# 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 = S3Zn # 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 2.143030601e+04 nan nan 0.88 1.864463520e+04 nan nan 0.90 1.626246247e+04 nan nan 0.92 1.422737441e+04 nan nan 0.94 1.248499049e+04 2.117924707e+04 nan 0.96 1.098624179e+04 1.864140582e+04 2.219275386e+04 0.98 9.691116619e+03 1.644745516e+04 1.956388888e+04 1.00 8.566794387e+03 1.454643835e+04 1.727830846e+04 1.02 7.586751818e+03 1.289299739e+04 1.529319034e+04 1.04 6.728658092e+03 1.145144600e+04 1.356990002e+04 1.06 5.973481892e+03 1.019398186e+04 1.207120907e+04 1.08 5.306760226e+03 9.095756083e+03 1.076189385e+04 1.10 4.718101911e+03 8.133096779e+03 9.612675871e+03 1.12 4.198891222e+03 7.283369175e+03 8.601123292e+03 1.14 3.741436231e+03 6.527020787e+03 7.709027749e+03 1.16 3.339470266e+03 5.850545616e+03 6.921391389e+03 1.18 2.987897655e+03 5.245909024e+03 6.225761392e+03 1.20 2.681673773e+03 4.707513228e+03 5.611193448e+03 1.22 2.415121952e+03 4.230413243e+03 5.067466494e+03 1.24 2.182113545e+03 3.809533918e+03 4.584905846e+03 1.26 1.976727672e+03 3.439112945e+03 4.154843382e+03 1.28 1.794084743e+03 3.112815623e+03 3.769717110e+03 1.30 1.630763180e+03 2.824300173e+03 3.423170238e+03 1.32 1.484406205e+03 2.567822459e+03 3.110599629e+03 1.34 1.353041442e+03 2.338490286e+03 2.829025160e+03 1.36 1.234720702e+03 2.132224654e+03 2.576074830e+03 1.38 1.127555411e+03 1.945867911e+03 2.349292382e+03 1.40 1.029903587e+03 1.777246339e+03 2.146053976e+03 1.42 9.404762707e+02 1.624833215e+03 1.963593549e+03 1.44 8.583258965e+02 1.487204802e+03 1.799061587e+03 1.46 7.827755910e+02 1.362790916e+03 1.649748143e+03 1.48 7.132973201e+02 1.249925754e+03 1.513401557e+03 1.50 6.494371596e+02 1.146996256e+03 1.388398595e+03 1.52 5.908215335e+02 1.052616657e+03 1.273600608e+03 1.54 5.371516952e+02 9.657488390e+02 1.168086252e+03 1.56 4.881563707e+02 8.856938447e+02 1.071060606e+03 1.58 4.435432611e+02 8.119841598e+02 9.818665970e+02 1.60 4.029865944e+02 7.442530428e+02 8.999636749e+02 1.62 3.661389834e+02 6.821328738e+02 8.248794672e+02 1.64 3.326525089e+02 6.252268212e+02 7.561588955e+02 1.66 3.022031383e+02 5.731235698e+02 6.933249600e+02 1.68 2.745091309e+02 5.254215662e+02 6.358757150e+02 1.70 2.493334020e+02 4.817514103e+02 5.833098036e+02 1.72 2.264726918e+02 4.417856536e+02 5.351621896e+02 1.74 2.057506389e+02 4.052321242e+02 4.910390283e+02 1.76 1.870180319e+02 3.718228725e+02 4.506360340e+02 1.78 1.701464306e+02 3.413114702e+02 4.137232698e+02 1.80 1.550128152e+02 3.134760935e+02 3.801000606e+02 1.82 1.414873256e+02 2.881215684e+02 3.495551848e+02 1.84 1.294310088e+02 2.650732330e+02 3.218545845e+02 1.86 1.186987517e+02 2.441618365e+02 2.967438130e+02 1.88 1.091439724e+02 2.252100213e+02 2.739551022e+02 1.90 1.006244036e+02 2.080294307e+02 2.532184230e+02 1.92 9.300787294e+01 1.924256395e+02 2.342763546e+02 1.94 8.617615419e+01 1.782057278e+02 2.169006875e+02 1.96 8.002495275e+01 1.651863110e+02 2.009060401e+02 1.98 7.445989502e+01 1.532003743e+02 1.861543659e+02 2.00 6.939138455e+01 1.421023980e+02 1.725475497e+02 2.02 6.473246792e+01 1.317733149e+02 1.600131169e+02 2.04 6.040169744e+01 1.221255928e+02 1.484909031e+02 2.06 5.632914910e+01 1.131038355e+02 1.379228236e+02 2.08 5.246217617e+01 1.046768796e+02 1.282463810e+02 2.10 4.876792458e+01 9.682489327e+01 1.193926656e+02 2.12 4.523054158e+01 8.952965995e+01 1.112867029e+02 2.14 4.184407915e+01 8.277101073e+01 1.038486669e+02 2.16 3.860578233e+01 7.652602515e+01 9.699597544e+01 2.18 3.551329978e+01 7.076876766e+01 9.064645931e+01 2.20 3.256437258e+01 6.547017745e+01 8.472259964e+01 2.22 2.975684328e+01 6.059808549e+01 7.915641578e+01 2.24 2.708863057e+01 5.611741916e+01 7.389396786e+01 2.26 2.455770187e+01 5.199067302e+01 6.889784803e+01 2.28 2.216204662e+01 4.817873152e+01 6.414610536e+01 2.30 1.989965024e+01 4.464211698e+01 5.962753582e+01 2.32 1.776846872e+01 4.134268294e+01 5.533580322e+01 2.34 1.576640392e+01 3.824565623e+01 5.126571658e+01 2.36 1.389127949e+01 3.532173876e+01 4.741225200e+01 2.38 1.214081766e+01 3.254874756e+01 4.377051655e+01 2.40 1.051261685e+01 2.991213133e+01 4.033568332e+01 2.42 9.004130278e+00 2.740390017e+01 3.710283858e+01 2.44 7.612645830e+00 2.502023067e+01 3.406678209e+01 2.46 6.335267304e+00 2.275893232e+01 3.122184005e+01 2.48 5.168897327e+00 2.061801524e+01 2.856174346e+01 2.50 4.110222266e+00 1.859537813e+01 2.607957490e+01 2.52 3.155699431e+00 1.668882344e+01 2.376775182e+01 2.54 2.301547002e+00 1.489605280e+01 2.161803221e+01 2.56 1.543737050e+00 1.321465180e+01 1.962154932e+01 2.58 8.779921507e-01 1.164207600e+01 1.776888499e+01 2.60 2.997860339e-01 1.017563855e+01 1.605019024e+01 2.62 -1.956512201e-01 8.812500109e+00 1.445536099e+01 2.64 -6.133229512e-01 7.549661166e+00 1.297427333e+01 2.66 -9.584501854e-01 6.383957344e+00 1.159707611e+01 2.68 -1.236449963e+00 5.312058120e+00 1.031452697e+01 2.70 -1.452907371e+00 4.330469475e+00 9.118340446e+00 2.72 -1.613541025e+00 3.435541019e+00 8.001495988e+00 2.74 -1.724161886e+00 2.623478110e+00 6.958434211e+00 2.76 -1.790625475e+00 1.890359467e+00 5.985066027e+00 2.78 -1.818777796e+00 1.232160622e+00 5.078549939e+00 2.80 -1.814395500e+00 6.447833856e-01 4.236871412e+00 2.82 -1.783121181e+00 1.240911311e-01 3.458363713e+00 2.84 -1.730394973e+00 -3.340508229e-01 2.741359480e+00 2.86 -1.661384004e+00 -7.337311839e-01 2.084065502e+00 2.88 -1.580911593e+00 -1.078947464e+00 1.484574940e+00 2.90 -1.493388407e+00 -1.373563208e+00 9.408900979e-01 2.92 -1.402748138e+00 -1.621272588e+00 4.509268208e-01 2.94 -1.312390481e+00 -1.825578259e+00 1.251524685e-02 2.96 -1.225134514e+00 -1.989788526e+00 -3.765982427e-01 2.98 -1.143185739e+00 -2.117038242e+00 -7.187474983e-01 3.00 -1.068120300e+00 -2.210333573e+00 -1.016341385e+00 3.02 -1.000889965e+00 -2.272613428e+00 -1.271856767e+00 3.04 -9.418513267e-01 -2.306811428e+00 -1.487829606e+00 3.06 -8.908218879e-01 -2.315896470e+00 -1.666844108e+00 3.08 -8.471637568e-01 -2.302874239e+00 -1.811519880e+00 3.10 -8.098919819e-01 -2.270749849e+00 -1.924497111e+00 3.12 -7.777991718e-01 -2.222472343e+00 -2.008419815e+00 3.14 -7.495824678e-01 -2.160884049e+00 -2.065917267e+00 3.16 -7.239570133e-01 -2.088680178e+00 -2.099583801e+00 3.18 -6.997462456e-01 -2.008372635e+00 -2.111957261e+00 3.20 -6.759524571e-01 -1.922255116e+00 -2.105496456e+00 3.22 -6.518172237e-01 -1.832370324e+00 -2.082558149e+00 3.24 -6.268644011e-01 -1.740481148e+00 -2.045374191e+00 3.26 -6.008950582e-01 -1.648048160e+00 -1.996029644e+00 3.28 -5.739188154e-01 -1.556216192e+00 -1.936442896e+00 3.30 -5.460554999e-01 -1.465813120e+00 -1.868349018e+00 3.32 -5.174619062e-01 -1.377364056e+00 -1.793287862e+00 3.34 -4.883027189e-01 -1.291123536e+00 -1.712598601e+00 3.36 -4.587450016e-01 -1.207126705e+00 -1.627422577e+00 3.38 -4.289574735e-01 -1.125257450e+00 -1.538716253e+00 3.40 -3.991099890e-01 -1.045326950e+00 -1.447275652e+00 3.42 -3.693728895e-01 -9.671511740e-01 -1.353772662e+00 3.44 -3.399162080e-01 -8.906130529e-01 -1.258801779e+00 3.46 -3.109087149e-01 -8.156978231e-01 -1.162933147e+00 3.48 -2.825167896e-01 -7.425002809e-01 -1.066764514e+00 3.50 -2.549031082e-01 -6.712147039e-01 -9.709617880e-01 3.52 -2.282251342e-01 -6.021200751e-01 -8.762772827e-01 3.54 -2.026334056e-01 -5.355619350e-01 -7.835386121e-01 3.56 -1.782696148e-01 -4.719252093e-01 -6.936104873e-01 3.58 -1.552644829e-01 -4.116004355e-01 -6.073429987e-01 3.60 -1.337354420e-01 -3.549537442e-01 -5.255249471e-01 3.62 -1.137841478e-01 -3.023073254e-01 -4.488530792e-01 3.64 -9.549386443e-02 -2.539283732e-01 -3.779145905e-01 3.66 -7.892678518e-02 -2.100213178e-01 -3.131752758e-01 3.68 -6.412138103e-02 -1.707208620e-01 -2.549696574e-01 3.70 -5.108990587e-02 -1.360856530e-01 -2.034928336e-01 3.72 -3.981623114e-02 -1.060930049e-01 -1.587946099e-01 3.74 -3.025423292e-02 -8.063523767e-02 -1.207766498e-01 3.76 -2.232700806e-02 -5.951833048e-02 -8.919352025e-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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