# 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 = Cd3Te # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 2.00 2.324440088e+01 4.299795182e+01 5.171632350e+01 2.02 2.147827670e+01 4.019476133e+01 4.848726474e+01 2.04 1.982626367e+01 3.755685112e+01 4.544517976e+01 2.06 1.828146493e+01 3.507435013e+01 4.257907367e+01 2.08 1.683741724e+01 3.273805279e+01 3.987870582e+01 2.10 1.548802075e+01 3.053936459e+01 3.733449131e+01 2.12 1.422747259e+01 2.847024526e+01 3.493737151e+01 2.14 1.305030180e+01 2.652322138e+01 3.267883502e+01 2.16 1.195096788e+01 2.469098840e+01 3.055002848e+01 2.18 1.092458001e+01 2.296707586e+01 2.854340527e+01 2.20 9.966430847e+00 2.134517610e+01 2.665143859e+01 2.22 9.072359107e+00 1.981942946e+01 2.486755302e+01 2.24 8.238399882e+00 1.838450276e+01 2.318549427e+01 2.26 7.461201691e+00 1.703477388e+01 2.160018003e+01 2.28 6.737304155e+00 1.576590106e+01 2.010623069e+01 2.30 6.063563172e+00 1.457329946e+01 1.869861954e+01 2.32 5.436686023e+00 1.345279031e+01 1.737261625e+01 2.34 4.854141079e+00 1.240046132e+01 1.612376711e+01 2.36 4.313235904e+00 1.141263237e+01 1.494787533e+01 2.38 3.811510811e+00 1.048582777e+01 1.384098229e+01 2.40 3.346657942e+00 9.616749637e+00 1.279934896e+01 2.42 2.916505641e+00 8.802259215e+00 1.181943797e+01 2.44 2.518994423e+00 8.039367505e+00 1.089789610e+01 2.46 2.152144512e+00 7.325271122e+00 1.003154039e+01 2.48 1.814022293e+00 6.657248826e+00 9.217479746e+00 2.50 1.502726241e+00 6.032747998e+00 8.452496077e+00 2.52 1.216417247e+00 5.449365529e+00 7.734282405e+00 2.54 9.533936550e-01 4.904796578e+00 7.060235219e+00 2.56 7.122613914e-01 4.396849187e+00 6.427997471e+00 2.58 4.913687724e-01 3.923485803e+00 5.835348633e+00 2.60 2.899212584e-01 3.482638499e+00 5.280195014e+00 2.62 1.066712665e-01 3.072626586e+00 4.760564485e+00 2.64 -5.953200233e-02 2.691048165e+00 4.274600771e+00 2.66 -2.098046568e-01 2.336515497e+00 3.820556465e+00 2.68 -3.452309317e-01 2.007218595e+00 3.396783019e+00 2.70 -4.668691300e-01 1.701532419e+00 3.001717817e+00 2.72 -5.757082615e-01 1.418122209e+00 2.633867573e+00 2.74 -6.726597522e-01 1.155541821e+00 2.291789626e+00 2.76 -7.586634402e-01 9.129848645e-01 1.974075714e+00 2.78 -8.344897225e-01 6.892703387e-01 1.679342638e+00 2.80 -9.008655705e-01 4.832987288e-01 1.406237113e+00 2.82 -9.584765928e-01 2.940249502e-01 1.153446460e+00 2.84 -1.007969098e+00 1.204557807e-01 9.197887717e-01 2.86 -1.049951982e+00 -3.835252757e-02 7.040346657e-01 2.88 -1.084998549e+00 -1.832962951e-01 5.050991127e-01 2.90 -1.113648263e+00 -3.152267723e-01 3.220211974e-01 2.92 -1.136408371e+00 -4.349519619e-01 1.538860131e-01 2.94 -1.153755465e+00 -5.432387210e-01 -1.765633626e-04 2.96 -1.166136978e+00 -6.408145382e-01 -1.409924583e-01 2.98 -1.173972573e+00 -7.283693077e-01 -2.693453179e-01 3.00 -1.177655501e+00 -8.065570560e-01 -3.859816086e-01 3.02 -1.177553857e+00 -8.759974995e-01 -4.916192848e-01 3.04 -1.174011826e+00 -9.372775903e-01 -5.869095549e-01 3.06 -1.167350823e+00 -9.909530532e-01 -6.726781364e-01 3.08 -1.157870638e+00 -1.037549738e+00 -7.494783443e-01 3.10 -1.145850549e+00 -1.077564984e+00 -8.179554657e-01 3.12 -1.131550433e+00 -1.111468919e+00 -8.787029492e-01 3.14 -1.115211892e+00 -1.139705677e+00 -9.322134694e-01 3.16 -1.097059483e+00 -1.162694589e+00 -9.790810961e-01 3.18 -1.077302003e+00 -1.180831300e+00 -1.019584016e+00 3.20 -1.056134002e+00 -1.194488868e+00 -1.054174301e+00 3.22 -1.033737468e+00 -1.204018783e+00 -1.083265945e+00 3.24 -1.010283785e+00 -1.209751954e+00 -1.107251291e+00 3.26 -9.859359150e-01 -1.211999674e+00 -1.126501966e+00 3.28 -9.608507261e-01 -1.211054524e+00 -1.141369740e+00 3.30 -9.351811200e-01 -1.207191262e+00 -1.152187374e+00 3.32 -9.090775253e-01 -1.200667678e+00 -1.159269432e+00 3.34 -8.826878832e-01 -1.191725436e+00 -1.162913054e+00 3.36 -8.561553131e-01 -1.180590901e+00 -1.163398694e+00 3.38 -8.296128263e-01 -1.167475980e+00 -1.160990869e+00 3.40 -8.031753937e-01 -1.152578964e+00 -1.155938814e+00 3.42 -7.769315673e-01 -1.136085414e+00 -1.148477161e+00 3.44 -7.509384123e-01 -1.118169077e+00 -1.138826580e+00 3.46 -7.252238770e-01 -1.098992855e+00 -1.127194378e+00 3.48 -6.997975288e-01 -1.078709794e+00 -1.113775077e+00 3.50 -6.745494634e-01 -1.057464086e+00 -1.098750995e+00 3.52 -6.498060773e-01 -1.035391980e+00 -1.082292753e+00 3.54 -6.253409237e-01 -1.012622503e+00 -1.064559800e+00 3.56 -6.011968771e-01 -9.892778051e-01 -1.045700894e+00 3.58 -5.774225053e-01 -9.654730119e-01 -1.025854557e+00 3.60 -5.540378846e-01 -9.413154594e-01 -1.005149529e+00 3.62 -5.310586374e-01 -9.169034131e-01 -9.837051684e-01 3.64 -5.084961722e-01 -8.923246700e-01 -9.616318462e-01 3.66 -4.863578833e-01 -8.676555330e-01 -9.390313376e-01 3.68 -4.646473973e-01 -8.429606606e-01 -9.159971584e-01 3.70 -4.433647860e-01 -8.182939361e-01 -8.926149105e-01 3.72 -4.225068102e-01 -7.936600389e-01 -8.689626055e-01 3.74 -4.020671737e-01 -7.692064756e-01 -8.451109739e-01 3.76 -3.820368058e-01 -7.448799551e-01 -8.211237793e-01 3.78 -3.624041878e-01 -7.207166061e-01 -7.970581333e-01 3.80 -3.431557126e-01 -6.967462676e-01 -7.729648111e-01 3.82 -3.242761266e-01 -6.729996724e-01 -7.488886229e-01 3.84 -3.057490451e-01 -6.495041182e-01 -7.248688025e-01 3.86 -2.875575734e-01 -6.262839103e-01 -7.009394966e-01 3.88 -2.696850505e-01 -6.033608058e-01 -6.771303419e-01 3.90 -2.521159454e-01 -5.807545222e-01 -6.534671970e-01 3.92 -2.348369236e-01 -5.584832809e-01 -6.299730604e-01 3.94 -2.178381101e-01 -5.365644144e-01 -6.066692146e-01 3.96 -2.011145638e-01 -5.150150635e-01 -5.835766747e-01 3.98 -1.846679648e-01 -4.938529382e-01 -5.607179167e-01 4.00 -1.685084955e-01 -4.730971624e-01 -5.381188764e-01 4.02 -1.526568628e-01 -4.527691736e-01 -5.158111541e-01 4.04 -1.371463536e-01 -4.328935815e-01 -4.938341275e-01 4.06 -1.220247450e-01 -4.134988446e-01 -4.722366385e-01 4.08 -1.073558028e-01 -3.946174321e-01 -4.510775545e-01 4.10 -9.321997750e-02 -3.762850702e-01 -4.304244538e-01 4.12 -7.971379935e-02 -3.585384597e-01 -4.103495009e-01 4.14 -6.694737496e-02 -3.414110536e-01 -3.909220211e-01 4.16 -5.503937419e-02 -3.249267498e-01 -3.721979416e-01 4.18 -4.410909163e-02 -3.090924237e-01 -3.542078609e-01 4.20 -3.426579229e-02 -2.938858966e-01 -3.369470884e-01 4.22 -2.559711926e-02 -2.792799502e-01 -3.203718921e-01 4.24 -1.816142380e-02 -2.651957988e-01 -3.044053279e-01 4.26 -1.199208340e-02 -2.515579847e-01 -2.889523676e-01 4.28 -6.812498926e-03 -2.381770154e-01 -2.737237487e-01 4.30 -3.510556079e-03 -2.253055860e-01 -2.591565127e-01 4.32 5.360046175e-05 -2.126656476e-01 -2.448159557e-01 4.34 2.545284161e-05 -2.002522324e-01 -2.307011624e-01 4.36 9.570513127e-06 -1.880639663e-01 -2.168156820e-01 4.38 7.869207777e-07 -1.761017214e-01 -2.031655146e-01 4.40 0.000000000e+00 -1.643608811e-01 -1.897474964e-01 4.42 0.000000000e+00 -1.528395884e-01 -1.765615252e-01 4.44 0.000000000e+00 -1.415393263e-01 -1.636112541e-01 4.46 0.000000000e+00 -1.304655156e-01 -1.509048072e-01 4.48 0.000000000e+00 -1.196281094e-01 -1.384554946e-01 4.50 0.000000000e+00 -1.090421469e-01 -1.262824829e-01 4.52 0.000000000e+00 -9.872820839e-02 -1.144113564e-01 4.54 0.000000000e+00 -8.871271141e-02 -1.028744991e-01 4.56 0.000000000e+00 -7.902795233e-02 -9.171119085e-02 4.58 0.000000000e+00 -6.971180051e-02 -8.096730942e-02 4.60 0.000000000e+00 -6.080692186e-02 -7.069450157e-02 4.62 0.000000000e+00 -5.235942046e-02 -6.094869224e-02 4.64 0.000000000e+00 -4.441679478e-02 -5.178780587e-02 4.66 0.000000000e+00 -3.702516365e-02 -4.326861590e-02 4.68 0.000000000e+00 -3.022585218e-02 -3.544272379e-02 4.70 0.000000000e+00 -2.405177482e-02 -2.835187020e-02 4.72 0.000000000e+00 -1.852486173e-02 -2.202323436e-02 4.74 0.000000000e+00 -1.365764704e-02 -1.646659479e-02 4.76 0.000000000e+00 -9.465072410e-03 -1.167812181e-02 4.78 0.000000000e+00 -5.991010165e-03 -7.660189086e-03 4.80 0.000000000e+00 -3.326570595e-03 -4.460632399e-03 4.82 0.000000000e+00 -1.546987808e-03 -2.178952246e-03 4.84 0.000000000e+00 2.551395473e-05 3.828505641e-05 4.86 0.000000000e+00 1.264844911e-05 1.897379249e-05 4.88 0.000000000e+00 4.612654695e-06 6.919006642e-06 4.90 0.000000000e+00 7.593686627e-18 9.049809660e-18 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00