# 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 = 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 2.00 3.774729029e+01 1.503278199e+01 3.059587496e+01 3.773712443e+01 3.772672854e+01 1.021245620e+01 1.779924219e+01 3.261428006e+01 9.613089950e+00 1.892311631e+01 2.02 3.505569358e+01 1.368434197e+01 2.830452569e+01 3.504571156e+01 3.503550976e+01 9.404907665e+00 1.634537623e+01 3.020550905e+01 8.772655931e+00 1.745110795e+01 2.04 3.253502885e+01 1.243432096e+01 2.616299287e+01 3.252527083e+01 3.251530360e+01 8.652082861e+00 1.499452316e+01 2.795353331e+01 7.995105830e+00 1.608033759e+01 2.06 3.017466250e+01 1.127618781e+01 2.416181128e+01 3.016509024e+01 3.015531916e+01 7.950319031e+00 1.373956238e+01 2.584879252e+01 7.275918927e+00 1.480417221e+01 2.08 2.796489445e+01 1.020395369e+01 2.229236287e+01 2.795534801e+01 2.794561107e+01 7.296219973e+00 1.257348045e+01 2.388233407e+01 6.610903416e+00 1.361672304e+01 2.10 2.589687079e+01 9.212126996e+00 2.054681914e+01 2.588703822e+01 2.587701990e+01 6.686613891e+00 1.149032320e+01 2.204511966e+01 5.996165462e+00 1.251279284e+01 2.12 2.396235545e+01 8.295604689e+00 1.891795917e+01 2.395179587e+01 2.394104974e+01 6.118506205e+00 1.048448101e+01 2.032920754e+01 5.428077797e+00 1.148762158e+01 2.14 2.215357062e+01 7.449609456e+00 1.739898698e+01 2.214177917e+01 2.212979379e+01 5.589033199e+00 9.550906165e+00 1.872657398e+01 4.903252486e+00 1.053651022e+01 2.16 2.046192815e+01 6.669037856e+00 1.598264214e+01 2.044871960e+01 2.043530491e+01 5.095427427e+00 8.685030613e+00 1.722983853e+01 4.418522317e+00 9.654029810e+00 2.18 1.888024501e+01 5.949581057e+00 1.466266904e+01 1.886557820e+01 1.885069204e+01 4.635021224e+00 7.882721677e+00 1.583238301e+01 3.970935814e+00 8.835218552e+00 2.20 1.740080265e+01 5.286701240e+00 1.343246944e+01 1.738505760e+01 1.736908442e+01 4.205312806e+00 7.140139842e+00 1.452765851e+01 3.557770538e+00 8.074655451e+00 2.22 1.601716841e+01 4.676488336e+00 1.228646768e+01 1.600089925e+01 1.598440001e+01 3.804092419e+00 6.453570754e+00 1.330985279e+01 3.176585015e+00 7.368239787e+00 2.24 1.472350094e+01 4.115337378e+00 1.121972249e+01 1.470734307e+01 1.469096039e+01 3.429736892e+00 5.818953115e+00 1.217360557e+01 2.825031428e+00 6.712378201e+00 2.26 1.351433138e+01 3.599845509e+00 1.022614485e+01 1.349854880e+01 1.348255206e+01 3.080336311e+00 5.232657490e+00 1.111391158e+01 2.501144857e+00 6.103723980e+00 2.28 1.238453422e+01 3.126815331e+00 9.301824307e+00 1.236944425e+01 1.235415396e+01 2.755115455e+00 4.690812816e+00 1.012610034e+01 2.203011938e+00 5.539155968e+00 2.30 1.132930970e+01 2.693365137e+00 8.441877495e+00 1.131490550e+01 1.130031474e+01 2.452932050e+00 4.190287325e+00 9.205823164e+00 1.928762696e+00 5.015759067e+00 2.32 1.034416630e+01 2.296458489e+00 7.642306859e+00 1.033042319e+01 1.031650707e+01 2.172403224e+00 3.728292246e+00 8.349030912e+00 1.676686759e+00 4.530801940e+00 2.34 9.424909495e+00 1.933806131e+00 6.899404800e+00 9.411806242e+00 9.398543052e+00 1.912217443e+00 3.302224083e+00 7.551945029e+00 1.445144583e+00 4.081713956e+00 2.36 8.567628683e+00 1.602922679e+00 6.209688047e+00 8.555142948e+00 8.542509576e+00 1.671153502e+00 2.909652703e+00 6.811016243e+00 1.232612354e+00 3.666057199e+00 2.38 7.768692469e+00 1.301606453e+00 5.569886877e+00 7.756795321e+00 7.744761875e+00 1.448074962e+00 2.548311084e+00 6.122977788e+00 1.037803943e+00 3.281504009e+00 2.40 7.024727865e+00 1.027510193e+00 4.976928581e+00 7.013378716e+00 7.001903304e+00 1.241920011e+00 2.216082258e+00 5.484309720e+00 8.593494394e-01 2.925819522e+00 2.42 6.332590827e+00 7.788857380e-01 4.427926338e+00 6.321734788e+00 6.310760934e+00 1.051692568e+00 1.910990025e+00 4.892245166e+00 6.963638262e-01 2.596868959e+00 2.44 5.689308288e+00 5.538628384e-01 3.920165976e+00 5.678879055e+00 5.668338786e+00 8.764493856e-01 1.631186816e+00 4.343722173e+00 5.478889077e-01 2.292656085e+00 2.46 5.091998286e+00 3.506722346e-01 3.451089138e+00 5.081928855e+00 5.071753655e+00 7.152825440e-01 1.374940997e+00 3.836068541e+00 4.129643702e-01 2.011386905e+00 2.48 4.538061248e+00 1.677164975e-01 3.018276059e+00 4.528268687e+00 4.518374475e+00 5.672989940e-01 1.140622345e+00 3.366336156e+00 2.906363272e-01 1.751623858e+00 2.50 4.023955450e+00 3.455964082e-03 2.619427942e+00 4.014477368e+00 4.004901097e+00 4.315999898e-01 9.266889344e-01 2.932366118e+00 1.799813885e-01 1.511795444e+00 2.52 3.547810897e+00 -1.434135196e-01 2.252340688e+00 3.538612693e+00 3.529319419e+00 3.072617072e-01 7.316717319e-01 2.531743138e+00 8.008555167e-02 1.290965350e+00 2.54 3.106849840e+00 -2.741355034e-01 1.914885668e+00 3.097952107e+00 3.088962650e+00 1.933330145e-01 5.541665587e-01 2.162394587e+00 -9.968751645e-03 1.088082119e+00 2.56 2.698920050e+00 -3.899491529e-01 1.604999002e+00 2.690334390e+00 2.681660519e+00 8.885999860e-02 3.928377929e-01 1.822368257e+00 -9.109825741e-02 9.019568276e-01 2.58 2.322010986e+00 -4.920184741e-01 1.320693006e+00 2.313734820e+00 2.305373976e+00 -7.058115036e-03 2.464370717e-01 1.509824980e+00 -1.641863548e-01 7.314711038e-01 2.60 1.974226184e+00 -5.814323555e-01 1.060100104e+00 1.966242956e+00 1.958178424e+00 -9.518954349e-02 1.138383742e-01 1.223031580e+00 -2.300162847e-01 5.755838267e-01 2.62 1.653775510e+00 -6.592093911e-01 8.218108507e-01 1.646081222e+00 1.638308704e+00 -1.758301849e-01 -5.880518176e-03 9.603567193e-01 -2.891908008e-01 4.333265795e-01 2.64 1.358971465e+00 -7.263012644e-01 6.036118885e-01 1.351499780e+00 1.343952606e+00 -2.500642366e-01 -1.136852493e-01 7.202634716e-01 -3.420314083e-01 3.038009809e-01 2.66 1.088223568e+00 -7.835968294e-01 4.048458622e-01 1.080963200e+00 1.073629800e+00 -3.175149854e-01 -2.102035296e-01 5.013044900e-01 -3.889067218e-01 1.861751364e-01 2.68 8.400322337e-01 -8.319258972e-01 2.243119214e-01 8.329756075e-01 8.258482518e-01 -3.783656047e-01 -2.960592612e-01 3.021141260e-01 -4.298775088e-01 7.968011997e-02 2.70 6.129861373e-01 -8.720619709e-01 6.087017723e-02 6.061300697e-01 5.992055270e-01 -4.328353937e-01 -3.719649931e-01 1.214027519e-01 -4.650458280e-01 -1.639195004e-02 2.72 4.057560374e-01 -9.047260651e-01 -8.665646165e-02 3.990971689e-01 3.923720342e-01 -4.813475859e-01 -4.386053519e-01 -4.205229697e-02 -4.948709641e-01 -1.026919510e-01 2.74 2.170921582e-01 -9.305894684e-01 -2.193764652e-01 2.106269887e-01 2.040977181e-01 -5.243022069e-01 -4.966336155e-01 -1.894138443e-01 -5.198479533e-01 -1.798163670e-01 2.76 4.581841334e-02 -9.502764545e-01 -3.383339904e-01 3.954334908e-02 3.320630671e-02 -5.620777807e-01 -5.466888395e-01 -3.217932644e-01 -5.405272426e-01 -2.483126905e-01 2.78 -1.091717607e-01 -9.643674437e-01 -4.445119217e-01 -1.152603431e-01 -1.214088253e-01 -5.950321242e-01 -5.894156614e-01 -4.402547465e-01 -5.575215637e-01 -3.086855555e-01 2.80 -2.489210475e-01 -9.734008791e-01 -5.388353213e-01 -2.548267169e-01 -2.607902542e-01 -6.235033774e-01 -6.254864028e-01 -5.458148363e-01 -5.714875705e-01 -3.614063523e-01 2.82 -3.744153773e-01 -9.778762551e-01 -6.221739774e-01 -3.801415373e-01 -3.859235801e-01 -6.478111001e-01 -6.556188776e-01 -6.394334148e-01 -5.830703049e-01 -4.069270199e-01 2.84 -4.865922895e-01 -9.782560069e-01 -6.953457118e-01 -4.921420473e-01 -4.977457494e-01 -6.682570204e-01 -6.805812731e-01 -7.219992631e-01 -5.928105473e-01 -4.456994793e-01 2.86 -5.863523048e-01 -9.749677819e-01 -7.591188982e-01 -5.917283314e-01 -5.971564037e-01 -6.851260629e-01 -7.011706746e-01 -7.942844970e-01 -6.010420689e-01 -4.782015923e-01 2.88 -6.745721745e-01 -9.684064442e-01 -8.142151308e-01 -6.797765861e-01 -6.850311798e-01 -6.986870996e-01 -7.181556532e-01 -8.571163711e-01 -6.077773647e-01 -5.049688303e-01 2.90 -7.521195233e-01 -9.589359360e-01 -8.613114700e-01 -7.571538458e-01 -7.622365191e-01 -7.091937384e-01 -7.321847054e-01 -9.111300505e-01 -6.130409427e-01 -5.266270899e-01 2.92 -8.198666002e-01 -9.468909846e-01 -9.010430028e-01 -8.247318927e-01 -8.296437381e-01 -7.168851118e-01 -7.436876782e-01 -9.569871927e-01 -6.166797541e-01 -5.439177219e-01 2.94 -8.786968772e-01 -9.325788528e-01 -9.340048383e-01 -8.833940838e-01 -8.881360838e-01 -7.219866189e-01 -7.527412002e-01 -9.954125712e-01 -6.182256121e-01 -5.576980082e-01 2.96 -9.294970321e-01 -9.162809073e-01 -9.607542946e-01 -9.340275563e-01 -9.386011629e-01 -7.247104982e-01 -7.595209414e-01 -1.027164205e+00 -6.178612811e-01 -5.688978555e-01 2.98 -9.731266069e-01 -8.982537760e-01 -9.818127089e-01 -9.774929597e-01 -9.819007436e-01 -7.252566043e-01 -7.638838747e-01 -1.052972623e+00 -6.157616000e-01 -5.784189517e-01 3.00 -1.010363308e+00 -8.787309499e-01 -9.976674554e-01 -1.014569520e+00 -1.018815582e+00 -7.238128639e-01 -7.654297188e-01 -1.073500370e+00 -6.120891383e-01 -5.869834903e-01 3.02 -1.041839120e+00 -8.579239335e-01 -1.008773515e+00 -1.045890614e+00 -1.049980457e+00 -7.205560639e-01 -7.643768996e-01 -1.089294307e+00 -6.069950657e-01 -5.949770327e-01 3.04 -1.067927457e+00 -8.360232861e-01 -1.015555323e+00 -1.071830559e+00 -1.075770578e+00 -7.156523256e-01 -7.609558026e-01 -1.100706667e+00 -6.006196668e-01 -6.022201173e-01 3.06 -1.089113045e+00 -8.131997446e-01 -1.018408164e+00 -1.092873342e+00 -1.096669202e+00 -7.092575601e-01 -7.553777673e-01 -1.108148898e+00 -5.930928847e-01 -6.087461329e-01 3.08 -1.105548580e+00 -7.896054035e-01 -1.017699442e+00 -1.109171962e+00 -1.112829612e+00 -7.015181208e-01 -7.478362709e-01 -1.111806168e+00 -5.845350308e-01 -6.140555709e-01 3.10 -1.117251483e+00 -7.653745208e-01 -1.013770444e+00 -1.120742247e+00 -1.124266024e+00 -6.925712033e-01 -7.385078820e-01 -1.111739841e+00 -5.750571320e-01 -6.172029749e-01 3.12 -1.124574025e+00 -7.406247967e-01 -1.006937222e+00 -1.127936170e+00 -1.131330113e+00 -6.825453754e-01 -7.275537738e-01 -1.108261695e+00 -5.647623191e-01 -6.182342240e-01 3.14 -1.127899811e+00 -7.154585003e-01 -9.974916966e-01 -1.131137246e+00 -1.134405299e+00 -6.715608506e-01 -7.151212735e-01 -1.101703430e+00 -5.535363163e-01 -6.173399438e-01 3.16 -1.127588767e+00 -6.899642797e-01 -9.857030646e-01 -1.130705309e+00 -1.133851325e+00 -6.597302232e-01 -7.013465587e-01 -1.092374847e+00 -5.413457621e-01 -6.146990385e-01 3.18 -1.123977706e+00 -6.642187292e-01 -9.718184313e-01 -1.126977083e+00 -1.130004826e+00 -6.471585715e-01 -6.863575359e-01 -1.080564756e+00 -5.286413805e-01 -6.104789429e-01 3.20 -1.117381897e+00 -6.382895093e-01 -9.560637277e-01 -1.120267751e+00 -1.123180897e+00 -6.339440108e-01 -6.702783058e-01 -1.066542059e+00 -5.154815049e-01 -6.048364249e-01 3.22 -1.108096025e+00 -6.122385033e-01 -9.386445857e-01 -1.110871910e+00 -1.113674046e+00 -6.201779897e-01 -6.532346485e-01 -1.050557107e+00 -5.019387101e-01 -5.979180659e-01 3.24 -1.096395267e+00 -5.861266344e-01 -9.197468951e-01 -1.099064652e+00 -1.101759282e+00 -6.059456530e-01 -6.353608127e-01 -1.032842349e+00 -4.880857540e-01 -5.898607939e-01 3.26 -1.082536278e+00 -5.600197410e-01 -8.995374346e-01 -1.085102548e+00 -1.087693088e+00 -5.913261355e-01 -6.168071304e-01 -1.013613435e+00 -4.739981085e-01 -5.807923788e-01 3.28 -1.066758379e+00 -5.339955752e-01 -8.781646460e-01 -1.069224837e+00 -1.071714620e+00 -5.763929544e-01 -5.977474718e-01 -9.930702957e-01 -4.597565126e-01 -5.708320207e-01 3.30 -1.049284060e+00 -5.081512557e-01 -8.557589462e-01 -1.051653926e+00 -1.054046204e+00 -5.612141566e-01 -5.783837545e-01 -9.713976975e-01 -4.454486938e-01 -5.600905952e-01 3.32 -1.030320364e+00 -4.826096839e-01 -8.324336199e-01 -1.032596779e+00 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