# 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 = CdS3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 2.538771145e+04 nan nan 0.88 2.209049438e+04 nan nan 0.90 1.926833687e+04 nan nan 0.92 1.685544269e+04 nan nan 0.94 1.478758755e+04 2.510100074e+04 nan 0.96 1.301030025e+04 2.205566303e+04 2.626413083e+04 0.98 1.147922830e+04 1.942856417e+04 2.319146870e+04 1.00 1.015412146e+04 1.717390549e+04 2.053128221e+04 1.02 9.003244456e+03 1.524107702e+04 1.821316656e+04 1.04 8.001808322e+03 1.357419416e+04 1.618785679e+04 1.06 7.125283818e+03 1.212029481e+04 1.441685855e+04 1.08 6.351010606e+03 1.083880118e+04 1.286138650e+04 1.10 5.662378257e+03 9.703719531e+03 1.148784923e+04 1.12 5.049020870e+03 8.695239475e+03 1.027263299e+04 1.14 4.503544001e+03 7.796074545e+03 9.199007521e+03 1.16 4.019795582e+03 6.993045079e+03 8.252060667e+03 1.18 3.592521687e+03 6.275997514e+03 7.416356120e+03 1.20 3.216647502e+03 5.635538961e+03 6.676152848e+03 1.22 2.887013880e+03 5.063300668e+03 6.017373698e+03 1.24 2.598458655e+03 4.553036014e+03 5.429613264e+03 1.26 2.345811424e+03 4.099812954e+03 4.905908916e+03 1.28 2.124229722e+03 3.698605214e+03 4.440466225e+03 1.30 1.929342157e+03 3.344280969e+03 4.027530358e+03 1.32 1.756914589e+03 3.031993228e+03 3.661397599e+03 1.34 1.602728994e+03 2.757128277e+03 3.336285759e+03 1.36 1.463051120e+03 2.514962284e+03 3.046123514e+03 1.38 1.335257095e+03 2.300690852e+03 2.785188005e+03 1.40 1.217814930e+03 2.109785715e+03 2.549144080e+03 1.42 1.109794145e+03 1.938287120e+03 2.335022159e+03 1.44 1.010629034e+03 1.782922703e+03 2.140298434e+03 1.46 9.199889037e+02 1.641083576e+03 1.962644985e+03 1.48 8.375868142e+02 1.510717564e+03 1.800197739e+03 1.50 7.630294111e+02 1.390171815e+03 1.651686086e+03 1.52 6.957706248e+02 1.278105327e+03 1.516207763e+03 1.54 6.351125017e+02 1.173557685e+03 1.392863888e+03 1.56 5.802455882e+02 1.075942485e+03 1.280606159e+03 1.58 5.303440056e+02 9.849344639e+02 1.178265295e+03 1.60 4.846976628e+02 9.003309971e+02 1.084640273e+03 1.62 4.427957337e+02 8.219434720e+02 9.986201926e+02 1.64 4.042797394e+02 7.495647286e+02 9.193013095e+02 1.66 3.688555621e+02 6.829786830e+02 8.460242818e+02 1.68 3.362737226e+02 6.219744584e+02 7.782811316e+02 1.70 3.063292110e+02 5.663528373e+02 7.156029412e+02 1.72 2.788506764e+02 5.159166871e+02 6.575522303e+02 1.74 2.536943952e+02 4.704458315e+02 6.037623756e+02 1.76 2.307457364e+02 4.296729277e+02 5.539628030e+02 1.78 2.099126316e+02 3.932760695e+02 5.079654448e+02 1.80 1.911085287e+02 3.608855107e+02 4.656170762e+02 1.82 1.742378529e+02 3.320984289e+02 4.267568483e+02 1.84 1.591913951e+02 3.064963767e+02 3.912035393e+02 1.86 1.458464191e+02 2.836578767e+02 3.587585584e+02 1.88 1.340677866e+02 2.631690477e+02 3.292130237e+02 1.90 1.237097668e+02 2.446488279e+02 3.023571829e+02 1.92 1.146184720e+02 2.277827670e+02 2.779908822e+02 1.94 1.066347046e+02 2.123325609e+02 2.559323079e+02 1.96 9.959694126e+01 1.981113180e+02 2.360209209e+02 1.98 9.334452442e+01 1.849579660e+02 2.181109230e+02 2.00 8.772215364e+01 1.727327297e+02 2.020560493e+02 2.02 8.258759942e+01 1.613213957e+02 1.876943501e+02 2.04 7.782170008e+01 1.506404104e+02 1.748432314e+02 2.06 7.333423016e+01 1.406374429e+02 1.633057748e+02 2.08 6.906215561e+01 1.312831884e+02 1.528846011e+02 2.10 6.496542691e+01 1.225580742e+02 1.434000302e+02 2.12 6.102249403e+01 1.144425140e+02 1.347053611e+02 2.14 5.722304132e+01 1.069137113e+02 1.266887837e+02 2.16 5.356102070e+01 9.994514981e+01 1.192597054e+02 2.18 5.003177090e+01 9.350639044e+01 1.123345287e+02 2.20 4.663176102e+01 8.756298825e+01 1.058345639e+02 2.22 4.335855312e+01 8.207660430e+01 9.969067563e+01 2.24 4.021054610e+01 7.700539111e+01 9.384827836e+01 2.26 3.718662804e+01 7.230473928e+01 8.827026176e+01 2.28 3.428590328e+01 6.792846481e+01 8.293608446e+01 2.30 3.150757079e+01 6.383047860e+01 7.783682840e+01 2.32 2.885088849e+01 5.996689549e+01 7.296877996e+01 2.34 2.631515125e+01 5.629840092e+01 6.832918630e+01 2.36 2.389966780e+01 5.279250997e+01 6.391499287e+01 2.38 2.160373728e+01 4.942517834e+01 5.972270686e+01 2.40 1.942662573e+01 4.618116458e+01 5.574832902e+01 2.42 1.736754242e+01 4.305275901e+01 5.198727525e+01 2.44 1.542561597e+01 4.003715025e+01 4.843430190e+01 2.46 1.359987049e+01 3.713361169e+01 4.508343847e+01 2.48 1.188920154e+01 3.434184376e+01 4.192793217e+01 2.50 1.029235223e+01 3.166156515e+01 3.896020982e+01 2.52 8.807889536e+00 2.909250883e+01 3.617186413e+01 2.54 7.434180919e+00 2.663441352e+01 3.355367247e+01 2.56 6.169371663e+00 2.428700404e+01 3.109565781e+01 2.58 5.011363069e+00 2.204997058e+01 2.878720151e+01 2.60 3.957791935e+00 1.992294738e+01 2.661721726e+01 2.62 3.006011711e+00 1.790549085e+01 2.457439250e+01 2.64 2.153075822e+00 1.599705697e+01 2.264749798e+01 2.66 1.395723695e+00 1.419697823e+01 2.082575607e+01 2.68 7.303701279e-01 1.250444000e+01 1.909924432e+01 2.70 1.530986731e-01 1.091845661e+01 1.745929283e+01 2.72 -3.403402024e-01 9.437847254e+00 1.589881598e+01 2.74 -7.545254004e-01 8.061211913e+00 1.441250680e+01 2.76 -1.094355085e+00 6.786907825e+00 1.299682610e+01 2.78 -1.365029363e+00 5.613026758e+00 1.164974928e+01 2.80 -1.572024954e+00 4.537373760e+00 1.037030387e+01 2.82 -1.721061136e+00 3.557448050e+00 9.158031851e+00 2.84 -1.818056379e+00 2.670426931e+00 8.012575810e+00 2.86 -1.869075282e+00 1.873153770e+00 6.933504257e+00 2.88 -1.880265715e+00 1.162131314e+00 5.920298913e+00 2.90 -1.857786408e+00 5.335218311e-01 4.972365660e+00 2.92 -1.807725716e+00 -1.684421438e-02 4.089029180e+00 2.94 -1.736012789e+00 -4.934490150e-01 3.269522889e+00 2.96 -1.648323022e+00 -9.010557310e-01 2.512978666e+00 2.98 -1.549980318e+00 -1.244662184e+00 1.818416723e+00 3.00 -1.445859410e+00 -1.529438124e+00 1.184735717e+00 3.02 -1.340292215e+00 -1.760645004e+00 6.107032459e-01 3.04 -1.236982860e+00 -1.943538687e+00 9.494685908e-02 3.06 -1.138936684e+00 -2.083258101e+00 -3.640542122e-01 3.08 -1.048409059e+00 -2.184706880e+00 -7.679764158e-01 3.10 -9.668802989e-01 -2.252440510e+00 -1.118658084e+00 3.12 -8.950630450e-01 -2.290577560e+00 -1.418104217e+00 3.14 -8.329480605e-01 -2.302757772e+00 -1.668489546e+00 3.16 -7.798925856e-01 -2.292166886e+00 -1.872159550e+00 3.18 -7.347514973e-01 -2.261631389e+00 -2.031629068e+00 3.20 -6.960445647e-01 -2.213753401e+00 -2.149578144e+00 3.22 -6.621436227e-01 -2.151021340e+00 -2.228844710e+00 3.24 -6.314550089e-01 -2.075835521e+00 -2.272413738e+00 3.26 -6.025720246e-01 -1.990455174e+00 -2.283402476e+00 3.28 -5.743839716e-01 -1.896938396e+00 -2.265041469e+00 3.30 -5.461416746e-01 -1.797118371e+00 -2.220651072e+00 3.32 -5.174704379e-01 -1.692606810e+00 -2.153613306e+00 3.34 -4.883030141e-01 -1.584815249e+00 -2.067339018e+00 3.36 -4.587450030e-01 -1.474992354e+00 -1.965230471e+00 3.38 -4.289574735e-01 -1.364273208e+00 -1.850639718e+00 3.40 -3.991099890e-01 -1.253731732e+00 -1.726823362e+00 3.42 -3.693728895e-01 -1.144422847e+00 -1.596894616e+00 3.44 -3.399162080e-01 -1.037399553e+00 -1.463773912e+00 3.46 -3.109087149e-01 -9.336956371e-01 -1.330139677e+00 3.48 -2.825167896e-01 -8.342783312e-01 -1.198381355e+00 3.50 -2.549031082e-01 -7.399903777e-01 -1.070557183e+00 3.52 -2.282251342e-01 -6.515038735e-01 -9.483597794e-01 3.54 -2.026334056e-01 -5.692946499e-01 -8.330931555e-01 3.56 -1.782696148e-01 -4.936331468e-01 -7.256653720e-01 3.58 -1.552644829e-01 -4.245887898e-01 -6.266014113e-01 3.60 -1.337354420e-01 -3.620496322e-01 -5.360806264e-01 3.62 -1.137841478e-01 -3.057594555e-01 -4.540013910e-01 3.64 -9.549386443e-02 -2.553716432e-01 -3.800711494e-01 3.66 -7.892678518e-02 -2.105135454e-01 -3.139118183e-01 3.68 -6.412138103e-02 -1.708473539e-01 -2.551591242e-01 3.70 -5.108990587e-02 -1.361072202e-01 -2.035251599e-01 3.72 -3.981623114e-02 -1.060949681e-01 -1.587975538e-01 3.74 -3.025423292e-02 -8.063530136e-02 -1.207767453e-01 3.76 -2.232700806e-02 -5.951833079e-02 -8.919352072e-02 3.78 -1.592724454e-02 -4.246370447e-02 -6.365864770e-02 3.80 -1.091910202e-02 -2.911402897e-02 -4.365629075e-02 3.82 -7.141949414e-03 -1.904392093e-02 -2.856061169e-02 3.84 -4.416226652e-03 -1.177620548e-02 -1.766266267e-02 3.86 -2.551509854e-03 -6.803920403e-03 -1.020544388e-02 3.88 -1.356526281e-03 -3.617380393e-03 -5.425975623e-03 3.90 -6.503740974e-04 -1.734327019e-03 -2.601474411e-03 3.92 -2.735991888e-04 -7.295973522e-04 -1.094394029e-03 3.94 -9.722622840e-05 -2.592699023e-04 -3.889046880e-04 3.96 -2.764282029e-05 -7.371418550e-05 -1.105712702e-04 3.98 -5.801971386e-06 -1.547192365e-05 -2.320788529e-05 4.00 -7.938159069e-07 -2.116842418e-06 -3.175263626e-06 4.02 -5.777415062e-08 -1.540644016e-07 -2.310966025e-07 4.04 -1.566327991e-09 -4.176874643e-09 -6.265311965e-09 4.06 -7.960879009e-12 -2.122901069e-11 -3.184351604e-11 4.08 -1.666590775e-15 -4.444242067e-15 -6.666363100e-15 4.10 -2.299823888e-22 -6.132863703e-22 -9.199295554e-22 4.12 -1.143537780e-39 -3.049434080e-39 -4.574151120e-39 4.14 -3.507228806e-167 -9.352610149e-167 -1.402891522e-166 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 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