# 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 = CdHgTe2 # 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 2.072134819e+04 2.072134819e+04 0.96 1.823029007e+04 1.823029007e+04 0.98 1.607028824e+04 1.607028824e+04 1.00 1.419165456e+04 1.419165456e+04 1.02 1.255524472e+04 1.255524472e+04 1.04 1.113120563e+04 1.113120563e+04 1.06 9.894272966e+03 9.894272966e+03 1.08 8.820669890e+03 8.820669890e+03 1.10 7.887140411e+03 7.887140411e+03 1.12 7.071387085e+03 7.071387085e+03 1.14 6.354459753e+03 6.354459753e+03 1.16 5.721440266e+03 5.721440266e+03 1.18 5.160175275e+03 5.160175275e+03 1.20 4.661178703e+03 4.661178703e+03 1.22 4.217009671e+03 4.217009671e+03 1.24 3.820681374e+03 3.820681374e+03 1.26 3.465393097e+03 3.465393097e+03 1.28 3.145245043e+03 3.145245043e+03 1.30 2.855614251e+03 2.855614251e+03 1.32 2.592879580e+03 2.592879580e+03 1.34 2.354224582e+03 2.354224582e+03 1.36 2.137775717e+03 2.137775717e+03 1.38 1.942358797e+03 1.942358797e+03 1.40 1.766890477e+03 1.766890477e+03 1.42 1.610043792e+03 1.610043792e+03 1.44 1.470207259e+03 1.470207259e+03 1.46 1.345529000e+03 1.345529000e+03 1.48 1.234019230e+03 1.234019230e+03 1.50 1.133711679e+03 1.133711679e+03 1.52 1.042847343e+03 1.042847343e+03 1.54 9.600001098e+02 9.600001098e+02 1.56 8.840667010e+02 8.840667010e+02 1.58 8.141532538e+02 8.141532538e+02 1.60 7.495092438e+02 7.495092438e+02 1.62 6.895385877e+02 6.895385877e+02 1.64 6.337917720e+02 6.337917720e+02 1.66 5.819233273e+02 5.819233273e+02 1.68 5.336742883e+02 5.336742883e+02 1.70 4.888716583e+02 4.888716583e+02 1.72 4.474057155e+02 4.474057155e+02 1.74 4.091888694e+02 4.091888694e+02 1.76 3.741246981e+02 3.741246981e+02 1.78 3.420984819e+02 3.420984819e+02 1.80 3.129768671e+02 3.129768671e+02 1.82 2.866092756e+02 2.866092756e+02 1.84 2.628302500e+02 2.628302500e+02 1.86 2.414624341e+02 2.414624341e+02 1.88 2.223194970e+02 2.223194970e+02 1.90 2.052081088e+02 2.052081088e+02 1.92 1.899287109e+02 1.899287109e+02 1.94 1.762766443e+02 1.762766443e+02 1.96 1.640465910e+02 1.640465910e+02 1.98 1.530414969e+02 1.530414969e+02 2.00 1.430831651e+02 1.430831651e+02 2.02 1.340185876e+02 1.340185876e+02 2.04 1.257172377e+02 1.257172377e+02 2.06 1.180635735e+02 1.180635735e+02 2.08 1.109553729e+02 1.109553729e+02 2.10 1.043088626e+02 1.043088626e+02 2.12 9.806248174e+01 9.806248174e+01 2.14 9.217455214e+01 9.217455214e+01 2.16 8.661625070e+01 8.661625070e+01 2.18 8.136542341e+01 8.136542341e+01 2.20 7.640391819e+01 7.640391819e+01 2.22 7.171616047e+01 7.171616047e+01 2.24 6.728781857e+01 6.728781857e+01 2.26 6.310518347e+01 6.310518347e+01 2.28 5.915534553e+01 5.915534553e+01 2.30 5.542660187e+01 5.542660187e+01 2.32 5.190869814e+01 5.190869814e+01 2.34 4.859275296e+01 4.859275296e+01 2.36 4.547083230e+01 4.547083230e+01 2.38 4.253530738e+01 4.253530738e+01 2.40 3.977826488e+01 3.977826488e+01 2.42 3.719117883e+01 3.719117883e+01 2.44 3.476482935e+01 3.476482935e+01 2.46 3.248933395e+01 3.248933395e+01 2.48 3.035422483e+01 3.035422483e+01 2.50 2.834857448e+01 2.834857448e+01 2.52 2.646118172e+01 2.646118172e+01 2.54 2.468082638e+01 2.468082638e+01 2.56 2.299659381e+01 2.299659381e+01 2.58 2.139825778e+01 2.139825778e+01 2.60 1.987669042e+01 1.987669042e+01 2.62 1.842424253e+01 1.842424253e+01 2.64 1.703501284e+01 1.703501284e+01 2.66 1.570491616e+01 1.570491616e+01 2.68 1.443148864e+01 1.443148864e+01 2.70 1.321345036e+01 1.321345036e+01 2.72 1.205016224e+01 1.205016224e+01 2.74 1.094118352e+01 1.094118352e+01 2.76 9.886058596e+00 9.886058596e+00 2.78 8.884279322e+00 8.884279322e+00 2.80 7.935291496e+00 7.935291496e+00 2.82 7.038492996e+00 7.038492996e+00 2.84 6.193227897e+00 6.193227897e+00 2.86 5.398780582e+00 5.398780582e+00 2.88 4.654370193e+00 4.654370193e+00 2.90 3.959145541e+00 3.959145541e+00 2.92 3.312180556e+00 3.312180556e+00 2.94 2.712470400e+00 2.712470400e+00 2.96 2.158928381e+00 2.158928381e+00 2.98 1.650383798e+00 1.650383798e+00 3.00 1.185580881e+00 1.185580881e+00 3.02 7.631789871e-01 7.631789871e-01 3.04 3.817542074e-01 3.817542074e-01 3.06 3.980255088e-02 3.980255088e-02 3.08 -2.642551751e-01 -2.642551751e-01 3.10 -5.320666878e-01 -5.320666878e-01 3.12 -7.653397330e-01 -7.653397330e-01 3.14 -9.658318412e-01 -9.658318412e-01 3.16 -1.135338545e+00 -1.135338545e+00 3.18 -1.275680450e+00 -1.275680450e+00 3.20 -1.388689762e+00 -1.388689762e+00 3.22 -1.476197161e+00 -1.476197161e+00 3.24 -1.540020107e+00 -1.540020107e+00 3.26 -1.581953893e+00 -1.581953893e+00 3.28 -1.603766725e+00 -1.603766725e+00 3.30 -1.607199784e+00 -1.607199784e+00 3.32 -1.593972427e+00 -1.593972427e+00 3.34 -1.565791295e+00 -1.565791295e+00 3.36 -1.524360440e+00 -1.524360440e+00 3.38 -1.471388139e+00 -1.471388139e+00 3.40 -1.408586137e+00 -1.408586137e+00 3.42 -1.337659455e+00 -1.337659455e+00 3.44 -1.260288988e+00 -1.260288988e+00 3.46 -1.178111710e+00 -1.178111710e+00 3.48 -1.092701871e+00 -1.092701871e+00 3.50 -1.005553378e+00 -1.005553378e+00 3.52 -9.180626462e-01 -9.180626462e-01 3.54 -8.315119890e-01 -8.315119890e-01 3.56 -7.470539981e-01 -7.470539981e-01 3.58 -6.656975133e-01 -6.656975133e-01 3.60 -5.882958056e-01 -5.882958056e-01 3.62 -5.155376670e-01 -5.155376670e-01 3.64 -4.479421203e-01 -4.479421203e-01 3.66 -3.858574809e-01 -3.858574809e-01 3.68 -3.294654674e-01 -3.294654674e-01 3.70 -2.787909648e-01 -2.787909648e-01 3.72 -2.337178312e-01 -2.337178312e-01 3.74 -1.940107621e-01 -1.940107621e-01 3.76 -1.593426098e-01 -1.593426098e-01 3.78 -1.293256780e-01 -1.293256780e-01 3.80 -1.035444231e-01 -1.035444231e-01 3.82 -8.158591622e-02 -8.158591622e-02 3.84 -6.306378087e-02 -6.306378087e-02 3.86 -4.763164152e-02 -4.763164152e-02 3.88 -3.498380057e-02 -3.498380057e-02 3.90 -2.484381784e-02 -2.484381784e-02 3.92 -1.694539309e-02 -1.694539309e-02 3.94 -1.101349695e-02 -1.101349695e-02 3.96 -6.754700993e-03 -6.754700993e-03 3.98 -3.860984303e-03 -3.860984303e-03 4.00 -2.023700462e-03 -2.023700462e-03 4.02 -9.517794026e-04 -9.517794026e-04 4.04 -3.899597531e-04 -3.899597531e-04 4.06 -1.335347487e-04 -1.335347487e-04 4.08 -3.599431168e-05 -3.599431168e-05 4.10 -6.980082890e-06 -6.980082890e-06 4.12 -8.452617958e-07 -8.452617958e-07 4.14 -5.046547833e-08 -5.046547833e-08 4.16 -9.699529784e-10 -9.699529784e-10 4.18 -2.552363843e-12 -2.552363843e-12 4.20 -1.239681094e-16 -1.239681094e-16 4.22 -2.598250091e-25 -2.598250091e-25 4.24 -9.240118280e-52 -9.240118280e-52 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