# 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 = 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 4.299794968e+01 5.171632056e+01 2.02 2.147827682e+01 4.019475956e+01 4.848726212e+01 2.04 1.982626417e+01 3.755684986e+01 4.544517773e+01 2.06 1.828146528e+01 3.507434799e+01 4.257907030e+01 2.08 1.683741772e+01 3.273805235e+01 3.987870469e+01 2.10 1.548802132e+01 3.053936355e+01 3.733448928e+01 2.12 1.422747317e+01 2.847024490e+01 3.493737050e+01 2.14 1.305030295e+01 2.652322114e+01 3.267883429e+01 2.16 1.195096856e+01 2.469098824e+01 3.055002790e+01 2.18 1.092458079e+01 2.296707601e+01 2.854340502e+01 2.20 9.966431832e+00 2.134517632e+01 2.665143855e+01 2.22 9.072360083e+00 1.981942997e+01 2.486755330e+01 2.24 8.238400835e+00 1.838450343e+01 2.318549463e+01 2.26 7.461202492e+00 1.703477450e+01 2.160018045e+01 2.28 6.737305094e+00 1.576590182e+01 2.010623132e+01 2.30 6.063564062e+00 1.457330024e+01 1.869862027e+01 2.32 5.436687011e+00 1.345279118e+01 1.737261694e+01 2.34 4.854142006e+00 1.240046227e+01 1.612376808e+01 2.36 4.313236717e+00 1.141263313e+01 1.494787612e+01 2.38 3.811511673e+00 1.048582877e+01 1.384098330e+01 2.40 3.346658762e+00 9.616750617e+00 1.279935013e+01 2.42 2.916506208e+00 8.802260019e+00 1.181943880e+01 2.44 2.518995317e+00 8.039368461e+00 1.089789711e+01 2.46 2.152145076e+00 7.325272323e+00 1.003154178e+01 2.48 1.814022634e+00 6.657249758e+00 9.217480863e+00 2.50 1.502726822e+00 6.032748921e+00 8.452497184e+00 2.52 1.216417979e+00 5.449366416e+00 7.734283617e+00 2.54 9.533941482e-01 4.904797364e+00 7.060236197e+00 2.56 7.122617872e-01 4.396849988e+00 6.427998454e+00 2.58 4.913692733e-01 3.923486619e+00 5.835349479e+00 2.60 2.899216236e-01 3.482639346e+00 5.280195966e+00 2.62 1.066716684e-01 3.072627243e+00 4.760565221e+00 2.64 -5.953149293e-02 2.691048762e+00 4.274601453e+00 2.66 -2.098041847e-01 2.336516379e+00 3.820557495e+00 2.68 -3.452307636e-01 2.007219370e+00 3.396783941e+00 2.70 -4.668689168e-01 1.701533083e+00 3.001718627e+00 2.72 -5.757080652e-01 1.418122826e+00 2.633868334e+00 2.74 -6.726596325e-01 1.155542307e+00 2.291790249e+00 2.76 -7.586632966e-01 9.129853391e-01 1.974076316e+00 2.78 -8.344896320e-01 6.892707388e-01 1.679343117e+00 2.80 -9.008655059e-01 4.832990735e-01 1.406237562e+00 2.82 -9.584765451e-01 2.940253155e-01 1.153446935e+00 2.84 -1.007969085e+00 1.204561736e-01 9.197892982e-01 2.86 -1.049951964e+00 -3.835227634e-02 7.040350365e-01 2.88 -1.084998578e+00 -1.832960647e-01 5.050995257e-01 2.90 -1.113648309e+00 -3.152266088e-01 3.220215044e-01 2.92 -1.136408440e+00 -4.349518957e-01 1.538861965e-01 2.94 -1.153755527e+00 -5.432385709e-01 -1.762669245e-04 2.96 -1.166137060e+00 -6.408143816e-01 -1.409921508e-01 2.98 -1.173972672e+00 -7.283691898e-01 -2.693450624e-01 3.00 -1.177655613e+00 -8.065570411e-01 -3.859814875e-01 3.02 -1.177553942e+00 -8.759974354e-01 -4.916190907e-01 3.04 -1.174011939e+00 -9.372775311e-01 -5.869093748e-01 3.06 -1.167350955e+00 -9.909530185e-01 -6.726779675e-01 3.08 -1.157870767e+00 -1.037549722e+00 -7.494782227e-01 3.10 -1.145850687e+00 -1.077564984e+00 -8.179553569e-01 3.12 -1.131550580e+00 -1.111468963e+00 -8.787028998e-01 3.14 -1.115212037e+00 -1.139705723e+00 -9.322134049e-01 3.16 -1.097059647e+00 -1.162694662e+00 -9.790810734e-01 3.18 -1.077302169e+00 -1.180831386e+00 -1.019584026e+00 3.20 -1.056134157e+00 -1.194488955e+00 -1.054174320e+00 3.22 -1.033737636e+00 -1.204018886e+00 -1.083265994e+00 3.24 -1.010283931e+00 -1.209752054e+00 -1.107251345e+00 3.26 -9.859360703e-01 -1.211999766e+00 -1.126502006e+00 3.28 -9.608508970e-01 -1.211054641e+00 -1.141369800e+00 3.30 -9.351812795e-01 -1.207191389e+00 -1.152187455e+00 3.32 -9.090776787e-01 -1.200667821e+00 -1.159269541e+00 3.34 -8.826880334e-01 -1.191725587e+00 -1.162913180e+00 3.36 -8.561554696e-01 -1.180591045e+00 -1.163398801e+00 3.38 -8.296129709e-01 -1.167476151e+00 -1.160990998e+00 3.40 -8.031755434e-01 -1.152579131e+00 -1.155938940e+00 3.42 -7.769317082e-01 -1.136085578e+00 -1.148477280e+00 3.44 -7.509385392e-01 -1.118169242e+00 -1.138826713e+00 3.46 -7.252240212e-01 -1.098993037e+00 -1.127194539e+00 3.48 -6.997976593e-01 -1.078709958e+00 -1.113775219e+00 3.50 -6.745495894e-01 -1.057464286e+00 -1.098751174e+00 3.52 -6.498061938e-01 -1.035392167e+00 -1.082292921e+00 3.54 -6.253410602e-01 -1.012622666e+00 -1.064559942e+00 3.56 -6.011970043e-01 -9.892779756e-01 -1.045701054e+00 3.58 -5.774226321e-01 -9.654731889e-01 -1.025854721e+00 3.60 -5.540380046e-01 -9.413156418e-01 -1.005149706e+00 3.62 -5.310587581e-01 -9.169035952e-01 -9.837053481e-01 3.64 -5.084962782e-01 -8.923248300e-01 -9.616320018e-01 3.66 -4.863579879e-01 -8.676556892e-01 -9.390314928e-01 3.68 -4.646474853e-01 -8.429608349e-01 -9.159973365e-01 3.70 -4.433648696e-01 -8.182941058e-01 -8.926150834e-01 3.72 -4.225068955e-01 -7.936602041e-01 -8.689627781e-01 3.74 -4.020672498e-01 -7.692066266e-01 -8.451111321e-01 3.76 -3.820368768e-01 -7.448801027e-01 -8.211239344e-01 3.78 -3.624042619e-01 -7.207167425e-01 -7.970582761e-01 3.80 -3.431557845e-01 -6.967464182e-01 -7.729649703e-01 3.82 -3.242761924e-01 -6.729998178e-01 -7.488887815e-01 3.84 -3.057491073e-01 -6.495042528e-01 -7.248689467e-01 3.86 -2.875576313e-01 -6.262840542e-01 -7.009396430e-01 3.88 -2.696851038e-01 -6.033609483e-01 -6.771304873e-01 3.90 -2.521159950e-01 -5.807546524e-01 -6.534673343e-01 3.92 -2.348369694e-01 -5.584833944e-01 -6.299731786e-01 3.94 -2.178381540e-01 -5.365645359e-01 -6.066693426e-01 3.96 -2.011146032e-01 -5.150151877e-01 -5.835768079e-01 3.98 -1.846680020e-01 -4.938530613e-01 -5.607180470e-01 4.00 -1.685085264e-01 -4.730972694e-01 -5.381189898e-01 4.02 -1.526568926e-01 -4.527692701e-01 -5.158112574e-01 4.04 -1.371463792e-01 -4.328936922e-01 -4.938342480e-01 4.06 -1.220247667e-01 -4.134989416e-01 -4.722367430e-01 4.08 -1.073558217e-01 -3.946175170e-01 -4.510776469e-01 4.10 -9.321999452e-02 -3.762851756e-01 -4.304245708e-01 4.12 -7.971381505e-02 -3.585385663e-01 -4.103496197e-01 4.14 -6.694738832e-02 -3.414111458e-01 -3.909221246e-01 4.16 -5.503938428e-02 -3.249268302e-01 -3.721980385e-01 4.18 -4.410909877e-02 -3.090924983e-01 -3.542079505e-01 4.20 -3.426579890e-02 -2.938859610e-01 -3.369471655e-01 4.22 -2.559712447e-02 -2.792800233e-01 -3.203719790e-01 4.24 -1.816142782e-02 -2.651958688e-01 -3.044054112e-01 4.26 -1.199208649e-02 -2.515580508e-01 -2.889524462e-01 4.28 -6.812501250e-03 -2.381770787e-01 -2.737238240e-01 4.30 -3.510557235e-03 -2.253056445e-01 -2.591565822e-01 4.32 5.360040525e-05 -2.126657031e-01 -2.448160216e-01 4.34 2.545281426e-05 -2.002522843e-01 -2.307012241e-01 4.36 9.570502786e-06 -1.880640150e-01 -2.168157399e-01 4.38 7.869199093e-07 -1.761017682e-01 -2.031655701e-01 4.40 0.000000000e+00 -1.643609229e-01 -1.897475459e-01 4.42 0.000000000e+00 -1.528396282e-01 -1.765615723e-01 4.44 0.000000000e+00 -1.415393637e-01 -1.636112984e-01 4.46 0.000000000e+00 -1.304655495e-01 -1.509048473e-01 4.48 0.000000000e+00 -1.196281406e-01 -1.384555315e-01 4.50 0.000000000e+00 -1.090421761e-01 -1.262825174e-01 4.52 0.000000000e+00 -9.872823251e-02 -1.144113850e-01 4.54 0.000000000e+00 -8.871273347e-02 -1.028745254e-01 4.56 0.000000000e+00 -7.902797218e-02 -9.171121435e-02 4.58 0.000000000e+00 -6.971181855e-02 -8.096733073e-02 4.60 0.000000000e+00 -6.080693706e-02 -7.069451937e-02 4.62 0.000000000e+00 -5.235943425e-02 -6.094870737e-02 4.64 0.000000000e+00 -4.441680552e-02 -5.178781753e-02 4.66 0.000000000e+00 -3.702517247e-02 -4.326862546e-02 4.68 0.000000000e+00 -3.022586107e-02 -3.544273351e-02 4.70 0.000000000e+00 -2.405178097e-02 -2.835187722e-02 4.72 0.000000000e+00 -1.852486664e-02 -2.202323990e-02 4.74 0.000000000e+00 -1.365765076e-02 -1.646659916e-02 4.76 0.000000000e+00 -9.465075110e-03 -1.167812491e-02 4.78 0.000000000e+00 -5.991012068e-03 -7.660191370e-03 4.80 0.000000000e+00 -3.326571944e-03 -4.460634110e-03 4.82 0.000000000e+00 -1.546988425e-03 -2.178953061e-03 4.84 0.000000000e+00 2.551392748e-05 3.828501555e-05 4.86 0.000000000e+00 1.264843544e-05 1.897377198e-05 4.88 0.000000000e+00 4.612649564e-06 6.918998946e-06 4.90 0.000000000e+00 7.593704996e-18 9.049842813e-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