# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te-Zn # implementation = 2012--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = Te # 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 2.00 7.747325318e+01 3.815836835e+01 6.560436551e+01 7.746063529e+01 7.744801807e+01 1.812407698e+01 4.037385237e+01 6.916011518e+01 2.105264074e+01 4.006743742e+01 2.02 7.315768777e+01 3.562080569e+01 6.180482959e+01 7.314402312e+01 7.313036189e+01 1.680940565e+01 3.775835660e+01 6.521312991e+01 1.941810930e+01 3.745399114e+01 2.04 6.907167051e+01 3.322980648e+01 5.821207496e+01 6.905689229e+01 6.904212065e+01 1.557675997e+01 3.528659044e+01 6.147951374e+01 1.788445226e+01 3.499142320e+01 2.06 6.520298455e+01 3.097749977e+01 5.481522134e+01 6.518697203e+01 6.517096956e+01 1.442099265e+01 3.294982699e+01 5.794684986e+01 1.644721126e+01 3.267183477e+01 2.08 6.153997143e+01 2.885643090e+01 5.160406612e+01 6.152264140e+01 6.150532488e+01 1.333733896e+01 3.074165263e+01 5.460269119e+01 1.510074773e+01 3.048759267e+01 2.10 5.807123781e+01 2.685940938e+01 4.856884379e+01 5.805269617e+01 5.803417090e+01 1.232138884e+01 2.865385818e+01 5.143461736e+01 1.383976380e+01 2.843108457e+01 2.12 5.478531813e+01 2.497934191e+01 4.569992428e+01 5.476607543e+01 5.474685043e+01 1.136904903e+01 2.668126179e+01 4.843078225e+01 1.265927944e+01 2.649443497e+01 2.14 5.167044087e+01 2.320912364e+01 4.298753772e+01 5.165165300e+01 5.163288189e+01 1.047649113e+01 2.481843308e+01 4.558081505e+01 1.157067990e+01 2.466931263e+01 2.16 4.871465810e+01 2.154171298e+01 4.042169844e+01 4.869827838e+01 4.868191224e+01 9.640078174e+00 2.306339927e+01 4.287613963e+01 1.056851027e+01 2.294707284e+01 2.18 4.590662628e+01 1.997050321e+01 3.799252851e+01 4.589528025e+01 4.588394377e+01 8.856277901e+00 2.141032452e+01 4.030967982e+01 9.631875589e+00 2.131949343e+01 2.20 4.323691737e+01 1.848990705e+01 3.569090535e+01 4.323334130e+01 4.322977186e+01 8.121578327e+00 1.985333878e+01 3.787580781e+01 8.756754752e+00 1.977998393e+01 2.22 4.069927413e+01 1.709585725e+01 3.350904683e+01 4.070533298e+01 4.071139726e+01 7.432449635e+00 1.838643418e+01 3.556825169e+01 7.939309683e+00 1.832456909e+01 2.24 3.828736007e+01 1.578400399e+01 3.143802813e+01 3.830383415e+01 3.832031238e+01 6.785396385e+00 1.700354975e+01 3.338103231e+01 7.175903156e+00 1.694944959e+01 2.26 3.599981010e+01 1.455212998e+01 2.947180993e+01 3.602503214e+01 3.605025474e+01 6.177099838e+00 1.569892571e+01 3.131018363e+01 6.463126590e+00 1.565436660e+01 2.28 3.383075000e+01 1.339520530e+01 2.760140177e+01 3.386195425e+01 3.389315255e+01 5.604595180e+00 1.446767254e+01 2.935034861e+01 5.797833154e+00 1.443522765e+01 2.30 3.177466186e+01 1.230789337e+01 2.582011431e+01 3.180859977e+01 3.184252406e+01 5.065428211e+00 1.330637758e+01 2.749643422e+01 5.177145038e+00 1.328800013e+01 2.32 2.982642707e+01 1.128484540e+01 2.412493346e+01 2.986033870e+01 2.989422994e+01 4.557940400e+00 1.221133584e+01 2.574352620e+01 4.598414472e+00 1.220888267e+01 2.34 2.798128166e+01 1.032120219e+01 2.251210533e+01 2.801265024e+01 2.804399397e+01 4.080004197e+00 1.118150194e+01 2.408673142e+01 4.059284271e+00 1.119429123e+01 2.36 2.623474218e+01 9.413136461e+00 2.098428899e+01 2.626299691e+01 2.629122411e+01 3.631640708e+00 1.021362854e+01 2.252100182e+01 3.557315163e+00 1.024084247e+01 2.38 2.458248732e+01 8.557781265e+00 1.953752295e+01 2.460706616e+01 2.463161689e+01 3.211283313e+00 9.304480661e+00 2.104099274e+01 3.090228550e+00 9.345332173e+00 2.40 2.302018207e+01 7.752909990e+00 1.816807888e+01 2.304055237e+01 2.306089644e+01 2.817588101e+00 8.450995723e+00 1.964103422e+01 2.655895106e+00 8.504707281e+00 2.42 2.154324806e+01 6.997164266e+00 1.687243763e+01 2.155896447e+01 2.157465922e+01 2.449330106e+00 7.650276078e+00 1.831529092e+01 2.252297096e+00 7.716032910e+00 2.44 2.014661485e+01 6.287638856e+00 1.564727925e+01 2.015740766e+01 2.016818572e+01 2.105393041e+00 6.899580575e+00 1.705810521e+01 1.877580316e+00 6.976457462e+00 2.46 1.882454567e+01 5.622304370e+00 1.448947003e+01 1.883042988e+01 1.883630756e+01 1.784752035e+00 6.196315232e+00 1.586477631e+01 1.530053635e+00 6.283184252e+00 2.48 1.757069068e+01 4.998106013e+00 1.339604372e+01 1.757206616e+01 1.757344303e+01 1.486445221e+00 5.538021414e+00 1.472922673e+01 1.208154259e+00 5.633460227e+00 2.50 1.637853232e+01 4.414662637e+00 1.236417351e+01 1.637622447e+01 1.637392384e+01 1.209529546e+00 4.922360871e+00 1.364982602e+01 9.105053132e-01 5.024592254e+00 2.52 1.524226863e+01 3.869724503e+00 1.139113113e+01 1.523745290e+01 1.523264724e+01 9.530169693e-01 4.347096082e+00 1.262341850e+01 6.358095604e-01 4.454000057e+00 2.54 1.415787352e+01 3.361247701e+00 1.047423044e+01 1.415186132e+01 1.414585927e+01 7.157916188e-01 3.810065749e+00 1.164854004e+01 3.826945870e-01 3.919309348e+00 2.56 1.312499404e+01 2.887477271e+00 9.610757593e+00 1.311877533e+01 1.311256515e+01 4.965185050e-01 3.309157474e+00 1.072322074e+01 1.498053786e-01 3.418858688e+00 2.58 1.213839565e+01 2.446328761e+00 8.797899000e+00 1.213324592e+01 1.212810233e+01 2.935711001e-01 2.842283209e+00 9.848890001e+00 -6.420836031e-02 2.949548346e+00 2.60 1.120433037e+01 2.036604032e+00 8.032689646e+00 1.120036560e+01 1.119640486e+01 1.050221545e-01 2.407366735e+00 9.023237143e+00 -2.606847433e-01 2.511269268e+00 2.62 1.032049518e+01 1.656600431e+00 7.312018150e+00 1.031773410e+01 1.031497546e+01 -7.125277928e-02 2.002355898e+00 8.244049004e+00 -4.409129643e-01 2.102114788e+00 2.64 9.484652844e+00 1.304724677e+00 6.632722341e+00 9.483008652e+00 9.481365707e+00 -2.373398113e-01 1.625268216e+00 7.509208097e+00 -6.060746090e-01 1.720526803e+00 2.66 8.694660583e+00 9.794524155e-01 5.991789712e+00 8.693947019e+00 8.693233855e+00 -3.949645074e-01 1.274268308e+00 6.816688610e+00 -7.571929917e-01 1.365026563e+00 2.68 7.948465811e+00 6.793254864e-01 5.386629209e+00 7.948429349e+00 7.948392723e+00 -5.451887604e-01 9.477571178e-01 6.164551700e+00 -8.951269739e-01 1.034210956e+00 2.70 7.244103011e+00 4.029497578e-01 4.815317435e+00 7.244478701e+00 7.244853906e+00 -6.882442932e-01 6.448271045e-01 5.550941289e+00 -1.020609095e+00 7.267496336e-01 2.72 6.579690006e+00 1.489924151e-01 4.276865956e+00 6.580280220e+00 6.580869807e+00 -8.233972705e-01 3.631199361e-01 4.974078570e+00 -1.133959738e+00 4.413818596e-01 2.74 5.953425151e+00 -8.382003274e-02 3.769281712e+00 5.954007080e+00 5.954588383e+00 -9.512315690e-01 1.030090788e-01 4.432256516e+00 -1.236844850e+00 1.769138279e-01 2.76 5.363583880e+00 -2.967040101e-01 3.293476216e+00 5.364158968e+00 5.364733444e+00 -1.069072013e+00 -1.367350933e-01 3.923833326e+00 -1.328729052e+00 -6.778422418e-02 2.78 4.808515945e+00 -4.908209455e-01 2.847907489e+00 4.809084151e+00 4.809651758e+00 -1.177370352e+00 -3.572125386e-01 3.447226228e+00 -1.410567126e+00 -2.937806186e-01 2.80 4.286642243e+00 -6.672792184e-01 2.431126665e+00 4.287203576e+00 4.287764326e+00 -1.276584186e+00 -5.594725734e-01 3.000905489e+00 -1.483134155e+00 -5.020851563e-01 2.82 3.796450932e+00 -8.271360920e-01 2.041741875e+00 3.797005458e+00 3.797559412e+00 -1.367154278e+00 -7.445222617e-01 2.583391216e+00 -1.547239515e+00 -6.936526598e-01 2.84 3.336493959e+00 -9.713994411e-01 1.678416603e+00 3.337041786e+00 3.337589052e+00 -1.449504912e+00 -9.133351509e-01 2.193253463e+00 -1.603701049e+00 -8.693865555e-01 2.86 2.905381552e+00 -1.101029588e+00 1.339867346e+00 2.905922811e+00 2.906463522e+00 -1.524044726e+00 -1.066859614e+00 1.829115808e+00 -1.653292725e+00 -1.030144053e+00 2.88 2.501776509e+00 -1.216940868e+00 1.024861938e+00 2.502311333e+00 2.502845623e+00 -1.591167084e+00 -1.206023731e+00 1.489660383e+00 -1.696678397e+00 -1.176741803e+00 2.90 2.124386658e+00 -1.320003248e+00 7.322175958e-01 2.124915149e+00 2.125443116e+00 -1.651250720e+00 -1.331735453e+00 1.173630198e+00 -1.734364668e+00 -1.309962784e+00 2.92 1.771956969e+00 -1.411043789e+00 4.607993800e-01 1.772479146e+00 1.773000811e+00 -1.704660086e+00 -1.444877014e+00 8.798265009e-01 -1.766705978e+00 -1.430563004e+00 2.94 1.443261087e+00 -1.490848069e+00 2.095183308e-01 1.443776829e+00 1.444292071e+00 -1.751745959e+00 -1.546297322e+00 6.071047489e-01 -1.793960596e+00 -1.539277435e+00 2.96 1.137095474e+00 -1.560161514e+00 -2.266999664e-02 1.137604464e+00 1.138112963e+00 -1.792845819e+00 -1.636807408e+00 3.544194806e-01 -1.816349577e+00 -1.636822237e+00 2.98 8.522782945e-01 -1.619690633e+00 -2.367670891e-01 8.527799695e-01 8.532811637e-01 -1.828284277e+00 -1.717180842e+00 1.205467361e-01 -1.834114821e+00 -1.723891597e+00 3.00 5.876557243e-01 -1.670104178e+00 -4.337330406e-01 5.881492754e-01 5.886423552e-01 -1.858373548e+00 -1.788151270e+00 -9.531995757e-02 -1.847482982e+00 -1.801148857e+00 3.02 3.421169054e-01 -1.712034206e+00 -6.144877993e-01 3.426013329e-01 3.430852983e-01 -1.883413759e+00 -1.850393846e+00 -2.942051491e-01 -1.856502033e+00 -1.869214868e+00 3.04 1.146118673e-01 -1.746077062e+00 -7.799126834e-01 1.150861092e-01 1.155598981e-01 -1.903693384e+00 -1.904503707e+00 -4.770451134e-01 -1.861450874e+00 -1.928662650e+00 3.06 -9.583660211e-02 -1.772794282e+00 -9.308516786e-01 -9.537349808e-02 -9.491083787e-02 -1.919489627e+00 -1.951064313e+00 -6.447137788e-01 -1.862591544e+00 -1.980027804e+00 3.08 -2.901361175e-01 -1.792713349e+00 -1.068112548e+00 -2.896848405e-01 -2.892339977e-01 -1.931068680e+00 -1.990352556e+00 -7.980302590e-01 -1.860169374e+00 -2.023836398e+00 3.10 -4.691414343e-01 -1.806328467e+00 -1.192468250e+00 -4.687023436e-01 -4.682636768e-01 -1.938686152e+00 -2.022827446e+00 -9.377766260e-01 -1.854413274e+00 -2.060633897e+00 3.12 -6.336672097e-01 -1.814101232e+00 -1.304657922e+00 -6.332403759e-01 -6.328139551e-01 -1.942587316e+00 -2.048925918e+00 -1.064711427e+00 -1.845535916e+00 -2.090984849e+00 3.14 -7.843596809e-01 -1.816461259e+00 -1.405388167e+00 -7.839449987e-01 -7.835307183e-01 -1.943007499e+00 -2.069063949e+00 -1.179484248e+00 -1.833734108e+00 -2.115181254e+00 3.16 -9.223704658e-01 -1.813806919e+00 -1.495334065e+00 -9.219677277e-01 -9.215653799e-01 -1.940172317e+00 -2.083637688e+00 -1.283060386e+00 -1.819189216e+00 -2.134479514e+00 3.18 -1.047909166e+00 -1.806506130e+00 -1.575140173e+00 -1.047518125e+00 -1.047127462e+00 -1.934297984e+00 -2.093024831e+00 -1.375808557e+00 -1.802067919e+00 -2.148465129e+00 3.20 -1.161748228e+00 -1.794897429e+00 -1.645421580e+00 -1.161368619e+00 -1.160989377e+00 -1.925591592e+00 -2.097586264e+00 -1.458425610e+00 -1.782523366e+00 -2.157695919e+00 3.22 -1.264531058e+00 -1.779291473e+00 -1.706764897e+00 -1.264162622e+00 -1.263794543e+00 -1.914251378e+00 -2.097667942e+00 -1.531507965e+00 -1.760696993e+00 -2.162477043e+00 3.24 -1.356875048e+00 -1.759973229e+00 -1.759729132e+00 -1.356517528e+00 -1.356160355e+00 -1.900466978e+00 -2.093603074e+00 -1.595626484e+00 -1.736721238e+00 -2.163100718e+00 3.26 -1.439372374e+00 -1.737205139e+00 -1.804846674e+00 -1.439025519e+00 -1.438679001e+00 -1.884419690e+00 -2.085714421e+00 -1.651327299e+00 -1.710723552e+00 -2.159846625e+00 3.28 -1.512590738e+00 -1.711231690e+00 -1.842624173e+00 -1.512254300e+00 -1.511918187e+00 -1.866282699e+00 -2.074316470e+00 -1.699132483e+00 -1.682831996e+00 -2.152982258e+00 3.30 -1.577074056e+00 -1.682285789e+00 -1.873543421e+00 -1.576747790e+00 -1.576421840e+00 -1.846221301e+00 -2.059716839e+00 -1.739540824e+00 -1.653182814e+00 -2.142763254e+00 3.32 -1.633343236e+00 -1.650597299e+00 -1.898062321e+00 -1.633026901e+00 -1.632710874e+00 -1.824393149e+00 -2.042216138e+00 -1.773028453e+00 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