# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = Cd3Te # 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 2.00 1.550699072e+01 3.023222382e+01 3.757432819e+01 2.02 1.418800985e+01 2.807498090e+01 3.505436569e+01 2.04 1.295913493e+01 2.605066067e+01 3.268575080e+01 2.06 1.181452183e+01 2.415115170e+01 3.045936201e+01 2.08 1.074890573e+01 2.236893119e+01 2.836676354e+01 2.10 9.757468751e+00 2.069702228e+01 2.640015739e+01 2.12 8.835681387e+00 1.912892646e+01 2.455218394e+01 2.14 7.979260896e+00 1.765859814e+01 2.281593951e+01 2.16 7.183694686e+00 1.628004743e+01 2.118402239e+01 2.18 6.445072601e+00 1.498799614e+01 1.965017684e+01 2.20 5.759417540e+00 1.377723777e+01 1.820800577e+01 2.22 5.123329893e+00 1.264304770e+01 1.685214337e+01 2.24 4.533567182e+00 1.158117244e+01 1.557746192e+01 2.26 3.987457587e+00 1.058698571e+01 1.437991250e+01 2.28 3.482197682e+00 9.657038928e+00 1.325508868e+01 2.30 3.015288848e+00 8.787531700e+00 1.219888237e+01 2.32 2.584062916e+00 7.975001232e+00 1.120743132e+01 2.34 2.186591709e+00 7.216214652e+00 1.027710345e+01 2.36 1.820747740e+00 6.508007768e+00 9.404481799e+00 2.38 1.484582807e+00 5.847442223e+00 8.586351297e+00 2.40 1.176269697e+00 5.231713471e+00 7.819685949e+00 2.42 8.940859058e-01 4.658135867e+00 7.101635910e+00 2.44 6.363919697e-01 4.124250762e+00 6.429512888e+00 2.46 4.016052009e-01 3.627644087e+00 5.800774168e+00 2.48 1.881755370e-01 3.166162107e+00 5.213138405e+00 2.50 -5.423585169e-03 2.737826670e+00 4.663969518e+00 2.52 -1.806747417e-01 2.340757523e+00 4.151516746e+00 2.54 -3.389655476e-01 1.973157812e+00 3.673697899e+00 2.56 -4.814351738e-01 1.633299683e+00 3.228668459e+00 2.58 -6.095255628e-01 1.319512830e+00 2.814677536e+00 2.60 -7.238113711e-01 1.030178397e+00 2.430040347e+00 2.62 -8.253899042e-01 7.639327257e-01 2.073118471e+00 2.64 -9.151560196e-01 5.187072232e-01 1.742308920e+00 2.66 -9.939535801e-01 2.935219781e-01 1.436050312e+00 2.68 -1.062578025e+00 8.697990301e-02 1.152835656e+00 2.70 -1.121778778e+00 -1.021612102e-01 8.913221186e-01 2.72 -1.172261566e+00 -2.749263707e-01 6.500865233e-01 2.74 -1.214690569e+00 -4.324842202e-01 4.279437778e-01 2.76 -1.249690550e+00 -5.753882239e-01 2.238005323e-01 2.78 -1.277848751e+00 -7.045766520e-01 3.661996384e-02 2.80 -1.299716808e+00 -8.209167084e-01 -1.345819894e-01 2.82 -1.315812499e+00 -9.252310588e-01 -2.907402942e-01 2.84 -1.326621415e+00 -1.018299988e+00 -4.327454980e-01 2.86 -1.332598555e+00 -1.100863084e+00 -5.614484223e-01 2.88 -1.334169804e+00 -1.173621335e+00 -6.776661154e-01 2.90 -1.331733375e+00 -1.237238718e+00 -7.821872550e-01 2.92 -1.325661121e+00 -1.292343928e+00 -8.757767530e-01 2.94 -1.316299816e+00 -1.339531957e+00 -9.591778340e-01 2.96 -1.303972332e+00 -1.379365614e+00 -1.033109976e+00 2.98 -1.288978752e+00 -1.412376982e+00 -1.098262097e+00 3.00 -1.271597440e+00 -1.439068799e+00 -1.155282082e+00 3.02 -1.252086030e+00 -1.459915758e+00 -1.204766412e+00 3.04 -1.230682408e+00 -1.475365798e+00 -1.247203513e+00 3.06 -1.207605625e+00 -1.485841282e+00 -1.283233803e+00 3.08 -1.183056840e+00 -1.491740142e+00 -1.313214032e+00 3.10 -1.157220314e+00 -1.493436980e+00 -1.337542594e+00 3.12 -1.130264441e+00 -1.491284093e+00 -1.356651938e+00 3.14 -1.102342985e+00 -1.485612456e+00 -1.370903173e+00 3.16 -1.073596552e+00 -1.476732670e+00 -1.380772630e+00 3.18 -1.044154428e+00 -1.464935834e+00 -1.386433570e+00 3.20 -1.014136931e+00 -1.450494409e+00 -1.388236442e+00 3.22 -9.836584134e-01 -1.433663011e+00 -1.386497681e+00 3.24 -9.528310096e-01 -1.414679174e+00 -1.381515981e+00 3.26 -9.217690826e-01 -1.393764081e+00 -1.373573052e+00 3.28 -8.905941082e-01 -1.371123293e+00 -1.362934350e+00 3.30 -8.594391423e-01 -1.346947418e+00 -1.349849753e+00 3.32 -8.284515453e-01 -1.321412850e+00 -1.334554277e+00 3.34 -7.977916716e-01 -1.294682462e+00 -1.317268666e+00 3.36 -7.676250288e-01 -1.266906403e+00 -1.298200025e+00 3.38 -7.381060938e-01 -1.238222985e+00 -1.277542431e+00 3.40 -7.093548363e-01 -1.208759700e+00 -1.255477472e+00 3.42 -6.814320224e-01 -1.178634437e+00 -1.232174786e+00 3.44 -6.543243539e-01 -1.147956970e+00 -1.207792582e+00 3.46 -6.279508845e-01 -1.116830763e+00 -1.182478134e+00 3.48 -6.021931697e-01 -1.085355062e+00 -1.156368217e+00 3.50 -5.767926310e-01 -1.053627284e+00 -1.129589573e+00 3.52 -5.520600342e-01 -1.021745454e+00 -1.102259310e+00 3.54 -5.276392304e-01 -9.898103273e-01 -1.074485293e+00 3.56 -5.035416001e-01 -9.579265960e-01 -1.046366504e+00 3.58 -4.797871319e-01 -9.262024452e-01 -1.017993385e+00 3.60 -4.563690710e-01 -8.947467018e-01 -9.894481349e-01 3.62 -4.332780112e-01 -8.636633797e-01 -9.608050152e-01 3.64 -4.105025902e-01 -8.330441340e-01 -9.321305943e-01 3.66 -3.880303492e-01 -8.029603752e-01 -9.034839909e-01 3.68 -3.658487385e-01 -7.734573198e-01 -8.749170786e-01 3.70 -3.439463484e-01 -7.445520455e-01 -8.464746680e-01 3.72 -3.223143630e-01 -7.161855979e-01 -8.181946856e-01 3.74 -3.009482539e-01 -6.884742605e-01 -7.901083043e-01 3.76 -2.798497209e-01 -6.613013165e-01 -7.622401100e-01 3.78 -2.590288435e-01 -6.346391860e-01 -7.346082153e-01 3.80 -2.385063853e-01 -6.084541371e-01 -7.072244399e-01 3.82 -2.183161163e-01 -5.827759712e-01 -6.800944986e-01 3.84 -1.985069794e-01 -5.576292233e-01 -6.532182655e-01 3.86 -1.791448322e-01 -5.330304386e-01 -6.265901619e-01 3.88 -1.603134809e-01 -5.089853703e-01 -6.001996806e-01 3.90 -1.421147450e-01 -4.854867725e-01 -5.740321834e-01 3.92 -1.246674965e-01 -4.625134147e-01 -5.480700148e-01 3.94 -1.081060260e-01 -4.400308626e-01 -5.222940685e-01 3.96 -9.257857741e-02 -4.179943153e-01 -4.966859829e-01 3.98 -7.824683413e-02 -3.963413013e-01 -4.712310548e-01 4.00 -6.528480982e-02 -3.750563740e-01 -4.459220868e-01 4.02 -5.386895680e-02 -3.540688804e-01 -4.207642833e-01 4.04 -4.414271606e-02 -3.333983576e-01 -3.957811023e-01 4.06 -3.614494710e-02 -3.129947974e-01 -3.710208769e-01 4.08 -2.973435024e-02 -2.928785200e-01 -3.465633396e-01 4.10 -2.458804346e-02 -2.731225272e-01 -3.225245414e-01 4.12 -2.002764802e-02 -2.538264273e-01 -2.990575248e-01 4.14 -1.652134057e-02 -2.351122982e-01 -2.763450562e-01 4.16 -1.315131139e-02 -2.171123737e-01 -2.545806014e-01 4.18 -9.983807813e-03 -1.999469007e-01 -2.339359762e-01 4.20 -7.103848024e-03 -1.836947771e-01 -2.145203440e-01 4.22 -4.595273397e-03 -1.683665341e-01 -1.963443278e-01 4.24 -2.568908992e-03 -1.538944811e-01 -1.793088365e-01 4.26 -1.150869337e-03 -1.401510309e-01 -1.632319081e-01 4.28 -3.319036293e-05 -1.267768082e-01 -1.475303365e-01 4.30 -8.400120887e-07 -1.142343096e-01 -1.330420941e-01 4.32 1.984122181e-06 -1.020042542e-01 -1.188900344e-01 4.34 0.000000000e+00 -9.014373731e-02 -1.051469195e-01 4.36 0.000000000e+00 -7.872439914e-02 -9.190219335e-02 4.38 0.000000000e+00 -6.782795890e-02 -7.925668391e-02 4.40 0.000000000e+00 -5.753365778e-02 -6.730606938e-02 4.42 0.000000000e+00 -4.792172657e-02 -5.614775172e-02 4.44 0.000000000e+00 -3.906796389e-02 -4.587468571e-02 4.46 0.000000000e+00 -3.103709028e-02 -3.656765746e-02 4.48 0.000000000e+00 -2.387566844e-02 -2.828647054e-02 4.50 0.000000000e+00 -1.760702394e-02 -2.106143735e-02 4.52 0.000000000e+00 -1.223489215e-02 -1.488929433e-02 4.54 0.000000000e+00 -7.769983350e-03 -9.745211306e-03 4.56 0.000000000e+00 -4.284730813e-03 -5.633366570e-03 4.58 0.000000000e+00 -1.909920449e-03 -2.657739778e-03 4.60 0.000000000e+00 3.632909281e-05 5.450957593e-05 4.62 0.000000000e+00 1.580150648e-05 2.370302802e-05 4.64 0.000000000e+00 3.625516035e-06 5.438276705e-06 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 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 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0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00