# 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 = CoCuPd2 # 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 2.064484801e+02 2.064484801e+02 1.30 1.905276320e+02 1.905276320e+02 1.32 1.758054466e+02 1.758054466e+02 1.34 1.621886506e+02 1.621886506e+02 1.36 1.495902765e+02 1.495902765e+02 1.38 1.379281174e+02 1.379281174e+02 1.40 1.271250604e+02 1.271250604e+02 1.42 1.171101215e+02 1.171101215e+02 1.44 1.078194762e+02 1.078194762e+02 1.46 9.919699384e+01 9.919699384e+01 1.48 9.119351347e+01 9.119351347e+01 1.50 8.376483865e+01 8.376483865e+01 1.52 7.686957731e+01 7.686957731e+01 1.54 7.046792081e+01 7.046792081e+01 1.56 6.452149039e+01 6.452149039e+01 1.58 5.899378334e+01 5.899378334e+01 1.60 5.385083494e+01 5.385083494e+01 1.62 4.906356556e+01 4.906356556e+01 1.64 4.463388765e+01 4.463388765e+01 1.66 4.054550482e+01 4.054550482e+01 1.68 3.677365829e+01 3.677365829e+01 1.70 3.329587380e+01 3.329587380e+01 1.72 3.009112689e+01 3.009112689e+01 1.74 2.713944701e+01 2.713944701e+01 1.76 2.442189827e+01 2.442189827e+01 1.78 2.192073374e+01 2.192073374e+01 1.80 1.961951813e+01 1.961951813e+01 1.82 1.750311904e+01 1.750311904e+01 1.84 1.555757289e+01 1.555757289e+01 1.86 1.376988339e+01 1.376988339e+01 1.88 1.212783074e+01 1.212783074e+01 1.90 1.061987341e+01 1.061987341e+01 1.92 9.235187026e+00 9.235187026e+00 1.94 7.963801474e+00 7.963801474e+00 1.96 6.796727168e+00 6.796727168e+00 1.98 5.725968439e+00 5.725968439e+00 2.00 4.744403969e+00 4.744403969e+00 2.02 3.845597131e+00 3.845597131e+00 2.04 3.023617802e+00 3.023617802e+00 2.06 2.272920082e+00 2.272920082e+00 2.08 1.588278405e+00 1.588278405e+00 2.10 9.647654657e-01 9.647654657e-01 2.12 3.977533841e-01 3.977533841e-01 2.14 -1.170770195e-01 -1.170770195e-01 2.16 -5.837291052e-01 -5.837291052e-01 2.18 -1.005890654e+00 -1.005890654e+00 2.20 -1.386942833e+00 -1.386942833e+00 2.22 -1.729977305e+00 -1.729977305e+00 2.24 -2.037820244e+00 -2.037820244e+00 2.26 -2.313062333e+00 -2.313062333e+00 2.28 -2.558093975e+00 -2.558093975e+00 2.30 -2.775143289e+00 -2.775143289e+00 2.32 -2.966311350e+00 -2.966311350e+00 2.34 -3.133597766e+00 -3.133597766e+00 2.36 -3.278912866e+00 -3.278912866e+00 2.38 -3.404078948e+00 -3.404078948e+00 2.40 -3.510827541e+00 -3.510827541e+00 2.42 -3.600799299e+00 -3.600799299e+00 2.44 -3.675577624e+00 -3.675577624e+00 2.46 -3.736651086e+00 -3.736651086e+00 2.48 -3.785363851e+00 -3.785363851e+00 2.50 -3.822988672e+00 -3.822988672e+00 2.52 -3.850951378e+00 -3.850951378e+00 2.54 -3.870907068e+00 -3.870907068e+00 2.56 -3.883442529e+00 -3.883442529e+00 2.58 -3.889248739e+00 -3.889248739e+00 2.60 -3.888674996e+00 -3.888674996e+00 2.62 -3.881793979e+00 -3.881793979e+00 2.64 -3.868733282e+00 -3.868733282e+00 2.66 -3.849668639e+00 -3.849668639e+00 2.68 -3.824840456e+00 -3.824840456e+00 2.70 -3.794600265e+00 -3.794600265e+00 2.72 -3.759319210e+00 -3.759319210e+00 2.74 -3.719386621e+00 -3.719386621e+00 2.76 -3.675198546e+00 -3.675198546e+00 2.78 -3.627134767e+00 -3.627134767e+00 2.80 -3.575557189e+00 -3.575557189e+00 2.82 -3.520812627e+00 -3.520812627e+00 2.84 -3.463239709e+00 -3.463239709e+00 2.86 -3.403178225e+00 -3.403178225e+00 2.88 -3.340977844e+00 -3.340977844e+00 2.90 -3.277002809e+00 -3.277002809e+00 2.92 -3.211630251e+00 -3.211630251e+00 2.94 -3.145241684e+00 -3.145241684e+00 2.96 -3.078209503e+00 -3.078209503e+00 2.98 -3.010881949e+00 -3.010881949e+00 3.00 -2.943570237e+00 -2.943570237e+00 3.02 -2.876540330e+00 -2.876540330e+00 3.04 -2.810009861e+00 -2.810009861e+00 3.06 -2.744149168e+00 -2.744149168e+00 3.08 -2.679084846e+00 -2.679084846e+00 3.10 -2.614904612e+00 -2.614904612e+00 3.12 -2.551662913e+00 -2.551662913e+00 3.14 -2.489387000e+00 -2.489387000e+00 3.16 -2.428083194e+00 -2.428083194e+00 3.18 -2.367742928e+00 -2.367742928e+00 3.20 -2.308348139e+00 -2.308348139e+00 3.22 -2.249875762e+00 -2.249875762e+00 3.24 -2.192301281e+00 -2.192301281e+00 3.26 -2.135601469e+00 -2.135601469e+00 3.28 -2.079756437e+00 -2.079756437e+00 3.30 -2.024751152e+00 -2.024751152e+00 3.32 -1.970576437e+00 -1.970576437e+00 3.34 -1.917229491e+00 -1.917229491e+00 3.36 -1.864713878e+00 -1.864713878e+00 3.38 -1.813039016e+00 -1.813039016e+00 3.40 -1.762219204e+00 -1.762219204e+00 3.42 -1.712272277e+00 -1.712272277e+00 3.44 -1.663218038e+00 -1.663218038e+00 3.46 -1.615076591e+00 -1.615076591e+00 3.48 -1.567866746e+00 -1.567866746e+00 3.50 -1.521604586e+00 -1.521604586e+00 3.52 -1.476302289e+00 -1.476302289e+00 3.54 -1.431967262e+00 -1.431967262e+00 3.56 -1.388601592e+00 -1.388601592e+00 3.58 -1.346201826e+00 -1.346201826e+00 3.60 -1.304759071e+00 -1.304759071e+00 3.62 -1.264259389e+00 -1.264259389e+00 3.64 -1.224684486e+00 -1.224684486e+00 3.66 -1.186012640e+00 -1.186012640e+00 3.68 -1.148219869e+00 -1.148219869e+00 3.70 -1.111281238e+00 -1.111281238e+00 3.72 -1.075172248e+00 -1.075172248e+00 3.74 -1.039870181e+00 -1.039870181e+00 3.76 -1.005355252e+00 -1.005355252e+00 3.78 -9.716114319e-01 -9.716114319e-01 3.80 -9.386268002e-01 -9.386268002e-01 3.82 -9.063933404e-01 -9.063933404e-01 3.84 -8.749061853e-01 -8.749061853e-01 3.86 -8.441624047e-01 -8.441624047e-01 3.88 -8.141595373e-01 -8.141595373e-01 3.90 -7.848941276e-01 -7.848941276e-01 3.92 -7.563605454e-01 -7.563605454e-01 3.94 -7.285503101e-01 -7.285503101e-01 3.96 -7.014520406e-01 -7.014520406e-01 3.98 -6.750520288e-01 -6.750520288e-01 4.00 -6.493353070e-01 -6.493353070e-01 4.02 -6.242869975e-01 -6.242869975e-01 4.04 -5.998936830e-01 -5.998936830e-01 4.06 -5.761445459e-01 -5.761445459e-01 4.08 -5.530320691e-01 -5.530320691e-01 4.10 -5.305521684e-01 -5.305521684e-01 4.12 -5.087037368e-01 -5.087037368e-01 4.14 -4.874876705e-01 -4.874876705e-01 4.16 -4.669055624e-01 -4.669055624e-01 4.18 -4.469582872e-01 -4.469582872e-01 4.20 -4.276447252e-01 -4.276447252e-01 4.22 -4.089608267e-01 -4.089608267e-01 4.24 -3.908991353e-01 -3.908991353e-01 4.26 -3.734487922e-01 -3.734487922e-01 4.28 -3.565959451e-01 -3.565959451e-01 4.30 -3.403244333e-01 -3.403244333e-01 4.32 -3.246165928e-01 -3.246165928e-01 4.34 -3.094540436e-01 -3.094540436e-01 4.36 -2.948183528e-01 -2.948183528e-01 4.38 -2.806915069e-01 -2.806915069e-01 4.40 -2.670561574e-01 -2.670561574e-01 4.42 -2.538956400e-01 -2.538956400e-01 4.44 -2.411937877e-01 -2.411937877e-01 4.46 -2.289345939e-01 -2.289345939e-01 4.48 -2.171018056e-01 -2.171018056e-01 4.50 -2.056785475e-01 -2.056785475e-01 4.52 -1.946470816e-01 -1.946470816e-01 4.54 -1.839887913e-01 -1.839887913e-01 4.56 -1.736844423e-01 -1.736844423e-01 4.58 -1.637147265e-01 -1.637147265e-01 4.60 -1.540610462e-01 -1.540610462e-01 4.62 -1.447064530e-01 -1.447064530e-01 4.64 -1.356366292e-01 -1.356366292e-01 4.66 -1.268407861e-01 -1.268407861e-01 4.68 -1.183123605e-01 -1.183123605e-01 4.70 -1.100494143e-01 -1.100494143e-01 4.72 -1.020546656e-01 -1.020546656e-01 4.74 -9.433513507e-02 -9.433513507e-02 4.76 -8.690143119e-02 -8.690143119e-02 4.78 -7.976673699e-02 -7.976673699e-02 4.80 -7.294560305e-02 -7.294560305e-02 4.82 -6.645267361e-02 -6.645267361e-02 4.84 -6.030147332e-02 -6.030147332e-02 4.86 -5.450335906e-02 -5.450335906e-02 4.88 -4.906671700e-02 -4.906671700e-02 4.90 -4.399644170e-02 -4.399644170e-02 4.92 -3.929368895e-02 -3.929368895e-02 4.94 -3.495586433e-02 -3.495586433e-02 4.96 -3.097678270e-02 -3.097678270e-02 4.98 -2.734684005e-02 -2.734684005e-02 5.00 -2.405365469e-02 -2.405365469e-02 5.02 -2.108237744e-02 -2.108237744e-02 5.04 -1.841582765e-02 -1.841582765e-02 5.06 -1.603528928e-02 -1.603528928e-02 5.08 -1.392116629e-02 -1.392116629e-02 5.10 -1.205298380e-02 -1.205298380e-02 5.12 -1.040988301e-02 -1.040988301e-02 5.14 -8.971076930e-03 -8.971076930e-03 5.16 -7.716251647e-03 -7.716251647e-03 5.18 -6.625902338e-03 -6.625902338e-03 5.20 -5.681597130e-03 -5.681597130e-03 5.22 -4.866166941e-03 -4.866166941e-03 5.24 -4.163824498e-03 -4.163824498e-03 5.26 -3.560219922e-03 -3.560219922e-03 5.28 -3.042442898e-03 -3.042442898e-03 5.30 -2.598982698e-03 -2.598982698e-03 5.32 -2.219657218e-03 -2.219657218e-03 5.34 -1.895521222e-03 -1.895521222e-03 5.36 -1.618762492e-03 -1.618762492e-03 5.38 -1.382592834e-03 -1.382592834e-03 5.40 -1.181139246e-03 -1.181139246e-03 5.42 -1.009339010e-03 -1.009339010e-03 5.44 -8.628411883e-04 -8.628411883e-04 5.46 -7.379160027e-04 -7.379160027e-04 5.48 -6.313727843e-04 -6.313727843e-04 5.50 -5.404866320e-04 -5.404866320e-04 5.52 -4.629335292e-04 -4.629335292e-04 5.54 -3.967334269e-04 -3.967334269e-04 5.56 -3.402006556e-04 -3.402006556e-04 5.58 -2.919009668e-04 -2.919009668e-04 5.60 -2.506144883e-04 -2.506144883e-04 5.62 -2.153038999e-04 -2.153038999e-04 5.64 -1.850871777e-04 -1.850871777e-04 5.66 -1.592143092e-04 -1.592143092e-04 5.68 -1.370474400e-04 -1.370474400e-04 5.70 -1.180439741e-04 -1.180439741e-04 5.72 -1.017422051e-04 -1.017422051e-04 5.74 -8.774911144e-05 -8.774911144e-05 5.76 -7.572999738e-05 -7.572999738e-05 5.78 -6.539970382e-05 -6.539970382e-05 5.80 -5.651515423e-05 -5.651515423e-05 5.82 -4.886903347e-05 -4.886903347e-05 5.84 -4.228442757e-05 -4.228442757e-05 5.86 -3.661027792e-05 -3.661027792e-05 5.88 -3.171752550e-05 -3.171752550e-05 5.90 -2.749583955e-05 -2.749583955e-05 5.92 -2.385084117e-05 -2.385084117e-05 5.94 -2.070174611e-05 -2.070174611e-05 5.96 -1.797936256e-05 -1.797936256e-05 5.98 -1.562438971e-05 -1.562438971e-05 6.00 -1.358597114e-05 -1.358597114e-05