# 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 = Cd # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan 1.054459246e+04 nan nan nan nan 0.76 nan nan nan nan nan 8.992296617e+03 nan nan nan nan 0.78 nan nan nan nan nan 7.696991804e+03 nan nan 1.000883478e+04 nan 0.80 nan nan nan nan nan 6.617546366e+03 nan nan 8.618408254e+03 nan 0.82 nan nan nan nan nan 5.719514164e+03 nan nan 7.446638308e+03 nan 0.84 nan nan nan nan nan 4.969160500e+03 nan nan 6.451921654e+03 nan 0.86 nan 9.815147143e+03 nan nan nan 4.334489913e+03 1.011802796e+04 nan 5.602421327e+03 9.896938064e+03 0.88 nan 8.552959559e+03 nan nan nan 3.789709946e+03 8.826085853e+03 nan 4.875088884e+03 8.638561708e+03 0.90 nan 7.474833272e+03 nan nan nan 3.317714927e+03 7.726268587e+03 nan 4.252653112e+03 7.557720382e+03 0.92 nan 6.550809854e+03 nan nan nan 2.907520239e+03 6.782883552e+03 nan 3.720129799e+03 6.624128297e+03 0.94 nan 5.755995998e+03 9.697787237e+03 nan nan 2.551062915e+03 5.967066161e+03 1.020427746e+04 3.263763166e+03 5.816735965e+03 0.96 1.011554628e+04 5.070289254e+03 8.538617972e+03 1.012865827e+04 1.013574686e+04 2.241980107e+03 5.257921411e+03 8.992352043e+03 2.871573643e+03 5.119892901e+03 0.98 8.938285616e+03 4.477101961e+03 7.539513573e+03 8.949829689e+03 8.957111316e+03 1.974518515e+03 4.640892447e+03 7.948592301e+03 2.533730889e+03 4.518862655e+03 1.00 7.921367644e+03 3.962982771e+03 6.677035916e+03 7.926982132e+03 7.931906930e+03 1.742997365e+03 4.104329639e+03 7.046545713e+03 2.242108743e+03 3.998686914e+03 1.02 7.040596751e+03 3.516139756e+03 5.930857919e+03 7.038396112e+03 7.039593615e+03 1.542052451e+03 3.637435107e+03 6.263124631e+03 1.989635884e+03 3.545797891e+03 1.04 6.273352058e+03 3.125957709e+03 5.283709906e+03 6.264943392e+03 6.262417941e+03 1.367061526e+03 3.230286166e+03 5.578657928e+03 1.770217887e+03 3.149784426e+03 1.06 5.599995230e+03 2.783904971e+03 4.719919390e+03 5.589489367e+03 5.584329405e+03 1.214262879e+03 2.874216162e+03 4.977455249e+03 1.578636089e+03 2.803200700e+03 1.08 5.006037977e+03 2.483389840e+03 4.225066512e+03 4.997359502e+03 4.991141275e+03 1.080554343e+03 2.561859534e+03 4.447636557e+03 1.410432004e+03 2.500158702e+03 1.10 4.481179757e+03 2.218712406e+03 3.786658439e+03 4.476298197e+03 4.470552623e+03 9.631850664e+02 2.287260062e+03 3.979869887e+03 1.261938248e+03 2.235437042e+03 1.12 4.017033808e+03 1.984844923e+03 3.395466676e+03 4.016141839e+03 4.012066036e+03 8.598052911e+02 2.045854502e+03 3.566285837e+03 1.130200974e+03 2.004033642e+03 1.14 3.606280861e+03 1.777776871e+03 3.045807932e+03 3.608590496e+03 3.606941612e+03 7.686264427e+02 1.834025317e+03 3.200172894e+03 1.012866000e+03 1.801209477e+03 1.16 3.242411140e+03 1.594496719e+03 2.733962050e+03 3.246766900e+03 3.247803904e+03 6.882941915e+02 1.648382734e+03 2.875776175e+03 9.080372134e+02 1.622701562e+03 1.18 2.919669486e+03 1.432500654e+03 2.456692805e+03 2.924817172e+03 2.928221321e+03 6.176686745e+02 1.485489798e+03 2.587984802e+03 8.141580493e+02 1.464837159e+03 1.20 2.632910226e+03 1.289343614e+03 2.210800509e+03 2.637745623e+03 2.642675650e+03 5.557173058e+02 1.342037078e+03 2.332210157e+03 7.300178588e+02 1.324436036e+03 1.22 2.377565625e+03 1.162617357e+03 1.992968129e+03 2.381377960e+03 2.386724062e+03 5.014188396e+02 1.215037031e+03 2.104521182e+03 6.546960397e+02 1.198773622e+03 1.24 2.149717174e+03 1.050152850e+03 1.799802659e+03 2.152260524e+03 2.156997038e+03 4.537327007e+02 1.101901575e+03 1.901674205e+03 5.874162591e+02 1.085606445e+03 1.26 1.946049187e+03 9.501668209e+02 1.628103963e+03 1.947467458e+03 1.950912720e+03 4.116560303e+02 1.000454807e+03 1.720965949e+03 5.274504716e+02 9.831108485e+02 1.28 1.763893680e+03 8.612033159e+02 1.475144654e+03 1.764469515e+03 1.766315444e+03 3.742945467e+02 9.089007446e+02 1.560108243e+03 4.741065314e+02 8.899002552e+02 1.30 1.601192135e+03 7.819489612e+02 1.338733978e+03 1.601069108e+03 1.601278677e+03 3.408915141e+02 8.257936817e+02 1.417074735e+03 4.267454511e+02 8.050243448e+02 1.32 1.456154705e+03 7.111219388e+02 1.217029887e+03 1.455293562e+03 1.454018611e+03 3.108102193e+02 7.500417907e+02 1.289883344e+03 3.847765718e+02 7.278006790e+02 1.34 1.326959295e+03 6.474853648e+02 1.108392778e+03 1.325290748e+03 1.322825126e+03 2.835359521e+02 6.808697369e+02 1.176498367e+03 3.476353398e+02 6.576682270e+02 1.36 1.211710498e+03 5.899277384e+02 1.011399218e+03 1.209272246e+03 1.206003341e+03 2.587046822e+02 6.177295125e+02 1.074912488e+03 3.147660433e+02 5.941666628e+02 1.38 1.108494422e+03 5.375337705e+02 9.248056005e+02 1.105470944e+03 1.101828576e+03 2.360837466e+02 5.601888205e+02 9.832913424e+02 2.856218628e+02 5.369155218e+02 1.40 1.015460852e+03 4.896147342e+02 8.474111898e+02 1.012173637e+03 1.008587292e+03 2.154971208e+02 5.078516623e+02 9.001063129e+02 2.596910987e+02 4.855517364e+02 1.42 9.309621602e+02 4.457077901e+02 7.779727595e+02 9.278305911e+02 9.246889041e+02 1.967689833e+02 4.603342457e+02 8.242059751e+02 2.365315561e+02 4.396815484e+02 1.44 8.537168636e+02 4.055288330e+02 7.152407931e+02 8.511686780e+02 8.487742810e+02 1.797138382e+02 4.172626163e+02 7.547882799e+02 2.157870675e+02 3.988702929e+02 1.46 7.828795084e+02 3.688800962e+02 6.580555510e+02 7.812312264e+02 7.797645124e+02 1.641436249e+02 3.782757371e+02 6.912909958e+02 1.971737100e+02 3.626473227e+02 1.48 7.179308888e+02 3.355734350e+02 6.054533694e+02 7.173139861e+02 7.168271600e+02 1.498794875e+02 3.430395085e+02 6.332611871e+02 1.804496148e+02 3.305173170e+02 1.50 6.584753231e+02 3.054019342e+02 5.567350415e+02 6.588520140e+02 6.592938389e+02 1.367654479e+02 3.112613410e+02 5.802743297e+02 1.653932641e+02 3.019790601e+02 1.52 6.041282059e+02 2.781370026e+02 5.114553819e+02 6.053501531e+02 6.065943699e+02 1.246784647e+02 2.826898797e+02 5.319210431e+02 1.517952970e+02 2.765519810e+02 1.54 5.545066765e+02 2.535307205e+02 4.693487278e+02 5.563638353e+02 5.582256833e+02 1.135276827e+02 2.570972664e+02 4.878149951e+02 1.394589084e+02 2.538064086e+02 1.56 5.092407139e+02 2.313210584e+02 4.302416397e+02 5.114916084e+02 5.137429952e+02 1.032418562e+02 2.342567768e+02 4.475907087e+02 1.282078584e+02 2.333862459e+02 1.58 4.679747478e+02 2.112406516e+02 3.939872621e+02 4.703677993e+02 4.727608656e+02 9.375620859e+01 2.139311267e+02 4.108938459e+02 1.178944743e+02 2.150082961e+02 1.60 4.303571021e+02 1.930292838e+02 3.604414121e+02 4.326554553e+02 4.349538086e+02 8.500904383e+01 1.958732027e+02 3.773803784e+02 1.084004855e+02 1.984339221e+02 1.62 3.960296710e+02 1.764487572e+02 3.294648597e+02 3.980398472e+02 4.000500235e+02 7.694436355e+01 1.798320874e+02 3.467270946e+02 9.963129909e+01 1.834363985e+02 1.64 3.646327098e+02 1.612966158e+02 3.009294618e+02 3.662251459e+02 3.678175820e+02 6.951482337e+01 1.655607788e+02 3.186410934e+02 9.150966477e+01 1.697915908e+02 1.66 3.358233748e+02 1.474138147e+02 2.747211124e+02 3.369365799e+02 3.380497850e+02 6.268283227e+01 1.528238212e+02 2.928627501e+02 8.397178950e+01 1.572882342e+02 1.68 3.092991101e+02 1.346832982e+02 2.507365587e+02 3.099302540e+02 3.105613978e+02 5.641858545e+01 1.414025748e+02 2.691670010e+02 7.696458756e+01 1.457436432e+02 1.70 2.848175012e+02 1.230207985e+02 2.288749427e+02 2.850060400e+02 2.851945789e+02 5.069579226e+01 1.310972348e+02 2.473671415e+02 7.044409486e+01 1.350174255e+02 1.72 2.622021962e+02 1.123619280e+02 2.090298679e+02 2.620117218e+02 2.618212474e+02 4.548805449e+01 1.217284256e+02 2.273141084e+02 6.437557439e+01 1.250158556e+02 1.74 2.413279549e+02 1.026507907e+02 1.910862390e+02 2.408315649e+02 2.403351749e+02 4.076758909e+01 1.131414881e+02 2.088847444e+02 5.873292347e+01 1.156818675e+02 1.76 2.220924663e+02 9.383282316e+01 1.749200872e+02 2.213650076e+02 2.206375490e+02 3.650511202e+01 1.052104723e+02 1.919657823e+02 5.349592734e+01 1.069758720e+02 1.78 2.043950708e+02 8.585128083e+01 1.603991858e+02 2.035106208e+02 2.026261708e+02 3.266989938e+01 9.783739099e+01 1.764454099e+02 4.864657904e+01 9.886129891e+01 1.80 1.881311296e+02 7.864663802e+01 1.473841628e+02 1.871618886e+02 1.861926476e+02 2.922993777e+01 9.094799184e+01 1.622141015e+02 4.416664001e+01 9.130054422e+01 1.82 1.731938927e+02 7.215727917e+01 1.357302501e+02 1.722086944e+02 1.712234961e+02 2.615218633e+01 8.448777044e+01 1.491687809e+02 4.003700263e+01 8.425546968e+01 1.84 1.594780944e+02 6.632059264e+01 1.252898231e+02 1.585402080e+02 1.576023215e+02 2.340296959e+01 7.841838221e+01 1.372167809e+02 3.623774736e+01 7.768868319e+01 1.86 1.468843063e+02 6.107432433e+01 1.159158193e+02 1.460484917e+02 1.452126770e+02 2.094852158e+01 7.271233114e+01 1.262779046e+02 3.274834067e+01 7.156511811e+01 1.88 1.353233086e+02 5.635800389e+01 1.074659324e+02 1.346323318e+02 1.339413550e+02 1.875569761e+01 6.734695181e+01 1.162834170e+02 2.954795291e+01 6.585362813e+01 1.90 1.247191428e+02 5.211408656e+01 9.980714492e+01 1.242003562e+02 1.236815697e+02 1.679285495e+01 6.230103192e+01 1.071723770e+02 2.661589521e+01 6.052808495e+01 1.92 1.150092244e+02 4.828838173e+01 9.281984984e+01 1.146722589e+02 1.143352935e+02 1.503086626e+01 5.755452972e+01 9.888753029e+01 2.393214037e+01 5.556737277e+01 1.94 1.061406998e+02 4.482961690e+01 8.640091193e+01 1.059774700e+02 1.058142403e+02 1.344415888e+01 5.308935199e+01 9.137243360e+01 2.147784634e+01 5.095400304e+01 1.96 9.806450105e+01 4.168872394e+01 8.046573447e+01 9.805215885e+01 9.803981664e+01 1.201156914e+01 4.889006657e+01 8.456947794e+01 1.923575102e+01 4.667193386e+01 1.98 9.073048443e+01 3.881898625e+01 7.494980803e+01 9.083670846e+01 9.094293250e+01 1.071669725e+01 4.494419160e+01 7.841868751e+01 1.719029147e+01 4.270485672e+01 2.00 8.408554855e+01 3.617747921e+01 6.980884515e+01 8.427456665e+01 8.446358475e+01 9.547449290e+00 4.124182092e+01 7.285767029e+01 1.532738043e+01 3.903558956e+01 2.02 7.807352489e+01 3.372696145e+01 6.501533188e+01 7.831121825e+01 7.854891160e+01 8.494711608e+00 3.777463836e+01 6.782240417e+01 1.363397100e+01 3.564608096e+01 2.04 7.263551655e+01 3.143718406e+01 6.055161645e+01 7.289256877e+01 7.314962098e+01 7.550647163e+00 3.453481066e+01 6.324851583e+01 1.209770722e+01 3.251756053e+01 2.06 6.771050602e+01 2.928498421e+01 5.640311349e+01 6.796362195e+01 6.821673788e+01 6.707488368e+00 3.151432402e+01 5.907301740e+01 1.070683592e+01 2.963078385e+01 2.08 6.323633530e+01 2.725310740e+01 5.255485657e+01 6.346840970e+01 6.370048410e+01 5.957226083e+00 2.870479898e+01 5.523644342e+01 9.450272842e+00 2.696639123e+01 2.10 5.915116502e+01 2.532855087e+01 4.899076684e+01 5.935109445e+01 5.955102389e+01 5.291716479e+00 2.609746447e+01 5.168515901e+01 8.317684255e+00 2.450538640e+01 2.12 5.539547562e+01 2.350144322e+01 4.569360026e+01 5.555773656e+01 5.571999749e+01 4.702766482e+00 2.368315479e+01 4.837341803e+01 7.299499237e+00 2.222972088e+01 2.14 5.191455476e+01 2.176448388e+01 4.264495490e+01 5.203849382e+01 5.216243288e+01 4.182192766e+00 2.145232948e+01 4.526466494e+01 6.386776680e+00 2.012293538e+01 2.16 4.866119636e+01 2.011231630e+01 3.982534777e+01 4.875000480e+01 4.883881324e+01 3.721894048e+00 1.939512295e+01 4.233175080e+01 5.570955686e+00 1.817076064e+01 2.18 4.559803993e+01 1.854083484e+01 3.721439145e+01 4.565745665e+01 4.571687336e+01 3.313944712e+00 1.750142808e+01 3.955611685e+01 4.843629656e+00 1.636152821e+01 2.20 4.269873009e+01 1.704677016e+01 3.479109841e+01 4.273562385e+01 4.277251761e+01 2.950715408e+00 1.576101698e+01 3.692618135e+01 4.196486414e+00 1.468621857e+01 2.22 3.994714647e+01 1.562751934e+01 3.253433862e+01 3.996822807e+01 3.998930966e+01 2.625025299e+00 1.416369824e+01 3.443505213e+01 3.621414547e+00 1.313803536e+01 2.24 3.733464069e+01 1.428096680e+01 3.042346229e+01 3.734556940e+01 3.735649812e+01 2.330326155e+00 1.269950361e+01 3.207803066e+01 3.110665705e+00 1.171158302e+01 2.26 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