# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = FId2K # 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 2022-05-24 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 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 1.485943274e+06 1.485943274e+06 1.38 1.208537032e+06 1.208537032e+06 1.40 9.857786213e+05 9.857786213e+05 1.42 8.063493984e+05 8.063493984e+05 1.44 6.613869788e+05 6.613869788e+05 1.46 5.439290837e+05 5.439290837e+05 1.48 4.484871828e+05 4.484871828e+05 1.50 3.707210182e+05 3.707210182e+05 1.52 3.071872680e+05 3.071872680e+05 1.54 2.551459166e+05 2.551459166e+05 1.56 2.124102014e+05 2.124102014e+05 1.58 1.772295433e+05 1.772295433e+05 1.60 1.481987901e+05 1.481987901e+05 1.62 1.241869288e+05 1.241869288e+05 1.64 1.042810123e+05 1.042810123e+05 1.66 8.774233850e+04 8.774233850e+04 1.68 7.397165518e+04 7.397165518e+04 1.70 6.248149286e+04 6.248149286e+04 1.72 5.287449488e+04 5.287449488e+04 1.74 4.482593478e+04 4.482593478e+04 1.76 3.806982763e+04 3.806982763e+04 1.78 3.238781797e+04 3.238781797e+04 1.80 2.760025983e+04 2.760025983e+04 1.82 2.355903981e+04 2.355903981e+04 1.84 2.014177046e+04 2.014177046e+04 1.86 1.724710057e+04 1.724710057e+04 1.88 1.479096809e+04 1.479096809e+04 1.90 1.270348598e+04 1.270348598e+04 1.92 1.092648094e+04 1.092648094e+04 1.94 9.411386488e+03 9.411386488e+03 1.96 8.117608644e+03 8.117608644e+03 1.98 7.011157134e+03 7.011157134e+03 2.00 6.063519161e+03 6.063519161e+03 2.02 5.250733591e+03 5.250733591e+03 2.04 4.552633990e+03 4.552633990e+03 2.06 3.952211275e+03 3.952211275e+03 2.08 3.435105506e+03 3.435105506e+03 2.10 2.989164452e+03 2.989164452e+03 2.12 2.604106184e+03 2.604106184e+03 2.14 2.271199843e+03 2.271199843e+03 2.16 1.983032611e+03 1.983032611e+03 2.18 1.733290230e+03 1.733290230e+03 2.20 1.516590296e+03 1.516590296e+03 2.22 1.328343415e+03 1.328343415e+03 2.24 1.164627162e+03 1.164627162e+03 2.26 1.022086689e+03 1.022086689e+03 2.28 8.978478758e+02 8.978478758e+02 2.30 7.894447383e+02 7.894447383e+02 2.32 6.947600635e+02 6.947600635e+02 2.34 6.119725917e+02 6.119725917e+02 2.36 5.395123598e+02 5.395123598e+02 2.38 4.760282474e+02 4.760282474e+02 2.40 4.203540669e+02 4.203540669e+02 2.42 3.714821794e+02 3.714821794e+02 2.44 3.285409646e+02 3.285409646e+02 2.46 2.907759124e+02 2.907759124e+02 2.48 2.575330584e+02 2.575330584e+02 2.50 2.282449023e+02 2.282449023e+02 2.52 2.024185874e+02 2.024185874e+02 2.54 1.796262061e+02 1.796262061e+02 2.56 1.594940714e+02 1.594940714e+02 2.58 1.416972951e+02 1.416972951e+02 2.60 1.259521414e+02 1.259521414e+02 2.62 1.120114600e+02 1.120114600e+02 2.64 9.965966292e+01 9.965966292e+01 2.66 8.870729328e+01 8.870729328e+01 2.68 7.898908976e+01 7.898908976e+01 2.70 7.036037805e+01 7.036037805e+01 2.72 6.269390998e+01 6.269390998e+01 2.74 5.587797578e+01 5.587797578e+01 2.76 4.981441387e+01 4.981441387e+01 2.78 4.441683290e+01 4.441683290e+01 2.80 3.960912393e+01 3.960912393e+01 2.82 3.532441909e+01 3.532441909e+01 2.84 3.150361562e+01 3.150361562e+01 2.86 2.809416626e+01 2.809416626e+01 2.88 2.505079194e+01 2.505079194e+01 2.90 2.233267382e+01 2.233267382e+01 2.92 1.990373617e+01 1.990373617e+01 2.94 1.773204555e+01 1.773204555e+01 2.96 1.578931338e+01 1.578931338e+01 2.98 1.405046423e+01 1.405046423e+01 3.00 1.249325806e+01 1.249325806e+01 3.02 1.109796539e+01 1.109796539e+01 3.04 9.847027074e+00 9.847027074e+00 3.06 8.724891795e+00 8.724891795e+00 3.08 7.717745249e+00 7.717745249e+00 3.10 6.813330571e+00 6.813330571e+00 3.12 6.000724604e+00 6.000724604e+00 3.14 5.270222468e+00 5.270222468e+00 3.16 4.613197592e+00 4.613197592e+00 3.18 4.021898779e+00 4.021898779e+00 3.20 3.489496472e+00 3.489496472e+00 3.22 3.009966049e+00 3.009966049e+00 3.24 2.577953657e+00 2.577953657e+00 3.26 2.188641013e+00 2.188641013e+00 3.28 1.837739735e+00 1.837739735e+00 3.30 1.521431177e+00 1.521431177e+00 3.32 1.236312792e+00 1.236312792e+00 3.34 9.793503434e-01 9.793503434e-01 3.36 7.478353502e-01 7.478353502e-01 3.38 5.393472342e-01 5.393472342e-01 3.40 3.517196956e-01 3.517196956e-01 3.42 1.830125750e-01 1.830125750e-01 3.44 3.148105446e-02 3.148105446e-02 3.46 -1.044450751e-01 -1.044450751e-01 3.48 -2.261806173e-01 -2.261806173e-01 3.50 -3.355136133e-01 -3.355136133e-01 3.52 -4.330089029e-01 -4.330089029e-01 3.54 -5.196926441e-01 -5.196926441e-01 3.56 -5.965460107e-01 -5.965460107e-01 3.58 -6.644618863e-01 -6.644618863e-01 3.60 -7.242550885e-01 -7.242550885e-01 3.62 -7.767055032e-01 -7.767055032e-01 3.64 -8.224610235e-01 -8.224610235e-01 3.66 -8.621451026e-01 -8.621451026e-01 3.68 -8.964984219e-01 -8.964984219e-01 3.70 -9.259885135e-01 -9.259885135e-01 3.72 -9.509334990e-01 -9.509334990e-01 3.74 -9.717953171e-01 -9.717953171e-01 3.76 -9.889978390e-01 -9.889978390e-01 3.78 -1.002929442e+00 -1.002929442e+00 3.80 -1.013941711e+00 -1.013941711e+00 3.82 -1.022361788e+00 -1.022361788e+00 3.84 -1.028487320e+00 -1.028487320e+00 3.86 -1.032586417e+00 -1.032586417e+00 3.88 -1.034901682e+00 -1.034901682e+00 3.90 -1.035651738e+00 -1.035651738e+00 3.92 -1.035032700e+00 -1.035032700e+00 3.94 -1.033219604e+00 -1.033219604e+00 3.96 -1.030366971e+00 -1.030366971e+00 3.98 -1.026612287e+00 -1.026612287e+00 4.00 -1.022119025e+00 -1.022119025e+00 4.02 -1.017090896e+00 -1.017090896e+00 4.04 -1.011445397e+00 -1.011445397e+00 4.06 -1.005263553e+00 -1.005263553e+00 4.08 -9.986154999e-01 -9.986154999e-01 4.10 -9.915605678e-01 -9.915605678e-01 4.12 -9.841482535e-01 -9.841482535e-01 4.14 -9.764198215e-01 -9.764198215e-01 4.16 -9.684094397e-01 -9.684094397e-01 4.18 -9.601452362e-01 -9.601452362e-01 4.20 -9.516502698e-01 -9.516502698e-01 4.22 -9.429434086e-01 -9.429434086e-01 4.24 -9.340401145e-01 -9.340401145e-01 4.26 -9.249531318e-01 -9.249531318e-01 4.28 -9.156930809e-01 -9.156930809e-01 4.30 -9.062689610e-01 -9.062689610e-01 4.32 -8.966952536e-01 -8.966952536e-01 4.34 -8.870209064e-01 -8.870209064e-01 4.36 -8.771924905e-01 -8.771924905e-01 4.38 -8.672176338e-01 -8.672176338e-01 4.40 -8.571034571e-01 -8.571034571e-01 4.42 -8.468566815e-01 -8.468566815e-01 4.44 -8.364836985e-01 -8.364836985e-01 4.46 -8.259906069e-01 -8.259906069e-01 4.48 -8.153832236e-01 -8.153832236e-01 4.50 -8.048404837e-01 -8.048404837e-01 4.52 -7.942178972e-01 -7.942178972e-01 4.54 -7.834531079e-01 -7.834531079e-01 4.56 -7.725581990e-01 -7.725581990e-01 4.58 -7.615437375e-01 -7.615437375e-01 4.60 -7.504188803e-01 -7.504188803e-01 4.62 -7.391914802e-01 -7.391914802e-01 4.64 -7.278681938e-01 -7.278681938e-01 4.66 -7.164545904e-01 -7.164545904e-01 4.68 -7.049552629e-01 -7.049552629e-01 4.70 -6.933739407e-01 -6.933739407e-01 4.72 -6.817136034e-01 -6.817136034e-01 4.74 -6.699765967e-01 -6.699765967e-01 4.76 -6.581647490e-01 -6.581647490e-01 4.78 -6.462794882e-01 -6.462794882e-01 4.80 -6.343219588e-01 -6.343219588e-01 4.82 -6.222931259e-01 -6.222931259e-01 4.84 -6.101935015e-01 -6.101935015e-01 4.86 -5.980245563e-01 -5.980245563e-01 4.88 -5.857874329e-01 -5.857874329e-01 4.90 -5.734835461e-01 -5.734835461e-01 4.92 -5.611146804e-01 -5.611146804e-01 4.94 -5.486830823e-01 -5.486830823e-01 4.96 -5.361914583e-01 -5.361914583e-01 4.98 -5.236428956e-01 -5.236428956e-01 5.00 -5.110416992e-01 -5.110416992e-01 5.02 -4.983930221e-01 -4.983930221e-01 5.04 -4.857024913e-01 -4.857024913e-01 5.06 -4.729765573e-01 -4.729765573e-01 5.08 -4.602225162e-01 -4.602225162e-01 5.10 -4.474485184e-01 -4.474485184e-01 5.12 -4.346635658e-01 -4.346635658e-01 5.14 -4.218774959e-01 -4.218774959e-01 5.16 -4.091009534e-01 -4.091009534e-01 5.18 -3.963453507e-01 -3.963453507e-01 5.20 -3.836228158e-01 -3.836228158e-01 5.22 -3.709461302e-01 -3.709461302e-01 5.24 -3.583286561e-01 -3.583286561e-01 5.26 -3.457846377e-01 -3.457846377e-01 5.28 -3.333279341e-01 -3.333279341e-01 5.30 -3.209730954e-01 -3.209730954e-01 5.32 -3.087349317e-01 -3.087349317e-01 5.34 -2.966283595e-01 -2.966283595e-01 5.36 -2.846682946e-01 -2.846682946e-01 5.38 -2.728695427e-01 -2.728695427e-01 5.40 -2.612466906e-01 -2.612466906e-01 5.42 -2.498139989e-01 -2.498139989e-01 5.44 -2.385852985e-01 -2.385852985e-01 5.46 -2.275738898e-01 -2.275738898e-01 5.48 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-4.009612384e-02 6.00 -3.667330906e-02 -3.667330906e-02