48 6.359372415e+01 6.359372415e+01 1.50 5.814509064e+01 5.814509064e+01 1.52 5.310154763e+01 5.310154763e+01 1.54 4.843236308e+01 4.843236308e+01 1.56 4.410823653e+01 4.410823653e+01 1.58 4.010546994e+01 4.010546994e+01 1.60 3.641393690e+01 3.641393690e+01 1.62 3.300967483e+01 3.300967483e+01 1.64 2.987005763e+01 2.987005763e+01 1.66 2.697536113e+01 2.697536113e+01 1.68 2.430804381e+01 2.430804381e+01 1.70 2.185204933e+01 2.185204933e+01 1.72 1.959225361e+01 1.959225361e+01 1.74 1.751416348e+01 1.751416348e+01 1.76 1.560389837e+01 1.560389837e+01 1.78 1.384834739e+01 1.384834739e+01 1.80 1.223532055e+01 1.223532055e+01 1.82 1.075358647e+01 1.075358647e+01 1.84 9.392806350e+00 9.392806350e+00 1.86 8.143432023e+00 8.143432023e+00 1.88 6.996625737e+00 6.996625737e+00 1.90 5.944221213e+00 5.944221213e+00 1.92 4.978714368e+00 4.978714368e+00 1.94 4.093262208e+00 4.093262208e+00 1.96 3.281672678e+00 3.281672678e+00 1.98 2.538376443e+00 2.538376443e+00 2.00 1.858377473e+00 1.858377473e+00 2.02 1.237181004e+00 1.237181004e+00 2.04 6.707012659e-01 6.707012659e-01 2.06 1.551626021e-01 1.551626021e-01 2.08 -3.129833525e-01 -3.129833525e-01 2.10 -7.371076570e-01 -7.371076570e-01 2.12 -1.120420992e+00 -1.120420992e+00 2.14 -1.465970077e+00 -1.465970077e+00 2.16 -1.776628151e+00 -1.776628151e+00 2.18 -2.055088891e+00 -2.055088891e+00 2.20 -2.303867062e+00 -2.303867062e+00 2.22 -2.525305514e+00 -2.525305514e+00 2.24 -2.721587531e+00 -2.721587531e+00 2.26 -2.894754739e+00 -2.894754739e+00 2.28 -3.046730719e+00 -3.046730719e+00 2.30 -3.179345980e+00 -3.179345980e+00 2.32 -3.294353703e+00 -3.294353703e+00 2.34 -3.393425470e+00 -3.393425470e+00 2.36 -3.478156285e+00 -3.478156285e+00 2.38 -3.549985981e+00 -3.549985981e+00 2.40 -3.610115144e+00 -3.610115144e+00 2.42 -3.659602179e+00 -3.659602179e+00 2.44 -3.699384410e+00 -3.699384410e+00 2.46 -3.730574498e+00 -3.730574498e+00 2.48 -3.754068224e+00 -3.754068224e+00 2.50 -3.770382904e+00 -3.770382904e+00 2.52 -3.780042252e+00 -3.780042252e+00 2.54 -3.783962966e+00 -3.783962966e+00 2.56 -3.782258607e+00 -3.782258607e+00 2.58 -3.774849947e+00 -3.774849947e+00 2.60 -3.761753966e+00 -3.761753966e+00 2.62 -3.743092497e+00 -3.743092497e+00 2.64 -3.719078752e+00 -3.719078752e+00 2.66 -3.689971408e+00 -3.689971408e+00 2.68 -3.656079813e+00 -3.656079813e+00 2.70 -3.617804995e+00 -3.617804995e+00 2.72 -3.575582228e+00 -3.575582228e+00 2.74 -3.529849387e+00 -3.529849387e+00 2.76 -3.481032030e+00 -3.481032030e+00 2.78 -3.429526860e+00 -3.429526860e+00 2.80 -3.375689104e+00 -3.375689104e+00 2.82 -3.319828079e+00 -3.319828079e+00 2.84 -3.262211928e+00 -3.262211928e+00 2.86 -3.203079107e+00 -3.203079107e+00 2.88 -3.142652404e+00 -3.142652404e+00 2.90 -3.081151134e+00 -3.081151134e+00 2.92 -3.018798557e+00 -3.018798557e+00 2.94 -2.955823498e+00 -2.955823498e+00 2.96 -2.892457049e+00 -2.892457049e+00 2.98 -2.828926411e+00 -2.828926411e+00 3.00 -2.765448059e+00 -2.765448059e+00 3.02 -2.702221744e+00 -2.702221744e+00 3.04 -2.639425778e+00 -2.639425778e+00 3.06 -2.577213428e+00 -2.577213428e+00 3.08 -2.515710250e+00 -2.515710250e+00 3.10 -2.455012576e+00 -2.455012576e+00 3.12 -2.395187639e+00 -2.395187639e+00 3.14 -2.336275591e+00 -2.336275591e+00 3.16 -2.278293203e+00 -2.278293203e+00 3.18 -2.221238618e+00 -2.221238618e+00 3.20 -2.165096386e+00 -2.165096386e+00 3.22 -2.109842214e+00 -2.109842214e+00 3.24 -2.055447142e+00 -2.055447142e+00 3.26 -2.001881051e+00 -2.001881051e+00 3.28 -1.949115553e+00 -1.949115553e+00 3.30 -1.897126290e+00 -1.897126290e+00 3.32 -1.845894651e+00 -1.845894651e+00 3.34 -1.795408867e+00 -1.795408867e+00 3.36 -1.745664460e+00 -1.745664460e+00 3.38 -1.696664012e+00 -1.696664012e+00 3.40 -1.648416340e+00 -1.648416340e+00 3.42 -1.600935146e+00 -1.600935146e+00 3.44 -1.554237324e+00 -1.554237324e+00 3.46 -1.508341096e+00 -1.508341096e+00 3.48 -1.463264159e+00 -1.463264159e+00 3.50 -1.419021995e+00 -1.419021995e+00 3.52 -1.375626477e+00 -1.375626477e+00 3.54 -1.333084840e+00 -1.333084840e+00 3.56 -1.291399068e+00 -1.291399068e+00 3.58 -1.250565706e+00 -1.250565706e+00 3.60 -1.210576116e+00 -1.210576116e+00 3.62 -1.171417140e+00 -1.171417140e+00 3.64 -1.133072165e+00 -1.133072165e+00 3.66 -1.095522556e+00 -1.095522556e+00 3.68 -1.058749380e+00 -1.058749380e+00 3.70 -1.022735345e+00 -1.022735345e+00 3.72 -9.874668023e-01 -9.874668023e-01 3.74 -9.529356026e-01 -9.529356026e-01 3.76 -9.191405847e-01 -9.191405847e-01 3.78 -8.860884102e-01 -8.860884102e-01 3.80 -8.537935187e-01 -8.537935187e-01 3.82 -8.222770473e-01 -8.222770473e-01 3.84 -7.915647152e-01 -7.915647152e-01 3.86 -7.616838603e-01 -7.616838603e-01 3.88 -7.326599961e-01 -7.326599961e-01 3.90 -7.045133846e-01 -7.045133846e-01 3.92 -6.772561381e-01 -6.772561381e-01 3.94 -6.508902705e-01 -6.508902705e-01 3.96 -6.254069293e-01 -6.254069293e-01 3.98 -6.007868201e-01 -6.007868201e-01 4.00 -5.770016284e-01 -5.770016284e-01 4.02 -5.540161107e-01 -5.540161107e-01 4.04 -5.317904798e-01 -5.317904798e-01 4.06 -5.102827311e-01 -5.102827311e-01 4.08 -4.894506460e-01 -4.894506460e-01 4.10 -4.692533091e-01 -4.692533091e-01 4.12 -4.496520991e-01 -4.496520991e-01 4.14 -4.306111970e-01 -4.306111970e-01 4.16 -4.120977478e-01 -4.120977478e-01 4.18 -3.940818314e-01 -3.940818314e-01 4.20 -3.765364116e-01 -3.765364116e-01 4.22 -3.594373925e-01 -3.594373925e-01 4.24 -3.427638538e-01 -3.427638538e-01 4.26 -3.264984681e-01 -3.264984681e-01 4.28 -3.106280441e-01 -3.106280441e-01 4.30 -2.951440936e-01 -2.951440936e-01 4.32 -2.800433096e-01 -2.800433096e-01 4.34 -2.653278392e-01 -2.653278392e-01 4.36 -2.510052564e-01 -2.510052564e-01 4.38 -2.370881600e-01 -2.370881600e-01 4.40 -2.235933563e-01 -2.235933563e-01 4.42 -2.105406235e-01 -2.105406235e-01 4.44 -1.979511121e-01 -1.979511121e-01 4.46 -1.858454923e-01 -1.858454923e-01 4.48 -1.742420226e-01 -1.742420226e-01 4.50 -1.631547468e-01 -1.631547468e-01 4.52 -1.525920312e-01 -1.525920312e-01 4.54 -1.425556188e-01 -1.425556188e-01 4.56 -1.330403014e-01 -1.330403014e-01 4.58 -1.240342287e-01 -1.240342287e-01 4.60 -1.155197698e-01 -1.155197698e-01 4.62 -1.074748130e-01 -1.074748130e-01 4.64 -9.987430617e-02 -9.987430617e-02 4.66 -9.269185560e-02 -9.269185560e-02 4.68 -8.590120177e-02 -8.590120177e-02 4.70 -7.947746932e-02 -7.947746932e-02 4.72 -7.339793252e-02 -7.339793252e-02 4.74 -6.764278589e-02 -6.764278589e-02 4.76 -6.219571933e-02 -6.219571933e-02 4.78 -5.704332884e-02 -5.704332884e-02 4.80 -5.217485613e-02 -5.217485613e-02 4.82 -4.758177097e-02 -4.758177097e-02 4.84 -4.325726671e-02 -4.325726671e-02 4.86 -3.919574690e-02 -3.919574690e-02 4.88 -3.539234973e-02 -3.539234973e-02 4.90 -3.184253697e-02 -3.184253697e-02 4.92 -2.854175041e-02 -2.854175041e-02 4.94 -2.548512556e-02 -2.548512556e-02 4.96 -2.266724814e-02 -2.266724814e-02 4.98 -2.008194291e-02 -2.008194291e-02 5.00 -1.772209884e-02 -1.772209884e-02 5.02 -1.557953816e-02 -1.557953816e-02 5.04 -1.364494615e-02 -1.364494615e-02 5.06 -1.190768650e-02 -1.190768650e-02 5.08 -1.035615845e-02 -1.035615845e-02 5.10 -8.978231638e-03 -8.978231638e-03 5.12 -7.761038414e-03 -7.761038414e-03 5.14 -6.691277607e-03 -6.691277607e-03 5.16 -5.755529910e-03 -5.755529910e-03 5.18 -4.940554895e-03 -4.940554895e-03 5.20 -4.233550178e-03 -4.233550178e-03 5.22 -3.622360385e-03 -3.622360385e-03 5.24 -3.095630765e-03 -3.095630765e-03 5.26 -2.642906432e-03 -2.642906432e-03 5.28 -2.254682616e-03 -2.254682616e-03 5.30 -1.922413856e-03 -1.922413856e-03 5.32 -1.638491091e-03 -1.638491091e-03 5.34 -1.396195440e-03 -1.396195440e-03 5.36 -1.189636519e-03 -1.189636519e-03 5.38 -1.013681885e-03 -1.013681885e-03 5.40 -8.638827628e-04 -8.638827628e-04 5.42 -7.363999240e-04 -7.363999240e-04 5.44 -6.279323738e-04 -6.279323738e-04 5.46 -5.356505982e-04 -5.356505982e-04 5.48 -4.571353545e-04 -4.571353545e-04 5.50 -3.903224469e-04 -3.903224469e-04 5.52 -3.334535393e-04 -3.334535393e-04 5.54 -2.850327955e-04 -2.850327955e-04 5.56 -2.437889739e-04 -2.437889739e-04 5.58 -2.086425153e-04 -2.086425153e-04 5.60 -1.786771246e-04 -1.786771246e-04 5.62 -1.531153421e-04 -1.531153421e-04 5.64 -1.312976232e-04 -1.312976232e-04 5.66 -1.126644741e-04 -1.126644741e-04 5.68 -9.674123506e-05 -9.674123506e-05 5.70 -8.312514322e-05 -8.312514322e-05 5.72 -7.147434988e-05 -7.147434988e-05 5.74 -6.149860835e-05 -6.149860835e-05 5.76 -5.295138487e-05 -5.295138487e-05 5.78 -4.562317956e-05 -4.562317956e-05 5.80 -3.933587428e-05 -3.933587428e-05 5.82 -3.393795056e-05 -3.393795056e-05 5.84 -2.930044426e-05 -2.930044426e-05 5.86 -2.531352332e-05 -2.531352332e-05 5.88 -2.188359224e-05 -2.188359224e-05 5.90 -1.893084168e-05 -1.893084168e-05 5.92 -1.638717418e-05 -1.638717418e-05 5.94 -1.419444761e-05 -1.419444761e-05 5.96 -1.230298700e-05 -1.230298700e-05 5.98 -1.067032329e-05 -1.067032329e-05 6.00 -9.260123731e-06 -9.260123731e-06