# 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 = STe3 # 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 2.725869270e+04 nan nan 0.88 2.376240899e+04 nan nan 0.90 2.078204746e+04 nan nan 0.92 1.822482941e+04 nan nan 0.94 1.601855722e+04 2.697880894e+04 nan 0.96 1.410529968e+04 2.376769772e+04 2.827252617e+04 0.98 1.244249321e+04 2.100118751e+04 2.500484103e+04 1.00 1.099784022e+04 1.860440865e+04 2.216491876e+04 1.02 9.742697105e+03 1.652044509e+04 1.968193210e+04 1.04 8.650456323e+03 1.470247124e+04 1.749981219e+04 1.06 7.698007208e+03 1.310902797e+04 1.557780377e+04 1.08 6.865103796e+03 1.170563231e+04 1.388581634e+04 1.10 6.133469350e+03 1.046607952e+04 1.239735895e+04 1.12 5.487829828e+03 9.370726877e+03 1.108784727e+04 1.14 4.916385470e+03 8.403258310e+03 9.935958587e+03 1.16 4.409282677e+03 7.548789635e+03 8.923270237e+03 1.18 3.957780154e+03 6.793519234e+03 8.031872286e+03 1.20 3.554897221e+03 6.124411754e+03 7.244064006e+03 1.22 3.195469036e+03 5.529339685e+03 6.544211064e+03 1.24 2.875332837e+03 4.997442191e+03 5.920010194e+03 1.26 2.590839945e+03 4.519847485e+03 5.362319119e+03 1.28 2.338724889e+03 4.090324605e+03 4.864287937e+03 1.30 2.115949706e+03 3.704666184e+03 4.420056578e+03 1.32 1.919457058e+03 3.359435594e+03 4.023852454e+03 1.34 1.745968912e+03 3.051263865e+03 3.669894966e+03 1.36 1.592064780e+03 2.776710689e+03 3.352496849e+03 1.38 1.454521224e+03 2.532221553e+03 3.066328498e+03 1.40 1.330704616e+03 2.314138066e+03 2.806844777e+03 1.42 1.218749115e+03 2.118827457e+03 2.570549790e+03 1.44 1.117374812e+03 1.942895511e+03 2.354983780e+03 1.46 1.025571009e+03 1.783459669e+03 2.158469469e+03 1.48 9.423987774e+02 1.638294939e+03 1.979726622e+03 1.50 8.669162947e+02 1.505728780e+03 1.817564394e+03 1.52 7.981760164e+02 1.384470245e+03 1.670714026e+03 1.54 7.352733151e+02 1.273512215e+03 1.537803373e+03 1.56 6.774024262e+02 1.172056084e+03 1.417384938e+03 1.58 6.238881488e+02 1.079410344e+03 1.307969032e+03 1.60 5.741985213e+02 9.948772246e+02 1.208078798e+03 1.62 5.279501026e+02 9.177089555e+02 1.116346522e+03 1.64 4.848925037e+02 8.471319690e+02 1.031625614e+03 1.66 4.448709435e+02 7.823968421e+02 9.530661029e+02 1.68 4.077773303e+02 7.228351431e+02 8.801063774e+02 1.70 3.735066244e+02 6.679031908e+02 8.123781145e+02 1.72 3.419393818e+02 6.171902581e+02 7.495948765e+02 1.74 3.129401396e+02 5.703879066e+02 6.914893832e+02 1.76 2.863590008e+02 5.272438195e+02 6.378005938e+02 1.78 2.620348345e+02 4.875207973e+02 5.882784551e+02 1.80 2.398002356e+02 4.509710575e+02 5.426831623e+02 1.82 2.194879791e+02 4.173326603e+02 5.007753510e+02 1.84 2.009379175e+02 3.863392763e+02 4.623053432e+02 1.86 1.840023706e+02 3.577337854e+02 4.270116278e+02 1.88 1.685479732e+02 3.312812027e+02 3.946288625e+02 1.90 1.544539281e+02 3.067767233e+02 3.649004003e+02 1.92 1.416098310e+02 2.840473274e+02 3.375920298e+02 1.94 1.299158485e+02 2.629508470e+02 3.125029835e+02 1.96 1.192831302e+02 2.433760352e+02 2.894688165e+02 1.98 1.096312534e+02 2.252391797e+02 2.683524761e+02 2.00 1.008835254e+02 2.084727046e+02 2.490269575e+02 2.02 9.296389308e+01 1.930114789e+02 2.313603892e+02 2.04 8.579751023e+01 1.787856010e+02 2.152109522e+02 2.06 7.931311300e+01 1.657193267e+02 2.004286824e+02 2.08 7.344487510e+01 1.537317962e+02 1.868600379e+02 2.10 6.813262324e+01 1.427382883e+02 1.743545176e+02 2.12 6.332033740e+01 1.326519706e+02 1.627730387e+02 2.14 5.895431935e+01 1.233860849e+02 1.519968150e+02 2.16 5.498266861e+01 1.148563637e+02 1.419342045e+02 2.18 5.135583501e+01 1.069833289e+02 1.325222778e+02 2.20 4.802706478e+01 9.969413034e+01 1.237212373e+02 2.22 4.495251093e+01 9.292384768e+01 1.155039782e+02 2.24 4.209153635e+01 8.661656530e+01 1.078467421e+02 2.26 3.940770152e+01 8.072638088e+01 1.007246586e+02 2.28 3.687018653e+01 7.521763816e+01 9.411072582e+01 2.30 3.445492894e+01 7.006341207e+01 8.797575625e+01 2.32 3.214504768e+01 6.524246334e+01 8.228847490e+01 2.34 2.993034007e+01 6.073622141e+01 7.701573251e+01 2.36 2.780570380e+01 5.652727541e+01 7.212287835e+01 2.38 2.576887060e+01 5.259921974e+01 6.757433572e+01 2.40 2.381851383e+01 4.893669391e+01 6.333441702e+01 2.42 2.195342915e+01 4.552503812e+01 5.936839035e+01 2.44 2.017242714e+01 4.234963548e+01 5.564375866e+01 2.46 1.847434653e+01 3.939529683e+01 5.213162804e+01 2.48 1.685804598e+01 3.664602966e+01 4.880793324e+01 2.50 1.532239174e+01 3.408517840e+01 4.565419115e+01 2.52 1.386624549e+01 3.169571976e+01 4.265744735e+01 2.54 1.248845253e+01 2.946064133e+01 3.980926768e+01 2.56 1.118783008e+01 2.736341541e+01 3.710403853e+01 2.58 9.963156079e+00 2.538855549e+01 3.453726728e+01 2.60 8.813158085e+00 2.352220962e+01 3.210456071e+01 2.62 7.736502724e+00 2.175270795e+01 2.980135173e+01 2.64 6.731785462e+00 2.007094624e+01 2.762294277e+01 2.66 5.797520904e+00 1.847047433e+01 2.556458231e+01 2.68 4.932133679e+00 1.694720085e+01 2.362154242e+01 2.70 4.133950017e+00 1.549874523e+01 2.178919798e+01 2.72 3.401190131e+00 1.412363890e+01 2.006309406e+01 2.74 2.731961560e+00 1.282067790e+01 1.843898234e+01 2.76 2.124253614e+00 1.158861442e+01 1.691280730e+01 2.78 1.575933101e+00 1.042610529e+01 1.548063354e+01 2.80 1.084741520e+00 9.331724175e+00 1.413852846e+01 2.82 6.482939260e-01 8.303961009e+00 1.288244415e+01 2.84 2.640796691e-01 7.341215983e+00 1.170815311e+01 2.86 -7.053476172e-02 6.441794323e+00 1.061126017e+01 2.88 -3.583005865e-01 5.603902504e+00 9.587261604e+00 2.90 -6.020790552e-01 4.825646196e+00 8.631615187e+00 2.92 -8.048310508e-01 4.105030255e+00 7.739815715e+00 2.94 -9.696038064e-01 3.439961107e+00 6.907480799e+00 2.96 -1.099514611e+00 2.828251893e+00 6.130445036e+00 2.98 -1.197731435e+00 2.267630762e+00 5.404856428e+00 3.00 -1.267450466e+00 1.755752671e+00 4.727265475e+00 3.02 -1.311870666e+00 1.290215019e+00 4.094694150e+00 3.04 -1.334165523e+00 8.685772942e-01 3.504669936e+00 3.06 -1.337452346e+00 4.883847368e-01 2.955211293e+00 3.08 -1.324759563e+00 1.471956540e-01 2.444757485e+00 3.10 -1.298992659e+00 -1.573884580e-01 1.972049097e+00 3.12 -1.262899571e+00 -4.276915389e-01 1.535983643e+00 3.14 -1.219036555e+00 -6.659327728e-01 1.135484994e+00 3.16 -1.169735733e+00 -8.742010125e-01 7.694223417e-01 3.18 -1.117075801e+00 -1.054438143e+00 4.365873019e-01 3.20 -1.062857588e+00 -1.208436065e+00 1.357043901e-01 3.22 -1.008586441e+00 -1.337851145e+00 -1.345561822e-01 3.24 -9.554636662e-01 -1.444237187e+00 -3.755727846e-01 3.26 -9.043893496e-01 -1.529092801e+00 -5.887690107e-01 3.28 -8.559787765e-01 -1.593912345e+00 -7.756097130e-01 3.30 -8.105939128e-01 -1.640224785e+00 -9.375959811e-01 3.32 -7.683897025e-01 -1.669607135e+00 -1.076259005e+00 3.34 -7.293718266e-01 -1.683671566e+00 -1.193152786e+00 3.36 -6.934580959e-01 -1.684040105e+00 -1.289845681e+00 3.38 -6.605309528e-01 -1.672322484e+00 -1.367910784e+00 3.40 -6.304666446e-01 -1.650100368e+00 -1.428915188e+00 3.42 -6.031319500e-01 -1.618913559e+00 -1.474408178e+00 3.44 -5.783540683e-01 -1.580245846e+00 -1.505908491e+00 3.46 -5.558863110e-01 -1.535510345e+00 -1.524890773e+00 3.48 -5.353948094e-01 -1.486034577e+00 -1.532771481e+00 3.50 -5.164733966e-01 -1.433045621e+00 -1.530894494e+00 3.52 -4.986766279e-01 -1.377655754e+00 -1.520516839e+00 3.54 -4.815606618e-01 -1.320849076e+00 -1.502795010e+00 3.56 -4.647255421e-01 -1.263469781e+00 -1.478772515e+00 3.58 -4.478519155e-01 -1.206212809e+00 -1.449369466e+00 3.60 -4.307241576e-01 -1.149617861e+00 -1.415375175e+00 3.62 -4.132335236e-01 -1.094067843e+00 -1.377444966e+00 3.64 -3.953605836e-01 -1.039793008e+00 -1.336102521e+00 3.66 -3.771445848e-01 -9.868820328e-01 -1.291749136e+00 3.68 -3.586532097e-01 -9.353011272e-01 -1.244681017e+00 3.70 -3.399634049e-01 -8.849216725e-01 -1.195115089e+00 3.72 -3.211539716e-01 -8.355558151e-01 -1.143222537e+00 3.74 -3.023039417e-01 -7.869977123e-01 -1.089167289e+00 3.76 -2.834922499e-01 -7.390659174e-01 -1.033144276e+00 3.78 -2.647974863e-01 -6.916402660e-01 -9.754101289e-01 3.80 -2.462976091e-01 -6.446857500e-01 -9.162986133e-01 3.82 -2.280696119e-01 -5.982577342e-01 -8.562161829e-01 3.84 -2.101891440e-01 -5.524882401e-01 -7.956199812e-01 3.86 -1.927300797e-01 -5.075601530e-01 -7.349884638e-01 3.88 -1.757640354e-01 -4.636803479e-01 -6.747970464e-01 3.90 -1.593598333e-01 -4.210600168e-01 -6.155044118e-01 3.92 -1.435829102e-01 -3.799036812e-01 -5.575461947e-01 3.94 -1.284946734e-01 -3.404039763e-01 -5.013309590e-01 3.96 -1.141518047e-01 -3.027388954e-01 -4.472364347e-01 3.98 -1.006055169e-01 -2.670695905e-01 -3.956057605e-01 4.00 -8.790077058e-02 -2.335381791e-01 -3.467437809e-01 4.02 -7.607546095e-02 -2.022655169e-01 -3.009134623e-01 4.04 -6.515958956e-02 -1.733489767e-01 -2.583325089e-01 4.06 -5.517444121e-02 -1.468602884e-01 -2.191702692e-01 4.08 -4.613179251e-02 -1.228435125e-01 -1.835450404e-01 4.10 -3.803318649e-02 -1.013132348e-01 -1.515218943e-01 4.12 -3.086931613e-02 -8.225309326e-02 -1.231111721e-01 4.14 -2.461956942e-02 -6.561477005e-02 -9.826781796e-02 4.16 -1.925179814e-02 -5.131760494e-02 -7.689174826e-02 4.18 -1.472238144e-02 -3.924900868e-02 -5.882947801e-02 4.20 -1.097666118e-02 -2.926586995e-02 -4.387724549e-02 4.22 -7.949826946e-03 -2.119715104e-02 -3.178587819e-02 4.24 -5.568320147e-03 -1.484784692e-02 -2.226761731e-02 4.26 -3.751805064e-03 -1.000442658e-02 -1.500504380e-02 4.28 -2.415714094e-03 -6.441770863e-03 -9.662106070e-03 4.30 -1.474311082e-03 -3.931455771e-03 -5.897016816e-03 4.32 -8.441283940e-04 -2.250998526e-03 -3.376454375e-03 4.34 -4.475251226e-04 -1.193398050e-03 -1.790087680e-03 4.36 -2.160012293e-04 -5.760028848e-04 -8.640027041e-04 4.38 -9.281711015e-05 -2.475122423e-04 -3.712681512e-04 4.40 -3.445811614e-05 -9.188830498e-05 -1.378324379e-04 4.42 -1.060433507e-05 -2.827822657e-05 -4.241733870e-05 4.44 -2.551263263e-06 -6.803368693e-06 -1.020505300e-05 4.46 -4.403738082e-07 -1.174330155e-06 -1.761495232e-06 4.48 -4.783788896e-08 -1.275677039e-07 -1.913515558e-07 4.50 -2.649752723e-09 -7.066007261e-09 -1.059901089e-08 4.52 -5.217143248e-11 -1.391238199e-10 -2.086857299e-10 4.54 -1.860005621e-13 -4.960014989e-13 -7.440022484e-13 4.56 -2.890825799e-17 -7.708868797e-17 -1.156330320e-16 4.58 -5.273596167e-24 -1.406292311e-23 -2.109438467e-23 4.60 -3.617002431e-39 -9.645339815e-39 -1.446800972e-38 4.62 -7.033445854e-105 -1.875585561e-104 -2.813378342e-104 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 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