# 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 # implementation = 2012--Ward-D-K--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 2.00 7.747331100e+01 3.815839671e+01 6.560441451e+01 7.746069312e+01 7.744807586e+01 1.812409822e+01 4.037388453e+01 6.916016595e+01 2.105266078e+01 4.006747051e+01 2.02 7.315774054e+01 3.562083190e+01 6.180487433e+01 7.314407583e+01 7.313041452e+01 1.680942493e+01 3.775838646e+01 6.521317703e+01 1.941812784e+01 3.745402157e+01 2.04 6.907171948e+01 3.322983084e+01 5.821211647e+01 6.905694126e+01 6.904216956e+01 1.557677805e+01 3.528661822e+01 6.147955759e+01 1.788446921e+01 3.499145101e+01 2.06 6.520303406e+01 3.097752308e+01 5.481526278e+01 6.518702147e+01 6.517101894e+01 1.442101073e+01 3.294985330e+01 5.794689519e+01 1.644722795e+01 3.267186257e+01 2.08 6.154001719e+01 2.885645241e+01 5.160410438e+01 6.152268710e+01 6.150537051e+01 1.333735580e+01 3.074167753e+01 5.460273346e+01 1.510076335e+01 3.048761851e+01 2.10 5.807127755e+01 2.685942893e+01 4.856887760e+01 5.805273589e+01 5.803421057e+01 1.232140368e+01 2.865388029e+01 5.143465622e+01 1.383977739e+01 2.843110683e+01 2.12 5.478535714e+01 2.497936025e+01 4.569995705e+01 5.476611440e+01 5.474688940e+01 1.136906362e+01 2.668128299e+01 4.843081710e+01 1.265929259e+01 2.649445695e+01 2.14 5.167047625e+01 2.320914063e+01 4.298756732e+01 5.165168833e+01 5.163291719e+01 1.047650430e+01 2.481845220e+01 4.558084864e+01 1.157069156e+01 2.466933266e+01 2.16 4.871469453e+01 2.154172909e+01 4.042172857e+01 4.869831481e+01 4.868194866e+01 9.640091829e+00 2.306341856e+01 4.287617167e+01 1.056852221e+01 2.294709311e+01 2.18 4.590665791e+01 1.997051816e+01 3.799255515e+01 4.589531187e+01 4.588397538e+01 8.856289994e+00 2.141034153e+01 4.030970860e+01 9.631886072e+00 2.131951099e+01 2.20 4.323694701e+01 1.848992056e+01 3.569093024e+01 4.323337092e+01 4.322980146e+01 8.121589663e+00 1.985335463e+01 3.787583514e+01 8.756764477e+00 1.978000031e+01 2.22 4.069930402e+01 1.709587017e+01 3.350907137e+01 4.070536288e+01 4.071142718e+01 7.432460920e+00 1.838644956e+01 3.556827797e+01 7.939319123e+00 1.832458544e+01 2.24 3.828738758e+01 1.578401595e+01 3.143805097e+01 3.830386167e+01 3.832033991e+01 6.785406859e+00 1.700356379e+01 3.338105669e+01 7.175911847e+00 1.694946461e+01 2.26 3.599983655e+01 1.455214102e+01 2.947183176e+01 3.602505863e+01 3.605028125e+01 6.177109912e+00 1.569893909e+01 3.131020665e+01 6.463134764e+00 1.565438101e+01 2.28 3.383077513e+01 1.339521553e+01 2.760142227e+01 3.386197941e+01 3.389317775e+01 5.604604828e+00 1.446768497e+01 2.935037017e+01 5.797840891e+00 1.443524127e+01 2.30 3.177468559e+01 1.230790285e+01 2.582013392e+01 3.180862354e+01 3.184254786e+01 5.065437472e+00 1.330638956e+01 2.749645483e+01 5.177152272e+00 1.328801308e+01 2.32 2.982644947e+01 1.128485411e+01 2.412495168e+01 2.986036111e+01 2.989425237e+01 4.557949136e+00 1.221134671e+01 2.574354550e+01 4.598421318e+00 1.220889480e+01 2.34 2.798130187e+01 1.032120983e+01 2.251212189e+01 2.801267049e+01 2.804401429e+01 4.080012066e+00 1.118151185e+01 2.408674934e+01 4.059290413e+00 1.119430207e+01 2.36 2.623476199e+01 9.413144007e+00 2.098430484e+01 2.626301678e+01 2.629124400e+01 3.631648560e+00 1.021363810e+01 2.252101867e+01 3.557321277e+00 1.024085312e+01 2.38 2.458250563e+01 8.557788180e+00 1.953753746e+01 2.460708446e+01 2.463163516e+01 3.211290427e+00 9.304489444e+00 2.104100868e+01 3.090233945e+00 9.345341892e+00 2.40 2.302019856e+01 7.752916314e+00 1.816809205e+01 2.304056890e+01 2.306091303e+01 2.817594631e+00 8.451003832e+00 1.964104843e+01 2.655900062e+00 8.504716067e+00 2.42 2.154326364e+01 6.997169786e+00 1.687244997e+01 2.155898000e+01 2.157467475e+01 2.449336221e+00 7.650283585e+00 1.831530412e+01 2.252301562e+00 7.716041214e+00 2.44 2.014662977e+01 6.287643751e+00 1.564729109e+01 2.015742261e+01 2.016820068e+01 2.105398959e+00 6.899587493e+00 1.705811823e+01 1.877584687e+00 6.976465423e+00 2.46 1.882455936e+01 5.622308725e+00 1.448948067e+01 1.883044354e+01 1.883632119e+01 1.784757441e+00 6.196321480e+00 1.586478787e+01 1.530057605e+00 6.283191444e+00 2.48 1.757070370e+01 4.998109920e+00 1.339605384e+01 1.757207922e+01 1.757345608e+01 1.486450474e+00 5.538027333e+00 1.472923798e+01 1.208157925e+00 5.633467115e+00 2.50 1.637854427e+01 4.414666339e+00 1.236418262e+01 1.637623642e+01 1.637393582e+01 1.209534457e+00 4.922366365e+00 1.364983609e+01 9.105087651e-01 5.024598522e+00 2.52 1.524227944e+01 3.869727838e+00 1.139113942e+01 1.523746365e+01 1.523265799e+01 9.530213389e-01 4.347100906e+00 1.262342751e+01 6.358125519e-01 4.454005642e+00 2.54 1.415788417e+01 3.361250543e+00 1.047423851e+01 1.415187196e+01 1.414586987e+01 7.157960002e-01 3.810070377e+00 1.164854832e+01 3.826975405e-01 3.919314882e+00 2.56 1.312500380e+01 2.887479914e+00 9.610764998e+00 1.311878510e+01 1.311257492e+01 4.965226296e-01 3.309161755e+00 1.072322889e+01 1.498081386e-01 3.418863861e+00 2.58 1.213840472e+01 2.446330980e+00 8.797905829e+00 1.213325496e+01 1.212811136e+01 2.935749511e-01 2.842287132e+00 9.848897719e+00 -6.420585893e-02 2.949553136e+00 2.60 1.120433907e+01 2.036606047e+00 8.032696127e+00 1.120037428e+01 1.119641352e+01 1.050258667e-01 2.407370455e+00 9.023243934e+00 -2.606823464e-01 2.511273775e+00 2.62 1.032050259e+01 1.656601996e+00 7.312023753e+00 1.031774153e+01 1.031498289e+01 -7.124956473e-02 2.002359053e+00 8.244055143e+00 -4.409109391e-01 2.102118609e+00 2.64 9.484660042e+00 1.304726251e+00 6.632727549e+00 9.483015837e+00 9.481372899e+00 -2.373366092e-01 1.625271153e+00 7.509213823e+00 -6.060726018e-01 1.720530550e+00 2.66 8.694667648e+00 9.794536264e-01 5.991794900e+00 8.693954060e+00 8.693240874e+00 -3.949613650e-01 1.274271227e+00 6.816693871e+00 -7.571910649e-01 1.365030257e+00 2.68 7.948471739e+00 6.793264605e-01 5.386633495e+00 7.948435276e+00 7.948398636e+00 -5.451860609e-01 9.477595427e-01 6.164556347e+00 -8.951253457e-01 1.034213929e+00 2.70 7.244108511e+00 4.029506061e-01 4.815321292e+00 7.244484216e+00 7.244859428e+00 -6.882417680e-01 6.448293195e-01 5.550945709e+00 -1.020607638e+00 7.267525012e-01 2.72 6.579694961e+00 1.489928850e-01 4.276869449e+00 6.580285189e+00 6.580874790e+00 -8.233949434e-01 3.631219167e-01 4.974082365e+00 -1.133958410e+00 4.413844236e-01 2.74 5.953429419e+00 -8.381979590e-02 3.769284710e+00 5.954011357e+00 5.954592674e+00 -9.512295095e-01 1.030107450e-01 4.432259706e+00 -1.236843709e+00 1.769161115e-01 2.76 5.363588132e+00 -2.967037540e-01 3.293479151e+00 5.364163210e+00 5.364737690e+00 -1.069070002e+00 -1.367334715e-01 3.923836721e+00 -1.328727945e+00 -6.778203722e-02 2.78 4.808519328e+00 -4.908208714e-01 2.847909763e+00 4.809087514e+00 4.809655105e+00 -1.177368715e+00 -3.572113378e-01 3.447228735e+00 -1.410566280e+00 -2.937788720e-01 2.80 4.286645236e+00 -6.672792933e-01 2.431128620e+00 4.287206572e+00 4.287767306e+00 -1.276582724e+00 -5.594715170e-01 3.000907754e+00 -1.483133416e+00 -5.020836676e-01 2.82 3.796453926e+00 -8.271362256e-01 2.041743841e+00 3.797008468e+00 3.797562433e+00 -1.367152823e+00 -7.445212547e-01 2.583393418e+00 -1.547238772e+00 -6.936511693e-01 2.84 3.336496575e+00 -9.713997028e-01 1.678418260e+00 3.337044397e+00 3.337591676e+00 -1.449503601e+00 -9.133342647e-01 2.193255291e+00 -1.603700402e+00 -8.693852210e-01 2.86 2.905383978e+00 -1.101029904e+00 1.339868805e+00 2.905925218e+00 2.906465916e+00 -1.524043535e+00 -1.066858851e+00 1.829117390e+00 -1.653292158e+00 -1.030142849e+00 2.88 2.501778536e+00 -1.216941310e+00 1.024863098e+00 2.502313360e+00 2.502847636e+00 -1.591166046e+00 -1.206023165e+00 1.489661575e+00 -1.696677919e+00 -1.176740820e+00 2.90 2.124388134e+00 -1.320003806e+00 7.322183801e-01 2.124916637e+00 2.125444612e+00 -1.651249898e+00 -1.331735080e+00 1.173631273e+00 -1.734364341e+00 -1.309962058e+00 2.92 1.771958357e+00 -1.411044365e+00 4.608001100e-01 1.772480546e+00 1.773002223e+00 -1.704659301e+00 -1.444876659e+00 8.798273601e-01 -1.766705684e+00 -1.430562284e+00 2.94 1.443262545e+00 -1.490848700e+00 2.095191101e-01 1.443778292e+00 1.444293545e+00 -1.751745153e+00 -1.546296970e+00 6.071053881e-01 -1.793960290e+00 -1.539276658e+00 2.96 1.137096587e+00 -1.560162149e+00 -2.266952602e-02 1.137605563e+00 1.138114061e+00 -1.792845155e+00 -1.636807176e+00 3.544199256e-01 -1.816349364e+00 -1.636821609e+00 2.98 8.522793240e-01 -1.619691328e+00 -2.367667263e-01 8.527809871e-01 8.532821659e-01 -1.828283723e+00 -1.717180744e+00 1.205472601e-01 -1.834114682e+00 -1.723891101e+00 3.00 5.876567591e-01 -1.670104902e+00 -4.337326807e-01 5.881503154e-01 5.886433850e-01 -1.858372979e+00 -1.788151114e+00 -9.531960563e-02 -1.847482832e+00 -1.801148333e+00 3.02 3.421173784e-01 -1.712035014e+00 -6.144877902e-01 3.426018175e-01 3.430857866e-01 -1.883413400e+00 -1.850393936e+00 -2.942050469e-01 -1.856502026e+00 -1.869214620e+00 3.04 1.146121736e-01 -1.746077884e+00 -7.799127700e-01 1.150864241e-01 1.155602233e-01 -1.903693095e+00 -1.904503826e+00 -4.770451092e-01 -1.861450903e+00 -1.928662469e+00 3.06 -9.583618292e-02 -1.772795089e+00 -9.308517103e-01 -9.537307513e-02 -9.491040383e-02 -1.919489324e+00 -1.951064414e+00 -6.447138247e-01 -1.862591570e+00 -1.980027548e+00 3.08 -2.901360450e-01 -1.792714191e+00 -1.068112856e+00 -2.896847674e-01 -2.892339140e-01 -1.931068506e+00 -1.990352778e+00 -7.980305304e-01 -1.860169489e+00 -2.023836326e+00 3.10 -4.691414614e-01 -1.806329371e+00 -1.192468620e+00 -4.687023714e-01 -4.682636946e-01 -1.938686033e+00 -2.022827734e+00 -9.377769694e-01 -1.854413415e+00 -2.060633894e+00 3.12 -6.336672774e-01 -1.814102117e+00 -1.304658298e+00 -6.332404446e-01 -6.328140142e-01 -1.942587227e+00 -2.048926240e+00 -1.064711850e+00 -1.845536071e+00 -2.090984879e+00 3.14 -7.843599892e-01 -1.816462137e+00 -1.405388729e+00 -7.839453079e-01 -7.835310183e-01 -1.943007507e+00 -2.069064363e+00 -1.179484738e+00 -1.833734339e+00 -2.115181417e+00 3.16 -9.223708356e-01 -1.813807834e+00 -1.495334646e+00 -9.219680985e-01 -9.215657417e-01 -1.940172359e+00 -2.083638133e+00 -1.283061004e+00 -1.819189463e+00 -2.134479717e+00 3.18 -1.047909619e+00 -1.806507031e+00 -1.575140799e+00 -1.047518578e+00 -1.047127907e+00 -1.934298062e+00 -2.093025290e+00 -1.375809215e+00 -1.802068183e+00 -2.148465382e+00 3.20 -1.161748782e+00 -1.794898304e+00 -1.645422320e+00 -1.161369174e+00 -1.160989924e+00 -1.925591722e+00 -2.097586789e+00 -1.458426369e+00 -1.782523654e+00 -2.157696239e+00 3.22 -1.264531694e+00 -1.779292389e+00 -1.706765647e+00 -1.264163258e+00 -1.263795171e+00 -1.914251547e+00 -2.097668485e+00 -1.531508767e+00 -1.760697302e+00 -2.162477411e+00 3.24 -1.356875767e+00 -1.759974108e+00 -1.759729920e+00 -1.356518248e+00 -1.356161067e+00 -1.900467189e+00 -2.093603638e+00 -1.595627375e+00 -1.736721578e+00 -2.163101140e+00 3.26 -1.439373143e+00 -1.737206017e+00 -1.804847518e+00 -1.439026289e+00 -1.438679762e+00 -1.884419920e+00 -2.085714998e+00 -1.651328171e+00 -1.710723895e+00 -2.159847071e+00 3.28 -1.512591520e+00 -1.711232542e+00 -1.842625005e+00 -1.512255083e+00 -1.511918963e+00 -1.866282946e+00 -2.074317057e+00 -1.699133390e+00 -1.682832337e+00 -2.152982721e+00 3.30 -1.577074911e+00 -1.682286646e+00 -1.873544282e+00 -1.576748646e+00 -1.576422689e+00 -1.846221583e+00 -2.059717458e+00 -1.739541769e+00 -1.653183173e+00 -2.142763764e+00 3.32 -1.633344185e+00 -1.650598158e+00 -1.898063259e+00 -1.633027852e+00 -1.632711817e+00 -1.824393480e+00 -2.042216782e+00 -1.773029456e+00 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