# 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 = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-Te--LAMMPS--ipr1 # 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 1.739727427e+04 nan nan nan nan 0.70 nan nan nan nan nan 1.466136994e+04 nan nan nan nan 0.72 nan nan nan nan nan 1.240957969e+04 nan nan 1.608747872e+04 nan 0.74 nan nan nan nan nan 1.054459202e+04 nan nan 1.366904174e+04 nan 0.76 nan nan nan nan nan 8.992296245e+03 nan nan 1.167034687e+04 nan 0.78 nan 1.756115325e+04 nan nan nan 7.696991482e+03 nan nan 1.000883435e+04 1.766209694e+04 0.80 nan 1.510456153e+04 nan nan nan 6.617546093e+03 1.559525055e+04 nan 8.618407889e+03 1.518669174e+04 0.82 nan 1.304039016e+04 nan nan nan 5.719513930e+03 1.345012609e+04 nan 7.446637994e+03 1.311583460e+04 0.84 nan 1.129631175e+04 nan nan nan 4.969160298e+03 1.164326996e+04 nan 6.451921383e+03 1.137295879e+04 0.86 nan 9.815146717e+03 1.650150393e+04 nan nan 4.334489739e+03 1.011802752e+04 1.738073138e+04 5.602421093e+03 9.896937639e+03 0.88 1.703853680e+04 8.552959193e+03 1.440183368e+04 1.702323577e+04 1.701534028e+04 3.789709795e+03 8.826085474e+03 1.515933223e+04 4.875088682e+03 8.638561339e+03 0.90 1.490260862e+04 7.474832952e+03 1.259794306e+04 1.489428545e+04 1.488837343e+04 3.317714795e+03 7.726268257e+03 1.325281206e+04 4.252652937e+03 7.557720060e+03 0.92 1.306435273e+04 6.550809575e+03 1.104182456e+04 1.306551608e+04 1.306426125e+04 2.907520124e+03 6.782883264e+03 1.161369843e+04 3.720129647e+03 6.624128017e+03 0.94 1.148050474e+04 5.755995752e+03 9.697786817e+03 1.148981212e+04 1.149369455e+04 2.551062815e+03 5.967065908e+03 1.020427702e+04 3.263763033e+03 5.816735719e+03 0.96 1.011554585e+04 5.070289039e+03 8.538617604e+03 1.012865783e+04 1.013574642e+04 2.241980020e+03 5.257921190e+03 8.992351655e+03 2.871573526e+03 5.119892687e+03 0.98 8.938285231e+03 4.477101771e+03 7.539513249e+03 8.949829302e+03 8.957110929e+03 1.974518438e+03 4.640892252e+03 7.948591960e+03 2.533730786e+03 4.518862466e+03 1.00 7.921367303e+03 3.962982604e+03 6.677035631e+03 7.926981791e+03 7.931906590e+03 1.742997298e+03 4.104329467e+03 7.046545412e+03 2.242108653e+03 3.998686748e+03 1.02 7.040596448e+03 3.516139609e+03 5.930857666e+03 7.038395811e+03 7.039593313e+03 1.542052392e+03 3.637434955e+03 6.263124364e+03 1.989635805e+03 3.545797745e+03 1.04 6.273351790e+03 3.125957579e+03 5.283709682e+03 6.264943124e+03 6.262417673e+03 1.367061474e+03 3.230286032e+03 5.578657691e+03 1.770217817e+03 3.149784297e+03 1.06 5.599994992e+03 2.783904855e+03 4.719919190e+03 5.589489129e+03 5.584329167e+03 1.214262833e+03 2.874216043e+03 4.977455038e+03 1.578636027e+03 2.803200585e+03 1.08 5.006037764e+03 2.483389737e+03 4.225066333e+03 4.997359290e+03 4.991141063e+03 1.080554303e+03 2.561859429e+03 4.447636370e+03 1.410431949e+03 2.500158600e+03 1.10 4.481179567e+03 2.218712314e+03 3.786658279e+03 4.476298008e+03 4.470552435e+03 9.631850305e+02 2.287259968e+03 3.979869720e+03 1.261938198e+03 2.235436951e+03 1.12 4.017033639e+03 1.984844841e+03 3.395466534e+03 4.016141670e+03 4.012065867e+03 8.598052594e+02 2.045854419e+03 3.566285687e+03 1.130200929e+03 2.004033561e+03 1.14 3.606280710e+03 1.777776798e+03 3.045807804e+03 3.608590344e+03 3.606941461e+03 7.686264146e+02 1.834025242e+03 3.200172760e+03 1.012865960e+03 1.801209404e+03 1.16 3.242411004e+03 1.594496654e+03 2.733961936e+03 3.246766764e+03 3.247803768e+03 6.882941663e+02 1.648382668e+03 2.875776055e+03 9.080371780e+02 1.622701496e+03 1.18 2.919669364e+03 1.432500595e+03 2.456692702e+03 2.924817050e+03 2.928221198e+03 6.176686520e+02 1.485489738e+03 2.587984694e+03 8.141580177e+02 1.464837100e+03 1.20 2.632910116e+03 1.289343562e+03 2.210800418e+03 2.637745513e+03 2.642675540e+03 5.557172858e+02 1.342037024e+03 2.332210060e+03 7.300178306e+02 1.324435983e+03 1.22 2.377565526e+03 1.162617310e+03 1.992968047e+03 2.381377861e+03 2.386723963e+03 5.014188217e+02 1.215036983e+03 2.104521095e+03 6.546960145e+02 1.198773574e+03 1.24 2.149717085e+03 1.050152808e+03 1.799802585e+03 2.152260435e+03 2.156996949e+03 4.537326845e+02 1.101901531e+03 1.901674127e+03 5.874162366e+02 1.085606402e+03 1.26 1.946049107e+03 9.501667827e+02 1.628103897e+03 1.947467378e+03 1.950912640e+03 4.116560157e+02 1.000454767e+03 1.720965878e+03 5.274504516e+02 9.831108094e+02 1.28 1.763893608e+03 8.612032814e+02 1.475144594e+03 1.764469443e+03 1.766315372e+03 3.742945335e+02 9.089007083e+02 1.560108179e+03 4.741065135e+02 8.899002200e+02 1.30 1.601192069e+03 7.819489300e+02 1.338733923e+03 1.601069043e+03 1.601278611e+03 3.408915021e+02 8.257936489e+02 1.417074678e+03 4.267454351e+02 8.050243131e+02 1.32 1.456154645e+03 7.111219104e+02 1.217029838e+03 1.455293502e+03 1.454018552e+03 3.108102084e+02 7.500417610e+02 1.289883292e+03 3.847765575e+02 7.278006504e+02 1.34 1.326959241e+03 6.474853391e+02 1.108392733e+03 1.325290694e+03 1.322825072e+03 2.835359421e+02 6.808697099e+02 1.176498319e+03 3.476353268e+02 6.576682013e+02 1.36 1.211710449e+03 5.899277149e+02 1.011399177e+03 1.209272197e+03 1.206003292e+03 2.587046731e+02 6.177294881e+02 1.074912445e+03 3.147660317e+02 5.941666397e+02 1.38 1.108494378e+03 5.375337492e+02 9.248055633e+02 1.105470899e+03 1.101828532e+03 2.360837383e+02 5.601887985e+02 9.832913028e+02 2.856218523e+02 5.369155011e+02 1.40 1.015460811e+03 4.896147148e+02 8.474111558e+02 1.012173596e+03 1.008587252e+03 2.154971132e+02 5.078516424e+02 9.001062766e+02 2.596910891e+02 4.855517177e+02 1.42 9.309621227e+02 4.457077725e+02 7.779727283e+02 9.278305537e+02 9.246888669e+02 1.967689764e+02 4.603342277e+02 8.242059419e+02 2.365315474e+02 4.396815316e+02 1.44 8.537168292e+02 4.055288170e+02 7.152407644e+02 8.511686437e+02 8.487742469e+02 1.797138319e+02 4.172626001e+02 7.547882496e+02 2.157870596e+02 3.988702778e+02 1.46 7.828794769e+02 3.688800817e+02 6.580555246e+02 7.812311950e+02 7.797644811e+02 1.641436192e+02 3.782757225e+02 6.912909681e+02 1.971737028e+02 3.626473090e+02 1.48 7.179308600e+02 3.355734218e+02 6.054533451e+02 7.173139574e+02 7.168271313e+02 1.498794823e+02 3.430394953e+02 6.332611618e+02 1.804496082e+02 3.305173045e+02 1.50 6.584752967e+02 3.054019222e+02 5.567350192e+02 6.588519876e+02 6.592938125e+02 1.367654432e+02 3.112613291e+02 5.802743066e+02 1.653932581e+02 3.019790487e+02 1.52 6.041281818e+02 2.781369917e+02 5.114553614e+02 6.053501289e+02 6.065943456e+02 1.246784603e+02 2.826898690e+02 5.319210219e+02 1.517952914e+02 2.765519706e+02 1.54 5.545066544e+02 2.535307107e+02 4.693487091e+02 5.563638132e+02 5.582256610e+02 1.135276788e+02 2.570972567e+02 4.878149758e+02 1.394589033e+02 2.538063991e+02 1.56 5.092406937e+02 2.313210495e+02 4.302416225e+02 5.114915880e+02 5.137429747e+02 1.032418527e+02 2.342567679e+02 4.475906910e+02 1.282078537e+02 2.333862372e+02 1.58 4.679747292e+02 2.112406434e+02 3.939872465e+02 4.703677806e+02 4.727608467e+02 9.375620539e+01 2.139311187e+02 4.108938296e+02 1.178944700e+02 2.150082881e+02 1.60 4.303570850e+02 1.930292763e+02 3.604413978e+02 4.326554382e+02 4.349537913e+02 8.500904095e+01 1.958731953e+02 3.773803635e+02 1.084004815e+02 1.984339147e+02 1.62 3.960296553e+02 1.764487504e+02 3.294648467e+02 3.980398315e+02 4.000500077e+02 7.694436096e+01 1.798320807e+02 3.467270810e+02 9.963129540e+01 1.834363916e+02 1.64 3.646326954e+02 1.612966096e+02 3.009294500e+02 3.662251314e+02 3.678175675e+02 6.951482105e+01 1.655607726e+02 3.186410809e+02 9.150966137e+01 1.697915844e+02 1.66 3.358233616e+02 1.474138090e+02 2.747211017e+02 3.369365666e+02 3.380497717e+02 6.268283021e+01 1.528238155e+02 2.928627386e+02 8.397178638e+01 1.572882283e+02 1.68 3.092990980e+02 1.346832930e+02 2.507365489e+02 3.099302418e+02 3.105613856e+02 5.641858361e+01 1.414025695e+02 2.691669905e+02 7.696458468e+01 1.457436377e+02 1.70 2.848174900e+02 1.230207938e+02 2.288749338e+02 2.850060288e+02 2.851945677e+02 5.069579063e+01 1.310972299e+02 2.473671318e+02 7.044409222e+01 1.350174204e+02 1.72 2.622021859e+02 1.123619237e+02 2.090298599e+02 2.620117115e+02 2.618212371e+02 4.548805305e+01 1.217284210e+02 2.273140995e+02 6.437557197e+01 1.250158509e+02 1.74 2.413279454e+02 1.026507868e+02 1.910862316e+02 2.408315555e+02 2.403351655e+02 4.076758783e+01 1.131414838e+02 2.088847363e+02 5.873292126e+01 1.156818630e+02 1.76 2.220924577e+02 9.383281957e+01 1.749200805e+02 2.213649990e+02 2.206375404e+02 3.650511091e+01 1.052104683e+02 1.919657748e+02 5.349592533e+01 1.069758679e+02 1.78 2.043950628e+02 8.585127756e+01 1.603991797e+02 2.035106129e+02 2.026261629e+02 3.266989841e+01 9.783738723e+01 1.764454031e+02 4.864657721e+01 9.886129513e+01 1.80 1.881311223e+02 7.864663502e+01 1.473841572e+02 1.871618813e+02 1.861926404e+02 2.922993693e+01 9.094798834e+01 1.622140953e+02 4.416663834e+01 9.130054071e+01 1.82 1.731938860e+02 7.215727641e+01 1.357302450e+02 1.722086878e+02 1.712234895e+02 2.615218560e+01 8.448776716e+01 1.491687751e+02 4.003700112e+01 8.425546643e+01 1.84 1.594780882e+02 6.632059010e+01 1.252898184e+02 1.585402018e+02 1.576023154e+02 2.340296896e+01 7.841837915e+01 1.372167756e+02 3.623774599e+01 7.768868018e+01 1.86 1.468843006e+02 6.107432198e+01 1.159158149e+02 1.460484861e+02 1.452126715e+02 2.094852103e+01 7.271232828e+01 1.262778997e+02 3.274833943e+01 7.156511533e+01 1.88 1.353233033e+02 5.635800171e+01 1.074659284e+02 1.346323266e+02 1.339413498e+02 1.875569713e+01 6.734694915e+01 1.162834125e+02 2.954795179e+01 6.585362557e+01 1.90 1.247191380e+02 5.211408454e+01 9.980714112e+01 1.242003515e+02 1.236815649e+02 1.679285454e+01 6.230102944e+01 1.071723729e+02 2.661589421e+01 6.052808259e+01 1.92 1.150092200e+02 4.828837984e+01 9.281984630e+01 1.146722545e+02 1.143352891e+02 1.503086591e+01 5.755452742e+01 9.888752650e+01 2.393213947e+01 5.556737059e+01 1.94 1.061406957e+02 4.482961512e+01 8.640090862e+01 1.059774660e+02 1.058142363e+02 1.344415858e+01 5.308934985e+01 9.137243010e+01 2.147784553e+01 5.095400103e+01 1.96 9.806449729e+01 4.168872227e+01 8.046573138e+01 9.805215509e+01 9.803981289e+01 1.201156889e+01 4.889006459e+01 8.456947470e+01 1.923575029e+01 4.667193202e+01 1.98 9.073048095e+01 3.881898468e+01 7.494980513e+01 9.083670499e+01 9.094292902e+01 1.071669704e+01 4.494418976e+01 7.841868450e+01 1.719029082e+01 4.270485503e+01 2.00 8.408554533e+01 3.617747773e+01 6.980884244e+01 8.427456342e+01 8.446358151e+01 9.547449111e+00 4.124181922e+01 7.285766748e+01 1.532737985e+01 3.903558801e+01 2.02 7.807352189e+01 3.372696005e+01 6.501532934e+01 7.831121524e+01 7.854890858e+01 8.494711460e+00 3.777463679e+01 6.782240155e+01 1.363397048e+01 3.564607954e+01 2.04 7.263551376e+01 3.143718273e+01 6.055161407e+01 7.289256596e+01 7.314961816e+01 7.550647044e+00 3.453480922e+01 6.324851337e+01 1.209770676e+01 3.251755923e+01 2.06 6.771050341e+01 2.928498295e+01 5.640311126e+01 6.796361932e+01 6.821673523e+01 6.707488273e+00 3.151432270e+01 5.907301509e+01 1.070683551e+01 2.963078266e+01 2.08 6.323633284e+01 2.725310622e+01 5.255485447e+01 6.346840723e+01 6.370048161e+01 5.957226009e+00 2.870479776e+01 5.523644124e+01 9.450272483e+00 2.696639015e+01 2.10 5.915116271e+01 2.532854975e+01 4.899076487e+01 5.935109213e+01 5.955102156e+01 5.291716422e+00 2.609746336e+01 5.168515695e+01 8.317683938e+00 2.450538541e+01 2.12 5.539547344e+01 2.350144216e+01 4.569359841e+01 5.555773436e+01 5.571999529e+01 4.702766439e+00 2.368315377e+01 4.837341609e+01 7.299498958e+00 2.222971998e+01 2.14 5.191455270e+01 2.176448288e+01 4.264495315e+01 5.203849175e+01 5.216243080e+01 4.182192735e+00 2.145232855e+01 4.526466310e+01 6.386776435e+00 2.012293455e+01 2.16 4.866119441e+01 2.011231536e+01 3.982534613e+01 4.875000284e+01 4.883881127e+01 3.721894026e+00 1.939512210e+01 4.233174907e+01 5.570955470e+00 1.817075989e+01 2.18 4.559803809e+01 1.854083395e+01 3.721438989e+01 4.565745480e+01 4.571687151e+01 3.313944698e+00 1.750142730e+01 3.955611521e+01 4.843629467e+00 1.636152753e+01 2.20 4.269872834e+01 1.704676933e+01 3.479109694e+01 4.273562210e+01 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