# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ward-D-K-Zhou-X-Wong-B-M-Doty-F-P--Cd-Te-Zn # implementation = 2013--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = CdTe2Zn # 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 2.00 2.831827301e+01 2.831827301e+01 2.02 2.639200359e+01 2.639200359e+01 2.04 2.457626559e+01 2.457626559e+01 2.06 2.286498825e+01 2.286498825e+01 2.08 2.125198554e+01 2.125198554e+01 2.10 1.973253080e+01 1.973253080e+01 2.12 1.830138826e+01 1.830138826e+01 2.14 1.695352806e+01 1.695352806e+01 2.16 1.568408200e+01 1.568408200e+01 2.18 1.448839487e+01 1.448839487e+01 2.20 1.336216384e+01 1.336216384e+01 2.22 1.230167884e+01 1.230167884e+01 2.24 1.130316185e+01 1.130316185e+01 2.26 1.036403855e+01 1.036403855e+01 2.28 9.481103418e+00 9.481103418e+00 2.30 8.651464407e+00 8.651464407e+00 2.32 7.872341747e+00 7.872341747e+00 2.34 7.141220827e+00 7.141220827e+00 2.36 6.455667386e+00 6.455667386e+00 2.38 5.813283085e+00 5.813283085e+00 2.40 5.211677903e+00 5.211677903e+00 2.42 4.648616731e+00 4.648616731e+00 2.44 4.122061841e+00 4.122061841e+00 2.46 3.630085304e+00 3.630085304e+00 2.48 3.170935587e+00 3.170935587e+00 2.50 2.742978922e+00 2.742978922e+00 2.52 2.344652632e+00 2.344652632e+00 2.54 1.974448236e+00 1.974448236e+00 2.56 1.630891117e+00 1.630891117e+00 2.58 1.312519059e+00 1.312519059e+00 2.60 1.017864240e+00 1.017864240e+00 2.62 7.455127607e-01 7.455127607e-01 2.64 4.938125353e-01 4.938125353e-01 2.66 2.614890790e-01 2.614890790e-01 2.68 4.721115955e-02 4.721115955e-02 2.70 -1.501653608e-01 -1.501653608e-01 2.72 -3.314576535e-01 -3.314576535e-01 2.74 -4.978748505e-01 -4.978748505e-01 2.76 -6.495355117e-01 -6.495355117e-01 2.78 -7.873257026e-01 -7.873257026e-01 2.80 -9.120403271e-01 -9.120403271e-01 2.82 -1.024440076e+00 -1.024440076e+00 2.84 -1.125252747e+00 -1.125252747e+00 2.86 -1.215174076e+00 -1.215174076e+00 2.88 -1.294869080e+00 -1.294869080e+00 2.90 -1.364972903e+00 -1.364972903e+00 2.92 -1.426091845e+00 -1.426091845e+00 2.94 -1.478804341e+00 -1.478804341e+00 2.96 -1.523661800e+00 -1.523661800e+00 2.98 -1.561189511e+00 -1.561189511e+00 3.00 -1.591887465e+00 -1.591887465e+00 3.02 -1.616231118e+00 -1.616231118e+00 3.04 -1.634672183e+00 -1.634672183e+00 3.06 -1.647639300e+00 -1.647639300e+00 3.08 -1.655538730e+00 -1.655538730e+00 3.10 -1.658754979e+00 -1.658754979e+00 3.12 -1.657651358e+00 -1.657651358e+00 3.14 -1.652570563e+00 -1.652570563e+00 3.16 -1.643835138e+00 -1.643835138e+00 3.18 -1.631747965e+00 -1.631747965e+00 3.20 -1.616592692e+00 -1.616592692e+00 3.22 -1.598634154e+00 -1.598634154e+00 3.24 -1.578118822e+00 -1.578118822e+00 3.26 -1.555275305e+00 -1.555275305e+00 3.28 -1.530314980e+00 -1.530314980e+00 3.30 -1.503432834e+00 -1.503432834e+00 3.32 -1.474808679e+00 -1.474808679e+00 3.34 -1.444608855e+00 -1.444608855e+00 3.36 -1.412988659e+00 -1.412988659e+00 3.38 -1.380095664e+00 -1.380095664e+00 3.40 -1.346073935e+00 -1.346073935e+00 3.42 -1.311068948e+00 -1.311068948e+00 3.44 -1.275232417e+00 -1.275232417e+00 3.46 -1.238725388e+00 -1.238725388e+00 3.48 -1.201717190e+00 -1.201717190e+00 3.50 -1.164377730e+00 -1.164377730e+00 3.52 -1.126862336e+00 -1.126862336e+00 3.54 -1.089293016e+00 -1.089293016e+00 3.56 -1.051180578e+00 -1.051180578e+00 3.58 -1.014110337e+00 -1.014110337e+00 3.60 -9.768961651e-01 -9.768961651e-01 3.62 -9.397081090e-01 -9.397081090e-01 3.64 -9.027514615e-01 -9.027514615e-01 3.66 -8.662617040e-01 -8.662617040e-01 3.68 -8.304940367e-01 -8.304940367e-01 3.70 -7.956923829e-01 -7.956923829e-01 3.72 -7.620451841e-01 -7.620451841e-01 3.74 -7.296420769e-01 -7.296420769e-01 3.76 -6.984544183e-01 -6.984544183e-01 3.78 -6.683558417e-01 -6.683558417e-01 3.80 -6.391755247e-01 -6.391755247e-01 3.82 -6.107545204e-01 -6.107545204e-01 3.84 -5.828373854e-01 -5.828373854e-01 3.86 -5.558099128e-01 -5.558099128e-01 3.88 -5.291826942e-01 -5.291826942e-01 3.90 -5.030444137e-01 -5.030444137e-01 3.92 -4.774121080e-01 -4.774121080e-01 3.94 -4.523067886e-01 -4.523067886e-01 3.96 -4.277540481e-01 -4.277540481e-01 3.98 -4.037843595e-01 -4.037843595e-01 4.00 -3.804329669e-01 -3.804329669e-01 4.02 -3.577391914e-01 -3.577391914e-01 4.04 -3.357449049e-01 -3.357449049e-01 4.06 -3.144921136e-01 -3.144921136e-01 4.08 -2.940195098e-01 -2.940195098e-01 4.10 -2.743581777e-01 -2.743581777e-01 4.12 -2.555268380e-01 -2.555268380e-01 4.14 -2.375273362e-01 -2.375273362e-01 4.16 -2.203413835e-01 -2.203413835e-01 4.18 -2.039296345e-01 -2.039296345e-01 4.20 -1.882339666e-01 -1.882339666e-01 4.22 -1.731832435e-01 -1.731832435e-01 4.24 -1.587019775e-01 -1.587019775e-01 4.26 -1.447204831e-01 -1.447204831e-01 4.28 -1.311846062e-01 -1.311846062e-01 4.30 -1.180631772e-01 -1.180631772e-01 4.32 -1.052987002e-01 -1.052987002e-01 4.34 -9.306138457e-02 -9.306138457e-02 4.36 -8.127452088e-02 -8.127452088e-02 4.38 -7.001863742e-02 -7.001863742e-02 4.40 -5.938185645e-02 -5.938185645e-02 4.42 -4.944971697e-02 -4.944971697e-02 4.44 -4.029995046e-02 -4.029995046e-02 4.46 -3.199878301e-02 -3.199878301e-02 4.48 -2.459376197e-02 -2.459376197e-02 4.50 -1.810900882e-02 -1.810900882e-02 4.52 -1.255034598e-02 -1.255034598e-02 4.54 -7.935108556e-03 -7.935108556e-03 4.56 -4.348050545e-03 -4.348050545e-03 4.58 -1.924947844e-03 -1.924947844e-03 4.60 3.632786361e-05 3.632786361e-05 4.62 1.580144813e-05 1.580144813e-05 4.64 3.625515834e-06 3.625515834e-06 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00