# 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 = 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 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 2.444341425e+04 nan nan nan nan 0.74 nan nan nan nan nan 2.074532510e+04 nan nan nan nan 0.76 nan nan nan nan nan 1.766984674e+04 nan nan 2.331593477e+04 nan 0.78 nan nan nan nan nan 1.510540455e+04 nan nan 1.991304823e+04 nan 0.80 nan nan nan nan nan 1.295863813e+04 nan nan 1.706533368e+04 nan 0.82 nan nan nan nan nan 1.115127153e+04 nan nan 1.467997432e+04 nan 0.84 nan 2.271097563e+04 nan nan nan 9.621271065e+03 2.341137547e+04 nan 1.267865838e+04 2.280209393e+04 0.86 nan 1.969478669e+04 nan nan nan 8.320797464e+03 2.032560275e+04 nan 1.099362924e+04 1.975319598e+04 0.88 nan 1.713029775e+04 nan nan nan 7.214407336e+03 1.768387038e+04 nan 9.567985026e+03 1.715968642e+04 0.90 nan 1.494601394e+04 nan nan nan 6.277792210e+03 1.541495576e+04 nan 8.355138134e+03 1.496019840e+04 0.92 nan 1.308050803e+04 2.215348605e+04 nan nan 5.489241870e+03 1.346982375e+04 nan 7.316937822e+03 1.309162375e+04 0.94 2.311111758e+04 1.147886929e+04 1.945910485e+04 2.311336890e+04 2.311676132e+04 4.824787991e+03 1.180443531e+04 2.053573066e+04 6.421692381e+03 1.149591676e+04 0.96 2.036664489e+04 1.009705234e+04 1.715078881e+04 2.034997582e+04 2.034452556e+04 4.258761812e+03 1.037754382e+04 1.809398872e+04 5.644355835e+03 1.012657103e+04 0.98 1.799105994e+04 8.901117836e+03 1.515470749e+04 1.796665212e+04 1.795572377e+04 3.768255532e+03 9.153069018e+03 1.597639852e+04 4.967043922e+03 8.945190239e+03 1.00 1.592169862e+04 7.864951423e+03 1.341591901e+04 1.590090019e+04 1.588902332e+04 3.337491812e+03 8.099778138e+03 1.413029373e+04 4.377446777e+03 7.918244729e+03 1.02 1.411289109e+04 6.965455025e+03 1.189325600e+04 1.410218658e+04 1.409371586e+04 2.957050060e+03 7.188700668e+03 1.251696757e+04 3.865420999e+03 7.018450768e+03 1.04 1.252930289e+04 6.181875242e+03 1.055528295e+04 1.253111222e+04 1.252917418e+04 2.620538128e+03 6.393659241e+03 1.110677519e+04 3.420958554e+03 6.226651777e+03 1.06 1.114319305e+04 5.497536192e+03 9.380599163e+03 1.115611886e+04 1.116120630e+04 2.323317752e+03 5.693933817e+03 9.875947720e+03 3.034518131e+03 5.530928806e+03 1.08 9.931053890e+03 4.898395472e+03 8.352738018e+03 9.950216317e+03 9.960072806e+03 2.061884610e+03 5.075425744e+03 8.803071516e+03 2.697736790e+03 4.922418709e+03 1.10 8.871117191e+03 4.372802334e+03 7.454657983e+03 8.890243131e+03 8.901405880e+03 1.832754709e+03 4.529001149e+03 7.867349985e+03 2.403914840e+03 4.391307327e+03 1.12 7.944360198e+03 3.911625661e+03 6.669261214e+03 7.957480260e+03 7.966743801e+03 1.632089347e+03 4.047212830e+03 7.049377258e+03 2.147412567e+03 3.926302965e+03 1.14 7.133717345e+03 3.506334126e+03 5.981750704e+03 7.136718102e+03 7.141833736e+03 1.455977122e+03 3.622582477e+03 6.331517741e+03 1.923093985e+03 3.516331709e+03 1.16 6.421473713e+03 3.148464437e+03 5.379807958e+03 6.414118238e+03 6.414227299e+03 1.300917497e+03 3.247815287e+03 5.697802623e+03 1.726426163e+03 3.152800332e+03 1.18 5.790387375e+03 2.830995579e+03 4.851852088e+03 5.776498308e+03 5.772099801e+03 1.164047259e+03 2.916289953e+03 5.134940648e+03 1.553429867e+03 2.829987520e+03 1.20 5.227100151e+03 2.548860585e+03 4.386370376e+03 5.212065735e+03 5.204560069e+03 1.043099453e+03 2.622077271e+03 4.632925144e+03 1.400521152e+03 2.543731941e+03 1.22 4.722905812e+03 2.297823887e+03 3.972011094e+03 4.710745491e+03 4.701860008e+03 9.360123139e+02 2.360106066e+03 4.184310972e+03 1.264617406e+03 2.290601984e+03 1.24 4.271353889e+03 2.073745422e+03 3.598849852e+03 4.263904120e+03 4.255298471e+03 8.407824085e+02 2.126450389e+03 3.782913470e+03 1.143174463e+03 2.067256336e+03 1.26 3.866893751e+03 1.872937728e+03 3.260231269e+03 3.864344687e+03 3.857410478e+03 7.557523237e+02 1.918388826e+03 3.423357766e+03 1.034112471e+03 1.870231646e+03 1.28 3.504545158e+03 1.692634016e+03 2.952730661e+03 3.506201410e+03 3.502008550e+03 6.797713326e+02 1.733872369e+03 3.101064534e+03 9.357828381e+02 1.696096500e+03 1.30 3.179758816e+03 1.530973939e+03 2.674351394e+03 3.184530556e+03 3.183729140e+03 6.120108687e+02 1.570765991e+03 2.812098884e+03 8.468162878e+02 1.541702036e+03 1.32 2.888481642e+03 1.386470526e+03 2.423340016e+03 2.895009239e+03 2.897641410e+03 5.517916470e+02 1.426668086e+03 2.552816628e+03 7.660399403e+02 1.404311644e+03 1.34 2.626939707e+03 1.257523113e+03 2.197922646e+03 2.633840245e+03 2.639280213e+03 4.985272345e+02 1.299105493e+03 2.319756235e+03 6.925662453e+02 1.281448727e+03 1.36 2.391624393e+03 1.142364862e+03 1.996073968e+03 2.397811633e+03 2.404922182e+03 4.516089590e+02 1.185735379e+03 2.109864344e+03 6.257900274e+02 1.170881562e+03 1.38 2.179455516e+03 1.039264358e+03 1.815425249e+03 2.184299204e+03 2.191773380e+03 4.103382181e+02 1.084435877e+03 1.920638378e+03 5.652525905e+02 1.070719597e+03 1.40 1.987714708e+03 9.467645662e+02 1.653454013e+03 1.991111671e+03 1.997851669e+03 3.739603796e+02 9.933492614e+02 1.750022277e+03 5.105242200e+02 9.793357541e+02 1.42 1.814092385e+03 8.637643146e+02 1.507817535e+03 1.816353690e+03 1.821651126e+03 3.417397946e+02 9.108849200e+02 1.596327915e+03 4.611686144e+02 8.953632986e+02 1.44 1.656919871e+03 7.893716113e+02 1.376631464e+03 1.658402935e+03 1.661885319e+03 3.130251205e+02 8.356728625e+02 1.458201273e+03 4.167672067e+02 8.178403930e+02 1.46 1.515078763e+03 7.227158616e+02 1.258447080e+03 1.515884873e+03 1.517412314e+03 2.872527190e+02 7.665881358e+02 1.334446946e+03 3.769402894e+02 7.461839121e+02 1.48 1.387573718e+03 6.628614815e+02 1.151997344e+03 1.387553223e+03 1.387169526e+03 2.639130250e+02 7.027910457e+02 1.223773516e+03 3.413354675e+02 6.799797038e+02 1.50 1.273272799e+03 6.088306367e+02 1.056114466e+03 1.272217791e+03 1.270127038e+03 2.425739778e+02 6.437172353e+02 1.124706536e+03 3.096046075e+02 6.188814570e+02 1.52 1.170890450e+03 5.596872017e+02 9.698222442e+02 1.168691619e+03 1.165221422e+03 2.229415128e+02 5.890159336e+02 1.035660822e+03 2.813810372e+02 5.626381718e+02 1.54 1.079009288e+03 5.146135834e+02 8.923377842e+02 1.075709222e+03 1.071267399e+03 2.048641934e+02 5.384474579e+02 9.550679384e+02 2.562686675e+02 5.110950593e+02 1.56 9.961074706e+02 4.729551080e+02 8.229169609e+02 9.919180655e+02 9.869596780e+02 1.882600663e+02 4.917983412e+02 8.815207328e+02 2.338625507e+02 4.641314484e+02 1.58 9.206540996e+02 4.342560844e+02 7.607106111e+02 9.159664567e+02 9.109650005e+02 1.730464879e+02 4.488543085e+02 8.138988244e+02 2.137882369e+02 4.215997067e+02 1.60 8.512973308e+02 3.982681670e+02 7.047475518e+02 8.466414721e+02 8.420462345e+02 1.591212679e+02 4.093967101e+02 7.514187984e+02 1.957371287e+02 3.833053485e+02 1.62 7.870607229e+02 3.648866514e+02 6.539920398e+02 7.829870270e+02 7.791682474e+02 1.463636987e+02 3.731968234e+02 6.935899082e+02 1.794754321e+02 3.490036028e+02 1.64 7.274019953e+02 3.340565848e+02 6.074423084e+02 7.243323231e+02 7.215378510e+02 1.346405630e+02 3.400217834e+02 6.401023084e+02 1.648222647e+02 3.183997688e+02 1.66 6.720576739e+02 3.057149950e+02 5.642474626e+02 6.702094778e+02 6.685597622e+02 1.238172404e+02 3.096555376e+02 5.907028235e+02 1.516205338e+02 2.911544517e+02 1.68 6.208302220e+02 2.797760018e+02 5.237911989e+02 6.202410174e+02 6.197563726e+02 1.137729541e+02 2.819189974e+02 5.451357545e+02 1.397208221e+02 2.668964034e+02 1.70 5.735059773e+02 2.561281791e+02 4.856957242e+02 5.740909517e+02 5.747150539e+02 1.044149458e+02 2.566742134e+02 5.031454198e+02 1.289733251e+02 2.452454386e+02 1.72 5.298593203e+02 2.346335277e+02 4.497636853e+02 5.314556688e+02 5.330615393e+02 9.568227693e+01 2.338080762e+02 4.644900231e+02 1.192263965e+02 2.258449052e+02 1.74 4.896683535e+02 2.151282316e+02 4.159010107e+02 4.920603572e+02 4.944536248e+02 8.753423315e+01 2.132073881e+02 4.289409726e+02 1.103353429e+02 2.083954952e+02 1.76 4.527226076e+02 1.974262341e+02 3.840431582e+02 4.556539796e+02 4.585854101e+02 7.993409733e+01 1.947426460e+02 3.962679237e+02 1.021738798e+02 1.926719150e+02 1.78 4.188138649e+02 1.813267366e+02 3.541211432e+02 4.220042751e+02 4.251946854e+02 7.284301266e+01 1.782650302e+02 3.662299275e+02 9.463990644e+01 1.785048729e+02 1.80 3.877159947e+02 1.666261665e+02 3.260609140e+02 3.908909534e+02 3.940659122e+02 6.622187765e+01 1.636092546e+02 3.385836090e+02 8.765287030e+01 1.657395563e+02 1.82 3.591742060e+02 1.531335022e+02 2.997905964e+02 3.620991178e+02 3.650240296e+02 6.003516500e+01 1.505988728e+02 3.130964364e+02 8.114759290e+01 1.542088143e+02 1.84 3.329117770e+02 1.406852545e+02 2.752484441e+02 3.354150277e+02 3.379182785e+02 5.425477964e+01 1.390534132e+02 2.895539026e+02 7.507026240e+01 1.437327957e+02 1.86 3.086480360e+02 1.291549678e+02 2.523876649e+02 3.106273677e+02 3.126066994e+02 4.886212499e+01 1.287956247e+02 2.677598317e+02 6.937623730e+01 1.341303261e+02 1.88 2.861236384e+02 1.184544886e+02 2.311740741e+02 2.875404723e+02 2.889573063e+02 4.384658659e+01 1.196559289e+02 2.475393384e+02 6.402745643e+01 1.252355961e+02 1.90 2.651276648e+02 1.085278144e+02 2.115769334e+02 2.659937999e+02 2.668599350e+02 3.920103656e+01 1.114727317e+02 2.287490519e+02 5.899152045e+01 1.169164392e+02 1.92 2.455150233e+02 9.933984100e+01 1.935599818e+02 2.458748432e+02 2.462346632e+02 3.491795963e+01 1.040925374e+02 2.112832705e+02 5.424345739e+01 1.090863383e+02 1.94 2.272011415e+02 9.086551462e+01 1.770776983e+02 2.271149087e+02 2.270286759e+02 3.098817496e+01 9.737507587e+01 1.950656754e+02 4.976694095e+01 1.017011032e+02 1.96 2.101341728e+02 8.308231965e+01 1.620744197e+02 2.096679929e+02 2.092018130e+02 2.740064314e+01 9.120050668e+01 1.800309318e+02 4.555291044e+01 9.474034542e+01 1.98 1.942663537e+02 7.596534046e+01 1.484839532e+02 1.934890689e+02 1.927117841e+02 2.414235557e+01 8.547221167e+01 1.661110327e+02 4.159598637e+01 8.818865548e+01 2.00 1.795424334e+02 6.948548379e+01 1.362294316e+02 1.785252350e+02 1.775080365e+02 2.119825766e+01 8.011439866e+01 1.532327962e+02 3.789104762e+01 8.202830840e+01 2.02 1.658989120e+02 6.360946725e+01 1.252235214e+02 1.647150040e+02 1.635310960e+02 1.855122613e+01 7.506898147e+01 1.413210002e+02 3.443185525e+01 7.623867896e+01 2.04 1.532657003e+02 5.830026690e+01 1.153691417e+02 1.519894414e+02 1.507131825e+02 1.618211866e+01 7.029456545e+01 1.303030791e+02 3.121085685e+01 7.079679401e+01 2.06 1.415690111e+02 5.351791381e+01 1.065608921e+02 1.402742757e+02 1.389795404e+02 1.406991923e+01 6.576499423e+01 1.201140158e+02 2.821915973e+01 6.567834583e+01 2.08 1.307355502e+02 4.922066541e+01 9.868737580e+01 1.294930696e+02 1.282505891e+02 1.219200898e+01 6.146433762e+01 1.106997828e+02 2.544657567e+01 6.085920913e+01 2.10 1.206976739e+02 4.536645597e+01 9.163448842e+01 1.195712568e+02 1.184448397e+02 1.052459857e+01 5.738031888e+01 1.020175896e+02 2.288177282e+01 5.631733349e+01 2.12 1.113984473e+02 4.191431906e+01 8.528944023e+01 1.104403275e+02 1.094822077e+02 9.043360639e+00 5.350057819e+01 9.403278549e+01 2.051256048e+01 5.203460244e+01 2.14 1.027946945e+02 3.882523962e+01 7.954486361e+01 1.020408310e+02 1.012869674e+02 7.724291824e+00 4.981231953e+01 8.671483154e+01 1.832631710e+01 4.799794044e+01 2.16 9.485599877e+01 3.606189263e+01 7.430217953e+01 9.432274391e+01 9.378948904e+01 6.544799078e+00 4.630311523e+01 8.003454313e+01 1.631053844e+01 4.419891725e+01 2.18 8.755939147e+01 3.358735281e+01 6.947408678e+01 8.724300751e+01 8.692662355e+01 5.484925904e+00 4.296190389e+01 7.396192057e+01 1.445342312e+01 4.063179158e+01 2.20 8.088282222e+01 3.136396438e+01 6.498734014e+01 8.076236839e+01 8.064191456e+01 4.528498951e+00 3.977992545e+01 6.846403155e+01 1.274434010e+01 3.729117873e+01 2.22 7.480133110e+01 2.935371515e+01 6.078651569e+01 7.484402571e+01 7.488672033e+01 3.663813055e+00 3.675123479e+01 6.350383996e+01 1.117398509e+01 3.417075577e+01 2.24 6.928604861e+01 2.752001082e+01 5.683632662e+01 6.945352117e+01 6.962099373e+01 2.883408597e+00 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