# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Wang-Z-Q-Stroud-D-Markworth-A-J--Cd-Te # implementation = 1989--Wang-Z-Q--Cd-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 nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 2.431372009e+04 nan nan nan nan 0.74 nan nan nan nan nan 2.063487494e+04 nan nan nan nan 0.76 nan nan nan nan nan 1.757570333e+04 nan nan 2.321583144e+04 nan 0.78 nan nan nan nan nan 1.502512926e+04 nan nan 1.982805248e+04 nan 0.80 nan nan nan nan nan 1.289020421e+04 nan nan 1.699317705e+04 nan 0.82 nan nan nan nan nan 1.109296699e+04 nan nan 1.461877896e+04 nan 0.84 nan 2.263039004e+04 nan nan nan 9.571630555e+03 2.332288016e+04 nan 1.262687274e+04 2.271220257e+04 0.86 nan 1.962616056e+04 nan nan nan 8.278565228e+03 2.024995952e+04 nan 1.094995713e+04 1.967607819e+04 0.88 nan 1.707197145e+04 nan nan nan 7.178504137e+03 1.761929467e+04 nan 9.531327877e+03 1.709353267e+04 0.90 nan 1.489658293e+04 nan nan nan 6.247326778e+03 1.535987495e+04 nan 8.324555163e+03 1.490353858e+04 0.92 nan 1.303879385e+04 2.207611345e+04 nan nan 5.463516899e+03 1.342291498e+04 nan 7.291617517e+03 1.304324752e+04 0.94 2.303032967e+04 1.144385630e+04 1.939236694e+04 2.303264810e+04 2.303607401e+04 4.803258254e+03 1.176460658e+04 2.046504872e+04 6.400922905e+03 1.145478382e+04 0.96 2.029673679e+04 1.006784972e+04 1.709342290e+04 2.028005749e+04 2.027461095e+04 4.240966482e+03 1.034388164e+04 1.803312206e+04 5.627498369e+03 1.009177667e+04 0.98 1.793070984e+04 8.876946170e+03 1.510558109e+04 1.790622357e+04 1.789526686e+04 3.753752401e+03 9.124800681e+03 1.592412463e+04 4.953526460e+03 8.915952610e+03 1.00 1.586971752e+04 7.845142817e+03 1.337400435e+04 1.584881322e+04 1.583688533e+04 3.325841757e+03 8.076252140e+03 1.408551732e+04 4.366775998e+03 7.893872350e+03 1.02 1.406822297e+04 6.949445210e+03 1.185763329e+04 1.405742433e+04 1.404889558e+04 2.947842304e+03 7.169360139e+03 1.247872153e+04 3.857190776e+03 6.998310541e+03 1.04 1.249102184e+04 6.169172296e+03 1.052512666e+04 1.249277720e+04 1.249079460e+04 2.613407591e+03 6.378001858e+03 1.107421838e+04 3.414835627e+03 6.210160828e+03 1.06 1.111049652e+04 5.487709339e+03 9.355181822e+03 1.112342789e+04 1.112850236e+04 2.317945302e+03 5.681487433e+03 9.848363704e+03 3.030221751e+03 5.517573112e+03 1.08 9.903260251e+03 4.891071130e+03 8.331452398e+03 9.922487979e+03 9.932368325e+03 2.058004089e+03 5.065749710e+03 8.779861443e+03 2.695023252e+03 4.911776486e+03 1.10 8.847646393e+03 4.367651378e+03 7.437003845e+03 8.866878479e+03 8.878092989e+03 1.830152454e+03 4.521706593e+03 7.848010806e+03 2.402573020e+03 4.383043740e+03 1.12 7.924716331e+03 3.908366281e+03 6.654813815e+03 7.937952323e+03 7.947279558e+03 1.630593465e+03 4.041974414e+03 7.033477681e+03 2.147265712e+03 3.920141190e+03 1.14 7.117485895e+03 3.504732402e+03 5.970141405e+03 7.120572570e+03 7.125745720e+03 1.455442640e+03 3.619130011e+03 6.318682660e+03 1.923993341e+03 3.512019775e+03 1.16 6.408303475e+03 3.148314838e+03 5.370724425e+03 6.400969311e+03 6.401113938e+03 1.301216183e+03 3.245918453e+03 5.687694650e+03 1.728244073e+03 3.150095385e+03 1.18 5.779952935e+03 2.832105730e+03 4.845034273e+03 5.766012617e+03 5.761618773e+03 1.165063781e+03 2.915748484e+03 5.127244988e+03 1.556056417e+03 2.828665434e+03 1.20 5.219082071e+03 2.551055966e+03 4.381595614e+03 5.203947662e+03 5.196415085e+03 1.044733123e+03 2.622713681e+03 4.627347870e+03 1.403858965e+03 2.543597967e+03 1.22 4.717003554e+03 2.300955601e+03 3.969073764e+03 4.704730434e+03 4.695792264e+03 9.381786272e+02 2.361758085e+03 4.180586374e+03 1.268576069e+03 2.291494738e+03 1.24 4.267300939e+03 2.077683632e+03 3.597537858e+03 4.259753452e+03 4.251078781e+03 8.434057752e+02 2.128967924e+03 3.780806827e+03 1.147668969e+03 2.069047683e+03 1.26 3.864457105e+03 1.877561367e+03 3.260320618e+03 3.861840919e+03 3.854832299e+03 7.587592665e+02 1.921638162e+03 3.422661457e+03 1.039062055e+03 1.872819542e+03 1.28 3.503522744e+03 1.697828124e+03 2.954004642e+03 3.505147672e+03 3.500886457e+03 6.830921782e+02 1.737745515e+03 3.101595097e+03 9.411112731e+02 1.699396537e+03 1.30 3.179974494e+03 1.536635791e+03 2.676619894e+03 3.184750584e+03 3.183898884e+03 6.155852049e+02 1.575182838e+03 2.813696548e+03 8.524530499e+02 1.545640366e+03 1.32 2.889782144e+03 1.392517307e+03 2.426443621e+03 2.896345219e+03 2.898955763e+03 5.555700694e+02 1.431569463e+03 2.555343737e+03 7.719181844e+02 1.408822654e+03 1.34 2.629192158e+03 1.263891858e+03 2.201731997e+03 2.636149461e+03 2.641602206e+03 5.024728151e+02 1.304444846e+03 2.323091647e+03 6.986215028e+02 1.286473621e+03 1.36 2.394710654e+03 1.149006038e+03 2.000487721e+03 2.400963610e+03 2.408119875e+03 4.556982894e+02 1.191472760e+03 2.113897980e+03 6.319629457e+02 1.176363886e+03 1.38 2.183268810e+03 1.046134682e+03 1.820363617e+03 2.188175569e+03 2.195719703e+03 4.145587307e+02 1.090534207e+03 1.925270132e+03 5.714922866e+02 1.076603183e+03 1.40 1.992157898e+03 9.538231129e+02 1.658849987e+03 1.995606916e+03 2.002428452e+03 3.783055659e+02 9.997716749e+02 1.755162797e+03 5.167893120e+02 9.855642480e+02 1.42 1.819074265e+03 8.709740306e+02 1.513609442e+03 1.821374800e+03 1.826753458e+03 3.462046356e+02 9.175937089e+02 1.601898704e+03 4.674261080e+02 9.018771803e+02 1.44 1.662354859e+03 7.967031729e+02 1.382760546e+03 1.663868479e+03 1.667422783e+03 3.176035208e+02 8.426283493e+02 1.464136169e+03 4.229909271e+02 8.245761929e+02 1.46 1.520893068e+03 7.301489614e+02 1.264860600e+03 1.521725570e+03 1.523308986e+03 2.919372233e+02 7.737470027e+02 1.340695106e+03 3.831103504e+02 7.530787852e+02 1.48 1.393710790e+03 6.703826707e+02 1.158651044e+03 1.393712676e+03 1.393364015e+03 2.686939916e+02 7.101064414e+02 1.230299780e+03 3.474384874e+02 6.869757377e+02 1.50 1.279692589e+03 6.164289798e+02 1.062970706e+03 1.278651876e+03 1.276572089e+03 2.474370870e+02 6.511406930e+02 1.131487280e+03 3.156337213e+02 6.259257921e+02 1.52 1.177565951e+03 5.673499926e+02 9.768486406e+02 1.175367872e+03 1.171883608e+03 2.278671141e+02 5.965005565e+02 1.042678027e+03 2.873353601e+02 5.696826824e+02 1.54 1.085922533e+03 5.223236559e+02 8.995091964e+02 1.082605000e+03 1.078125205e+03 2.098305332e+02 5.459509477e+02 9.623033341e+02 2.621515253e+02 5.180979274e+02 1.56 1.003244539e+03 4.806897041e+02 8.302181675e+02 9.990163866e+02 9.939991014e+02 1.932478678e+02 4.992842642e+02 8.889512487e+02 2.396787048e+02 4.710594402e+02 1.58 9.279988083e+02 4.419869973e+02 7.681354839e+02 9.232508209e+02 9.181743585e+02 1.780408426e+02 4.562918478e+02 8.214946021e+02 2.195413564e+02 4.284290961e+02 1.60 8.588255179e+02 4.059642508e+02 7.122950588e+02 8.540916098e+02 8.494118551e+02 1.641111892e+02 4.167602204e+02 7.591444820e+02 2.014286315e+02 3.900216086e+02 1.62 7.947383491e+02 3.725180844e+02 6.616611190e+02 7.905773903e+02 7.866723515e+02 1.513410656e+02 3.804652192e+02 7.014082048e+02 1.851051840e+02 3.556006481e+02 1.64 7.351890548e+02 3.415982331e+02 6.152268061e+02 7.320338991e+02 7.291591195e+02 1.395987936e+02 3.471774564e+02 6.479781545e+02 1.703902558e+02 3.248787991e+02 1.66 6.799153710e+02 3.131475608e+02 5.721326709e+02 6.779933795e+02 6.762756518e+02 1.287498370e+02 3.166832833e+02 5.986059626e+02 1.571280227e+02 2.975223080e+02 1.68 6.287252973e+02 2.870859271e+02 5.317534839e+02 6.280807811e+02 6.275450545e+02 1.186722568e+02 2.888056371e+02 5.530408508e+02 1.451705398e+02 2.731634245e+02 1.70 5.814108829e+02 2.633072578e+02 4.937051527e+02 5.819628701e+02 5.825561753e+02 1.092716091e+02 2.634091964e+02 5.110311837e+02 1.343691609e+02 2.514229886e+02 1.72 5.377512954e+02 2.416783215e+02 4.577877466e+02 5.393386187e+02 5.409362311e+02 1.004858556e+02 2.403846922e+02 4.723386439e+02 1.245724849e+02 2.319430497e+02 1.74 4.975287082e+02 2.220392354e+02 4.239080541e+02 4.999356514e+02 5.023440205e+02 9.227450447e+01 2.196237278e+02 4.367380762e+02 1.156348333e+02 2.144216386e+02 1.76 4.605365001e+02 2.042067561e+02 3.920045065e+02 4.635052714e+02 4.664741171e+02 8.460194484e+01 2.010017195e+02 4.040025476e+02 1.074280890e+02 1.986311975e+02 1.78 4.265704757e+02 1.879815142e+02 3.620113476e+02 4.298174618e+02 4.330644485e+02 7.743034739e+01 1.843742161e+02 3.738938789e+02 9.984821143e+01 1.844021619e+02 1.80 3.954084611e+02 1.731598431e+02 3.338572806e+02 3.986540750e+02 4.018996889e+02 7.072116427e+01 1.695794460e+02 3.461704053e+02 9.281316765e+01 1.715812468e+02 1.82 3.667987400e+02 1.595492247e+02 3.074727067e+02 3.698020840e+02 3.728054280e+02 6.443895910e+01 1.564434399e+02 3.206004153e+02 8.625679472e+01 1.600027818e+02 1.84 3.404661476e+02 1.469837459e+02 2.827978729e+02 3.430491306e+02 3.456321137e+02 5.855545186e+01 1.447870954e+02 2.969697129e+02 8.012456935e+01 1.494870171e+02 1.86 3.161298363e+02 1.353343432e+02 2.597880537e+02 3.181844508e+02 3.202390652e+02 5.305193377e+01 1.344335334e+02 2.750820983e+02 7.437132520e+01 1.398511668e+02 1.88 2.935286952e+02 1.245107974e+02 2.384115910e+02 2.950118708e+02 2.964950464e+02 4.791813619e+01 1.252128066e+02 2.547621866e+02 6.895862879e+01 1.309262343e+02 1.90 2.724490854e+02 1.144560807e+02 2.186408718e+02 2.733696339e+02 2.742901823e+02 4.314787814e+01 1.169623897e+02 2.358657381e+02 6.385366448e+01 1.225759287e+02 1.92 2.527434059e+02 1.051352545e+02 2.004431205e+02 2.531441750e+02 2.535449440e+02 3.873496684e+01 1.095271620e+02 2.182864928e+02 5.903093995e+01 1.147098410e+02 1.94 2.343260628e+02 9.652435540e+01 1.837763635e+02 2.342668586e+02 2.342076544e+02 3.467164517e+01 1.027643614e+02 2.019485765e+02 5.447373536e+01 1.072814102e+02 1.96 2.171461555e+02 8.860254871e+01 1.685884243e+02 2.166932146e+02 2.162402736e+02 3.094831228e+01 9.655108469e+01 1.867881082e+02 5.017300049e+01 1.002698966e+02 1.98 2.011580453e+02 8.134688103e+01 1.548164693e+02 2.003806285e+02 1.996032117e+02 2.755339863e+01 9.078767542e+01 1.727388486e+02 4.612387192e+01 9.366079742e+01 2.00 1.863087213e+02 7.473020828e+01 1.423867791e+02 1.852786861e+02 1.842486509e+02 2.447327385e+01 8.539571008e+01 1.597290784e+02 4.232207897e+01 8.743752234e+01 2.02 1.725366095e+02 6.872104535e+01 1.312148466e+02 1.713281292e+02 1.701196489e+02 2.169220045e+01 8.031488113e+01 1.476845394e+02 3.876231306e+01 8.158042160e+01 2.04 1.597731184e+02 6.328394617e+01 1.212059654e+02 1.584618910e+02 1.571506637e+02 1.919234979e+01 7.550194234e+01 1.365331474e+02 3.543792232e+01 7.606726615e+01 2.06 1.479454579e+02 5.838024003e+01 1.122565129e+02 1.466071308e+02 1.452688037e+02 1.695390231e+01 7.092945861e+01 1.262100228e+02 3.234085848e+01 7.087422554e+01 2.08 1.369808053e+02 5.396915663e+01 1.042561371e+02 1.356883566e+02 1.343959079e+02 1.495526118e+01 6.658102053e+01 1.166611924e+02 2.946170094e+01 6.597737282e+01 2.10 1.268115265e+02 5.000926410e+01 9.709094707e+01 1.256314760e+02 1.244514256e+02 1.317341665e+01 6.244452396e+01 1.078441482e+02 2.678978490e+01 6.135460957e+01 2.12 1.173804296e+02 4.645993368e+01 9.064751590e+01 1.163680908e+02 1.153557520e+02 1.158450438e+01 5.850799192e+01 9.972494665e+01 2.431346186e+01 5.698762404e+01 2.14 1.086441508e+02 4.328229193e+01 8.481707155e+01 1.078387147e+02 1.070332787e+02 1.016459778e+01 5.475891525e+01 9.227414241e+01 2.202050831e+01 5.286316738e+01 2.16 1.005725402e+02 4.043907610e+01 7.949903088e+01 9.999340704e+01 9.941427389e+01 8.890747707e+00 5.118499043e+01 8.546389048e+01 1.989866748e+01 4.897285336e+01 2.18 9.314357838e+01 3.789337854e+01 7.460365685e+01 9.278948028e+01 9.243538217e+01 7.742213561e+00 4.777513903e+01 7.926570053e+01 1.793625185e+01 4.531131878e+01 2.20 8.633672478e+01 3.560738716e+01 7.005494943e+01 8.618829296e+01 8.603986114e+01 6.701700766e+00 4.452050547e+01 7.364822088e+01 1.612265851e+01 4.187383465e+01 2.22 8.012873958e+01 3.354254729e+01 6.579460146e+01 8.015373192e+01 8.017872426e+01 5.756248877e+00 4.141507023e+01 6.857589932e+01 1.444860037e+01 3.865484181e+01 2.24 7.449243574e+01 3.166123588e+01 6.178477639e+01 7.465206223e+01 7.481168873e+01 4.897309730e+00 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