# 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 = S2Zn # 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 1.764457272e+04 0.88 1.531607353e+04 0.90 1.333349618e+04 0.92 1.163597597e+04 0.94 1.018110821e+04 0.96 8.936957102e+03 0.98 7.873751022e+03 1.00 6.961791362e+03 1.02 6.174511974e+03 1.04 5.491578162e+03 1.06 4.897478946e+03 1.08 4.378378857e+03 1.10 3.921718496e+03 1.12 3.516183974e+03 1.14 3.152468155e+03 1.16 2.824272734e+03 1.18 2.527729197e+03 1.20 2.260387669e+03 1.22 2.020626592e+03 1.24 1.807124523e+03 1.26 1.618355880e+03 1.28 1.452413306e+03 1.30 1.307008441e+03 1.32 1.179544205e+03 1.34 1.067283535e+03 1.36 9.676323389e+02 1.38 8.784730521e+02 1.40 7.983453749e+02 1.42 7.262690529e+02 1.44 6.613807847e+02 1.46 6.027798354e+02 1.48 5.495779863e+02 1.50 5.010039805e+02 1.52 4.564989321e+02 1.54 4.157332750e+02 1.56 3.785123297e+02 1.58 3.446610325e+02 1.60 3.139808516e+02 1.62 2.862482403e+02 1.64 2.612206828e+02 1.66 2.386465642e+02 1.68 2.182774456e+02 1.70 1.998786022e+02 1.72 1.832323244e+02 1.74 1.681336296e+02 1.76 1.543879508e+02 1.78 1.418182008e+02 1.80 1.302753029e+02 1.82 1.196433997e+02 1.84 1.098347088e+02 1.86 1.007760395e+02 1.88 9.239738555e+01 1.90 8.463015588e+01 1.92 7.741135411e+01 1.94 7.068839377e+01 1.96 6.442201933e+01 1.98 5.858544802e+01 2.00 5.315978163e+01 2.02 4.812896747e+01 2.04 4.347760677e+01 2.06 3.919086848e+01 2.08 3.525450411e+01 2.10 3.165443298e+01 2.12 2.837601169e+01 2.14 2.540334818e+01 2.16 2.271896706e+01 2.18 2.030376851e+01 2.20 1.813709241e+01 2.22 1.619685543e+01 2.24 1.445979740e+01 2.26 1.290187542e+01 2.28 1.149884356e+01 2.30 1.022704528e+01 2.32 9.064410306e+00 2.34 7.991577108e+00 2.36 6.992952476e+00 2.38 6.057400128e+00 2.40 5.178206131e+00 2.42 4.352140908e+00 2.44 3.577901136e+00 2.46 2.854703754e+00 2.48 2.181673028e+00 2.50 1.557837771e+00 2.52 9.822008146e-01 2.54 4.537447958e-01 2.56 -2.857517999e-02 2.58 -4.658390517e-01 2.60 -8.591690394e-01 2.62 -1.209736570e+00 2.64 -1.518768841e+00 2.66 -1.787554967e+00 2.68 -2.017451641e+00 2.70 -2.209888216e+00 2.72 -2.366371137e+00 2.74 -2.488487593e+00 2.76 -2.577908288e+00 2.78 -2.636389199e+00 2.80 -2.665772164e+00 2.82 -2.667984180e+00 2.84 -2.645035220e+00 2.86 -2.599014429e+00 2.88 -2.532084530e+00 2.90 -2.446474263e+00 2.92 -2.344468740e+00 2.94 -2.228397544e+00 2.96 -2.100620497e+00 2.98 -1.963511007e+00 3.00 -1.819436973e+00 3.02 -1.670739292e+00 3.04 -1.519708077e+00 3.06 -1.368556770e+00 3.08 -1.219394472e+00 3.10 -1.074196886e+00 3.12 -9.347764321e-01 3.14 -8.027522087e-01 3.16 -6.795206607e-01 3.18 -5.662279683e-01 3.20 -4.637453875e-01 3.22 -3.726490030e-01 3.24 -2.932056267e-01 3.26 -2.253668789e-01 3.28 -1.687737950e-01 3.30 -1.227745010e-01 3.32 -8.645742376e-02 3.34 -5.870180061e-02 3.36 -3.824550834e-02 3.38 -2.376701827e-02 3.40 -1.397362623e-02 3.42 -7.683118587e-03 3.44 -3.883589237e-03 3.46 -1.760287185e-03 3.48 -6.907943806e-04 3.50 -2.236088184e-04 3.52 -5.575421590e-05 3.54 -9.663661184e-06 3.56 -9.882570736e-07 3.58 -4.506802027e-08 3.60 -5.445065941e-10 3.62 -5.854557019e-13 3.64 -3.631707106e-18 3.66 -1.120795502e-29 3.68 -1.812674091e-76 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 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