# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = Cd2SZn # 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 1.260731723e+04 1.260731723e+04 0.96 1.107245322e+04 1.107245322e+04 0.98 9.745722405e+03 9.745722405e+03 1.00 8.600331464e+03 8.600331464e+03 1.02 7.612255661e+03 7.612255661e+03 1.04 6.757372882e+03 6.757372882e+03 1.06 6.010989993e+03 6.010989993e+03 1.08 5.352332339e+03 5.352332339e+03 1.10 4.768814549e+03 4.768814549e+03 1.12 4.252743894e+03 4.252743894e+03 1.14 3.797893821e+03 3.797893821e+03 1.16 3.398453413e+03 3.398453413e+03 1.18 3.047966840e+03 3.047966840e+03 1.20 2.739409906e+03 2.739409906e+03 1.22 2.466355660e+03 2.466355660e+03 1.24 2.224102355e+03 2.224102355e+03 1.26 2.009294055e+03 2.009294055e+03 1.28 1.818885969e+03 1.818885969e+03 1.30 1.650033907e+03 1.650033907e+03 1.32 1.500154415e+03 1.500154415e+03 1.34 1.366885559e+03 1.366885559e+03 1.36 1.248148748e+03 1.248148748e+03 1.38 1.142123818e+03 1.142123818e+03 1.40 1.047068080e+03 1.047068080e+03 1.42 9.611954168e+02 9.611954168e+02 1.44 8.827577497e+02 8.827577497e+02 1.46 8.103232437e+02 8.103232437e+02 1.48 7.429856165e+02 7.429856165e+02 1.50 6.802322394e+02 6.802322394e+02 1.52 6.217270243e+02 6.217270243e+02 1.54 5.672455864e+02 5.672455864e+02 1.56 5.166421230e+02 5.166421230e+02 1.58 4.697941338e+02 4.697941338e+02 1.60 4.265663292e+02 4.265663292e+02 1.62 3.868079759e+02 3.868079759e+02 1.64 3.503603942e+02 3.503603942e+02 1.66 3.170655933e+02 3.170655933e+02 1.68 2.867732976e+02 2.867732976e+02 1.70 2.593441841e+02 2.593441841e+02 1.72 2.346483368e+02 2.346483368e+02 1.74 2.125584341e+02 2.125584341e+02 1.76 1.929385979e+02 1.929385979e+02 1.78 1.756320028e+02 1.756320028e+02 1.80 1.604509186e+02 1.604509186e+02 1.82 1.471729897e+02 1.471729897e+02 1.84 1.355447415e+02 1.355447415e+02 1.86 1.252934006e+02 1.252934006e+02 1.88 1.161493035e+02 1.161493035e+02 1.90 1.078767766e+02 1.078767766e+02 1.92 1.003007700e+02 1.003007700e+02 1.94 9.330887862e+01 9.330887862e+01 1.96 8.682591765e+01 8.682591765e+01 1.98 8.079137647e+01 8.079137647e+01 2.00 7.515659428e+01 7.515659428e+01 2.02 6.988704343e+01 6.988704343e+01 2.04 6.496055717e+01 6.496055717e+01 2.06 6.036193824e+01 6.036193824e+01 2.08 5.607822871e+01 5.607822871e+01 2.10 5.209675762e+01 5.209675762e+01 2.12 4.840428805e+01 4.840428805e+01 2.14 4.498633116e+01 4.498633116e+01 2.16 4.182680848e+01 4.182680848e+01 2.18 3.890804763e+01 3.890804763e+01 2.20 3.621094468e+01 3.621094468e+01 2.22 3.371525623e+01 3.371525623e+01 2.24 3.140004786e+01 3.140004786e+01 2.26 2.924431316e+01 2.924431316e+01 2.28 2.722774847e+01 2.722774847e+01 2.30 2.533162242e+01 2.533162242e+01 2.32 2.353962190e+01 2.353962190e+01 2.34 2.183850636e+01 2.183850636e+01 2.36 2.021840205e+01 2.021840205e+01 2.38 1.867265083e+01 1.867265083e+01 2.40 1.719727228e+01 1.719727228e+01 2.42 1.579019435e+01 1.579019435e+01 2.44 1.445040768e+01 1.445040768e+01 2.46 1.317724305e+01 1.317724305e+01 2.48 1.196999750e+01 1.196999750e+01 2.50 1.082786847e+01 1.082786847e+01 2.52 9.749961157e+00 9.749961157e+00 2.54 8.735282036e+00 8.735282036e+00 2.56 7.782728687e+00 7.782728687e+00 2.58 6.891080327e+00 6.891080327e+00 2.60 6.058989527e+00 6.058989527e+00 2.62 5.284975379e+00 5.284975379e+00 2.64 4.567418509e+00 4.567418509e+00 2.66 3.904558341e+00 3.904558341e+00 2.68 3.294493102e+00 3.294493102e+00 2.70 2.735183103e+00 2.735183103e+00 2.72 2.224457876e+00 2.224457876e+00 2.74 1.760027763e+00 1.760027763e+00 2.76 1.339500549e+00 1.339500549e+00 2.78 9.604036285e-01 9.604036285e-01 2.80 6.202120321e-01 6.202120321e-01 2.82 3.163823050e-01 3.163823050e-01 2.84 4.639172817e-02 4.639172817e-02 2.86 -1.922183984e-01 -1.922183984e-01 2.88 -4.017977177e-01 -4.017977177e-01 2.90 -5.845436252e-01 -5.845436252e-01 2.92 -7.424649325e-01 -7.424649325e-01 2.94 -8.773585870e-01 -8.773585870e-01 2.96 -9.908060009e-01 -9.908060009e-01 2.98 -1.084194140e+00 -1.084194140e+00 3.00 -1.158762344e+00 -1.158762344e+00 3.02 -1.215668452e+00 -1.215668452e+00 3.04 -1.256058631e+00 -1.256058631e+00 3.06 -1.281119048e+00 -1.281119048e+00 3.08 -1.292091479e+00 -1.292091479e+00 3.10 -1.290252632e+00 -1.290252632e+00 3.12 -1.276877791e+00 -1.276877791e+00 3.14 -1.253211842e+00 -1.253211842e+00 3.16 -1.220453290e+00 -1.220453290e+00 3.18 -1.179745309e+00 -1.179745309e+00 3.20 -1.132170786e+00 -1.132170786e+00 3.22 -1.078751662e+00 -1.078751662e+00 3.24 -1.020453278e+00 -1.020453278e+00 3.26 -9.581938588e-01 -9.581938588e-01 3.28 -8.928584190e-01 -8.928584190e-01 3.30 -8.253150946e-01 -8.253150946e-01 3.32 -7.564305369e-01 -7.564305369e-01 3.34 -6.870799684e-01 -6.870799684e-01 3.36 -6.181475626e-01 -6.181475626e-01 3.38 -5.505147272e-01 -5.505147272e-01 3.40 -4.850376198e-01 -4.850376198e-01 3.42 -4.225190554e-01 -4.225190554e-01 3.44 -3.636808727e-01 -3.636808727e-01 3.46 -3.091397532e-01 -3.091397532e-01 3.48 -2.593859908e-01 -2.593859908e-01 3.50 -2.147644950e-01 -2.147644950e-01 3.52 -1.754589669e-01 -1.754589669e-01 3.54 -1.414813284e-01 -1.414813284e-01 3.56 -1.126691546e-01 -1.126691546e-01 3.58 -8.869432534e-02 -8.869432534e-02 3.60 -6.908614625e-02 -6.908614625e-02 3.62 -5.327119109e-02 -5.327119109e-02 3.64 -4.062927046e-02 -4.062927046e-02 3.66 -3.055953225e-02 -3.055953225e-02 3.68 -2.254319343e-02 -2.254319343e-02 3.70 -1.618318563e-02 -1.618318563e-02 3.72 -1.120346351e-02 -1.120346351e-02 3.74 -7.408854320e-03 -7.408854320e-03 3.76 -4.632736546e-03 -4.632736546e-03 3.78 -2.705898139e-03 -2.705898139e-03 3.80 -1.453125778e-03 -1.453125778e-03 3.82 -7.024779129e-04 -7.024779129e-04 3.84 -2.969917357e-04 -2.969917357e-04 3.86 -1.054395306e-04 -1.054395306e-04 3.88 -2.963754051e-05 -2.963754051e-05 3.90 -6.035828575e-06 -6.035828575e-06 3.92 -7.741308171e-07 -7.741308171e-07 3.94 -4.941920158e-08 -4.941920158e-08 3.96 -1.024014538e-09 -1.024014538e-09 3.98 -2.895298284e-12 -2.895298284e-12 4.00 -1.418127177e-16 -1.418127177e-16 4.02 -1.959267585e-25 -1.959267585e-25 4.04 -4.306275033e-54 -4.306275033e-54 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 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