# 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 = Te2Zn # 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 2.395234379e+04 0.88 2.088788380e+04 0.90 1.824543004e+04 0.92 1.595365546e+04 0.94 1.397026949e+04 0.96 1.226022816e+04 0.98 1.078630680e+04 1.00 9.513692749e+03 1.02 8.414329890e+03 1.04 7.464790759e+03 1.06 6.642948320e+03 1.08 5.927804643e+03 1.10 5.302007075e+03 1.12 4.753470178e+03 1.14 4.272852741e+03 1.16 3.851332130e+03 1.18 3.480182756e+03 1.20 3.150803824e+03 1.22 2.855312080e+03 1.24 2.587284076e+03 1.26 2.342511631e+03 1.28 2.118889821e+03 1.30 1.915240959e+03 1.32 1.730559813e+03 1.34 1.563891809e+03 1.36 1.414297182e+03 1.38 1.280717568e+03 1.40 1.161853979e+03 1.42 1.056152311e+03 1.44 9.618796661e+02 1.46 8.772859970e+02 1.48 8.008256810e+02 1.50 7.313225134e+02 1.52 6.679448924e+02 1.54 6.100740001e+02 1.56 5.572332663e+02 1.58 5.090289587e+02 1.60 4.650798871e+02 1.62 4.249933025e+02 1.64 3.883837581e+02 1.66 3.549050757e+02 1.68 3.242799270e+02 1.70 2.963109971e+02 1.72 2.708614166e+02 1.74 2.478146556e+02 1.76 2.270440922e+02 1.78 2.084038031e+02 1.80 1.917281011e+02 1.82 1.768329645e+02 1.84 1.635192532e+02 1.86 1.515783984e+02 1.88 1.408011645e+02 1.90 1.309896037e+02 1.92 1.219712619e+02 1.94 1.136125766e+02 1.96 1.058248384e+02 1.98 9.855523185e+01 2.00 9.176693116e+01 2.02 8.542522520e+01 2.04 7.949497561e+01 2.06 7.394161527e+01 2.08 6.873226101e+01 2.10 6.383661728e+01 2.12 5.922768518e+01 2.14 5.488248006e+01 2.16 5.078278884e+01 2.18 4.691547525e+01 2.20 4.327176618e+01 2.22 3.984559639e+01 2.24 3.663181440e+01 2.26 3.362511334e+01 2.28 3.081973190e+01 2.30 2.820940998e+01 2.32 2.578735630e+01 2.34 2.354621863e+01 2.36 2.147806210e+01 2.38 1.957435801e+01 2.40 1.782598599e+01 2.42 1.622325356e+01 2.44 1.475593785e+01 2.46 1.341335588e+01 2.48 1.218447063e+01 2.50 1.105804088e+01 2.52 1.002282210e+01 2.54 9.067822631e+00 2.56 8.182612396e+00 2.58 7.357669178e+00 2.60 6.584728991e+00 2.62 5.857084940e+00 2.64 5.169759757e+00 2.66 4.519475981e+00 2.68 3.904383674e+00 2.70 3.323589931e+00 2.72 2.776640960e+00 2.74 2.263151617e+00 2.76 1.782673484e+00 2.78 1.334710067e+00 2.80 9.187429347e-01 2.82 5.342345103e-01 2.84 1.806241976e-01 2.86 -1.426758480e-01 2.88 -4.362848596e-01 2.90 -7.008574832e-01 2.92 -9.370876610e-01 2.94 -1.145712340e+00 2.96 -1.327514968e+00 2.98 -1.483328732e+00 3.00 -1.614039491e+00 3.02 -1.720588333e+00 3.04 -1.803973709e+00 3.06 -1.865253058e+00 3.08 -1.905543846e+00 3.10 -1.926023931e+00 3.12 -1.927931176e+00 3.14 -1.912562183e+00 3.16 -1.881270076e+00 3.18 -1.835461217e+00 3.20 -1.776590743e+00 3.22 -1.706156845e+00 3.24 -1.625693679e+00 3.26 -1.536762841e+00 3.28 -1.440943338e+00 3.30 -1.339820015e+00 3.32 -1.234970440e+00 3.34 -1.127950260e+00 3.36 -1.020277119e+00 3.38 -9.134132525e-01 3.40 -8.087469628e-01 3.42 -7.075732126e-01 3.44 -6.110736887e-01 3.46 -5.202967437e-01 3.48 -4.361377312e-01 3.50 -3.593203547e-01 3.52 -2.903797808e-01 3.54 -2.296484253e-01 3.56 -1.772455253e-01 3.58 -1.330718605e-01 3.60 -9.681128173e-02 3.62 -6.794100314e-02 3.64 -4.575279756e-02 3.66 -2.938709675e-02 3.68 -1.788118000e-02 3.70 -1.023069089e-02 3.72 -5.460291436e-03 3.74 -2.694524762e-03 3.76 -1.215357898e-03 3.78 -4.916874717e-04 3.80 -1.724486854e-04 3.82 -4.953565351e-05 3.84 -1.071292558e-05 3.86 -1.546800840e-06 3.88 -1.238031820e-07 3.90 -3.997828512e-09 3.92 -2.871077862e-11 3.94 -1.297256278e-14 3.96 -1.463534160e-20 3.98 -4.434744716e-34 4.00 -6.537810524e-95 4.02 0.000000000e+00 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