# 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 = Se2Te # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 2.248981182e+04 0.88 1.958464747e+04 0.90 1.710288054e+04 0.92 1.497239844e+04 0.94 1.313239846e+04 0.96 1.154039553e+04 0.98 1.016347145e+04 1.00 8.971866502e+03 1.02 7.940240901e+03 1.04 7.048125540e+03 1.06 6.276740961e+03 1.08 5.607207476e+03 1.10 5.021295411e+03 1.12 4.503431936e+03 1.14 4.042605289e+03 1.16 3.631420995e+03 1.18 3.264123639e+03 1.20 2.935934340e+03 1.22 2.642527885e+03 1.24 2.379731173e+03 1.26 2.143761163e+03 1.28 1.931651710e+03 1.30 1.741372639e+03 1.32 1.571400657e+03 1.34 1.420245735e+03 1.36 1.286335904e+03 1.38 1.168010767e+03 1.40 1.063549378e+03 1.42 9.712448766e+02 1.44 8.894669705e+02 1.46 8.166572721e+02 1.48 7.512886721e+02 1.50 6.919074816e+02 1.52 6.372840294e+02 1.54 5.865464870e+02 1.56 5.391804196e+02 1.58 4.949166070e+02 1.60 4.536163781e+02 1.62 4.151869727e+02 1.64 3.795356371e+02 1.66 3.465594523e+02 1.68 3.161470354e+02 1.70 2.881822846e+02 1.72 2.625488603e+02 1.74 2.391339598e+02 1.76 2.178292256e+02 1.78 1.985272117e+02 1.80 1.811147206e+02 1.82 1.654673766e+02 1.84 1.514480756e+02 1.86 1.389078183e+02 1.88 1.276874490e+02 1.90 1.176202696e+02 1.92 1.085361610e+02 1.94 1.002684836e+02 1.96 9.266476927e+01 1.98 8.559963610e+01 2.00 7.898473748e+01 2.02 7.276935061e+01 2.04 6.692957373e+01 2.06 6.145341128e+01 2.08 5.633158783e+01 2.10 5.155468955e+01 2.12 4.711261593e+01 2.14 4.299449506e+01 2.16 3.918862294e+01 2.18 3.568240811e+01 2.20 3.246233139e+01 2.22 2.951392537e+01 2.24 2.682177952e+01 2.26 2.436957904e+01 2.28 2.214018757e+01 2.30 2.011578652e+01 2.32 1.827808492e+01 2.34 1.660861319e+01 2.36 1.508910868e+01 2.38 1.370198829e+01 2.40 1.243088058e+01 2.42 1.126115554e+01 2.44 1.018035162e+01 2.46 9.178371830e+00 2.48 8.247338530e+00 2.50 7.381092050e+00 2.52 6.574492632e+00 2.54 5.822835195e+00 2.56 5.121629350e+00 2.58 4.466702222e+00 2.60 3.854380495e+00 2.62 3.281616860e+00 2.64 2.746047785e+00 2.66 2.245967162e+00 2.68 1.780202290e+00 2.70 1.347913104e+00 2.72 9.483799175e-01 2.74 5.808608738e-01 2.76 2.445519327e-01 2.78 -6.139650835e-02 2.80 -3.378658313e-01 2.82 -5.857687872e-01 2.84 -8.060522932e-01 2.86 -9.997000596e-01 2.88 -1.167734784e+00 2.90 -1.311219847e+00 2.92 -1.431260458e+00 2.94 -1.529004167e+00 2.96 -1.605640683e+00 2.98 -1.662400919e+00 3.00 -1.700555181e+00 3.02 -1.721410422e+00 3.04 -1.726306495e+00 3.06 -1.716611309e+00 3.08 -1.693714847e+00 3.10 -1.659021979e+00 3.12 -1.613944048e+00 3.14 -1.559889208e+00 3.16 -1.498251560e+00 3.18 -1.430399147e+00 3.20 -1.357660934e+00 3.22 -1.281312987e+00 3.24 -1.202564115e+00 3.26 -1.122541380e+00 3.28 -1.042275975e+00 3.30 -9.626901117e-01 3.32 -8.845857072e-01 3.34 -8.086358081e-01 3.36 -7.353798040e-01 3.38 -6.652235501e-01 3.40 -5.984454703e-01 3.42 -5.352094639e-01 3.44 -4.755849106e-01 3.46 -4.195731515e-01 3.48 -3.671384783e-01 3.50 -3.182399819e-01 3.52 -2.728589594e-01 3.54 -2.310157040e-01 3.56 -1.927704919e-01 3.58 -1.582073314e-01 3.60 -1.274051128e-01 3.62 -1.004061721e-01 3.64 -7.719238053e-02 3.66 -5.767254969e-02 3.68 -4.167835383e-02 3.70 -2.896533002e-02 3.72 -1.921824939e-02 3.74 -1.206159369e-02 3.76 -7.075883760e-03 3.78 -3.820020025e-03 3.80 -1.858684544e-03 3.82 -7.921889031e-04 3.84 -2.841681239e-04 3.86 -8.096696275e-05 3.88 -1.679607644e-05 3.90 -2.211204711e-06 3.92 -1.467894098e-07 3.94 -3.239689009e-09 3.96 -1.025793322e-11 3.98 -6.385545792e-16 4.00 -1.743566044e-24 4.02 -1.872748247e-51 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00