# 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 = CdHg2S # 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 1.116054339e+04 1.116054339e+04 0.96 9.815692462e+03 9.815692462e+03 0.98 8.667396692e+03 8.667396692e+03 1.00 7.686240216e+03 7.686240216e+03 1.02 6.841177376e+03 6.841177376e+03 1.04 6.103479449e+03 6.103479449e+03 1.06 5.451701561e+03 5.451701561e+03 1.08 4.872390733e+03 4.872390733e+03 1.10 4.356622215e+03 4.356622215e+03 1.12 3.896664450e+03 3.896664450e+03 1.14 3.485368998e+03 3.485368998e+03 1.16 3.116581390e+03 3.116581390e+03 1.18 2.785676875e+03 2.785676875e+03 1.20 2.489744181e+03 2.489744181e+03 1.22 2.226750929e+03 2.226750929e+03 1.24 1.994618033e+03 1.994618033e+03 1.26 1.790968858e+03 1.790968858e+03 1.28 1.613198012e+03 1.613198012e+03 1.30 1.458577996e+03 1.458577996e+03 1.32 1.324258059e+03 1.324258059e+03 1.34 1.207212468e+03 1.207212468e+03 1.36 1.104309693e+03 1.104309693e+03 1.38 1.012518433e+03 1.012518433e+03 1.40 9.292324880e+02 9.292324880e+02 1.42 8.526143094e+02 8.526143094e+02 1.44 7.816467451e+02 7.816467451e+02 1.46 7.157962773e+02 7.157962773e+02 1.48 6.546892652e+02 6.546892652e+02 1.50 5.980276718e+02 5.980276718e+02 1.52 5.455730793e+02 5.455730793e+02 1.54 4.971375090e+02 4.971375090e+02 1.56 4.525716106e+02 4.525716106e+02 1.58 4.117375999e+02 4.117375999e+02 1.60 3.744879213e+02 3.744879213e+02 1.62 3.406625092e+02 3.406625092e+02 1.64 3.100923236e+02 3.100923236e+02 1.66 2.826009165e+02 2.826009165e+02 1.68 2.580017840e+02 2.580017840e+02 1.70 2.360921309e+02 2.360921309e+02 1.72 2.166454797e+02 2.166454797e+02 1.74 1.994054231e+02 1.994054231e+02 1.76 1.840852509e+02 1.840852509e+02 1.78 1.703794202e+02 1.703794202e+02 1.80 1.579881684e+02 1.579881684e+02 1.82 1.466514193e+02 1.466514193e+02 1.84 1.361789480e+02 1.361789480e+02 1.86 1.264554451e+02 1.264554451e+02 1.88 1.174136415e+02 1.174136415e+02 1.90 1.090025480e+02 1.090025480e+02 1.92 1.011745642e+02 1.011745642e+02 1.94 9.388389785e+01 9.388389785e+01 1.96 8.708731804e+01 8.708731804e+01 1.98 8.074614598e+01 8.074614598e+01 2.00 7.482858464e+01 7.482858464e+01 2.02 6.931074071e+01 6.931074071e+01 2.04 6.417523454e+01 6.417523454e+01 2.06 5.940784465e+01 5.940784465e+01 2.08 5.499431079e+01 5.499431079e+01 2.10 5.091888183e+01 5.091888183e+01 2.12 4.716403016e+01 4.716403016e+01 2.14 4.371043093e+01 4.371043093e+01 2.16 4.053702772e+01 4.053702772e+01 2.18 3.762120672e+01 3.762120672e+01 2.20 3.493910900e+01 3.493910900e+01 2.22 3.246610662e+01 3.246610662e+01 2.24 3.017745479e+01 3.017745479e+01 2.26 2.804910416e+01 2.804910416e+01 2.28 2.605861218e+01 2.605861218e+01 2.30 2.418603672e+01 2.418603672e+01 2.32 2.241464893e+01 2.241464893e+01 2.34 2.073130532e+01 2.073130532e+01 2.36 1.912640571e+01 1.912640571e+01 2.38 1.759351113e+01 1.759351113e+01 2.40 1.612877773e+01 1.612877773e+01 2.42 1.473027678e+01 1.473027678e+01 2.44 1.339720174e+01 1.339720174e+01 2.46 1.212914339e+01 1.212914339e+01 2.48 1.092570953e+01 1.092570953e+01 2.50 9.786457832e+00 9.786457832e+00 2.52 8.710902411e+00 8.710902411e+00 2.54 7.698505852e+00 7.698505852e+00 2.56 6.748666617e+00 6.748666617e+00 2.58 5.860706203e+00 5.860706203e+00 2.60 5.033856255e+00 5.033856255e+00 2.62 4.267245691e+00 4.267245691e+00 2.64 3.559887984e+00 3.559887984e+00 2.66 2.910668728e+00 2.910668728e+00 2.68 2.318333671e+00 2.318333671e+00 2.70 1.781477469e+00 1.781477469e+00 2.72 1.298533404e+00 1.298533404e+00 2.74 8.677644402e-01 8.677644402e-01 2.76 4.872559891e-01 4.872559891e-01 2.78 1.549108566e-01 1.549108566e-01 2.80 -1.315530927e-01 -1.315530927e-01 2.82 -3.746019552e-01 -3.746019552e-01 2.84 -5.768808183e-01 -5.768808183e-01 2.86 -7.412040724e-01 -7.412040724e-01 2.88 -8.705402300e-01 -8.705402300e-01 2.90 -9.679904653e-01 -9.679904653e-01 2.92 -1.036760114e+00 -1.036760114e+00 2.94 -1.080122472e+00 -1.080122472e+00 2.96 -1.101374441e+00 -1.101374441e+00 2.98 -1.103783917e+00 -1.103783917e+00 3.00 -1.090529412e+00 -1.090529412e+00 3.02 -1.064633344e+00 -1.064633344e+00 3.04 -1.028891760e+00 -1.028891760e+00 3.06 -9.858052718e-01 -9.858052718e-01 3.08 -9.375184960e-01 -9.375184960e-01 3.10 -8.857782225e-01 -8.857782225e-01 3.12 -8.319228456e-01 -8.319228456e-01 3.14 -7.769153208e-01 -7.769153208e-01 3.16 -7.214255930e-01 -7.214255930e-01 3.18 -6.659525977e-01 -6.659525977e-01 3.20 -6.109517626e-01 -6.109517626e-01 3.22 -5.569160209e-01 -5.569160209e-01 3.24 -5.043757209e-01 -5.043757209e-01 3.26 -4.538438646e-01 -4.538438646e-01 3.28 -4.057726896e-01 -4.057726896e-01 3.30 -3.605442383e-01 -3.605442383e-01 3.32 -3.184712927e-01 -3.184712927e-01 3.34 -2.797935296e-01 -2.797935296e-01 3.36 -2.446671630e-01 -2.446671630e-01 3.38 -2.131511754e-01 -2.131511754e-01 3.40 -1.851960784e-01 -1.851960784e-01 3.42 -1.606411730e-01 -1.606411730e-01 3.44 -1.392232728e-01 -1.392232728e-01 3.46 -1.205969142e-01 -1.205969142e-01 3.48 -1.043651664e-01 -1.043651664e-01 3.50 -9.011919843e-02 -9.011919843e-02 3.52 -7.748203211e-02 -7.748203211e-02 3.54 -6.614819029e-02 -6.614819029e-02 3.56 -5.590829911e-02 -5.590829911e-02 3.58 -4.664931457e-02 -4.664931457e-02 3.60 -3.832966604e-02 -3.832966604e-02 3.62 -3.094178475e-02 -3.094178475e-02 3.64 -2.448114523e-02 -2.448114523e-02 3.66 -1.893151677e-02 -1.893151677e-02 3.68 -1.426125623e-02 -1.426125623e-02 3.70 -1.042301224e-02 -1.042301224e-02 3.72 -7.354348129e-03 -7.354348129e-03 3.74 -4.979162637e-03 -4.979162637e-03 3.76 -3.210047642e-03 -3.210047642e-03 3.78 -1.951677869e-03 -1.951677869e-03 3.80 -1.105219682e-03 -1.105219682e-03 3.82 -5.735658283e-04 -5.735658283e-04 3.84 -2.669493341e-04 -2.669493341e-04 3.86 -1.081977682e-04 -1.081977682e-04 3.88 -3.665446958e-05 -3.665446958e-05 3.90 -9.783510046e-06 -9.783510046e-06 3.92 -1.883610320e-06 -1.883610320e-06 3.94 -2.278738403e-07 -2.278738403e-07 3.96 -1.378475803e-08 -1.378475803e-08 3.98 -2.774036614e-10 -2.774036614e-10 4.00 -8.302802831e-13 -8.302802831e-13 4.02 -5.850983290e-17 -5.850983290e-17 4.04 -4.601368580e-25 -4.601368580e-25 4.06 -6.938677934e-48 -6.938677934e-48 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 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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