# Diatom energy (eV) vs. 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 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cd Cd Cd Te Te Te 0.02 3.715572640e+05 6.224466541e+04 4.978645547e+04 0.04 3.715572640e+05 6.224466541e+04 4.978645547e+04 0.06 3.715572640e+05 6.224466541e+04 4.978645547e+04 0.08 3.715572640e+05 6.224466541e+04 4.978645547e+04 0.10 3.697709489e+05 6.182879664e+04 4.972431725e+04 0.12 2.047568958e+05 3.873681238e+04 3.167614505e+04 0.14 1.236826841e+05 2.592591791e+04 2.159471667e+04 0.16 7.989762964e+04 1.829989425e+04 1.548449765e+04 0.18 5.432618365e+04 1.345223745e+04 1.153938162e+04 0.20 3.846094994e+04 1.021021665e+04 8.864493826e+03 0.22 2.813214774e+04 7.952509450e+03 6.978774774e+03 0.24 2.113848309e+04 6.327520639e+03 5.606454267e+03 0.26 1.624598013e+04 5.125400079e+03 4.581005657e+03 0.28 1.272776043e+04 4.215257561e+03 3.797452253e+03 0.30 1.013744273e+04 3.512372339e+03 3.187182075e+03 0.32 8.190997408e+03 2.960148076e+03 2.703945841e+03 0.34 6.702071512e+03 2.519731134e+03 2.315727483e+03 0.36 5.545090364e+03 2.163806282e+03 1.999843139e+03 0.38 4.633421641e+03 1.872764220e+03 1.739889055e+03 0.40 3.906041057e+03 1.632263578e+03 1.523785965e+03 0.42 3.319154942e+03 1.431640715e+03 1.342493967e+03 0.44 2.840805434e+03 1.262847322e+03 1.189148515e+03 0.46 2.447317155e+03 1.119726777e+03 1.058468078e+03 0.48 2.120908126e+03 9.975117830e+02 9.463402964e+02 0.50 1.848054964e+03 8.924691051e+02 8.495279206e+02 0.52 1.618354448e+03 8.016456103e+02 7.654573919e+02 0.54 1.423719316e+03 7.226831007e+02 6.920636900e+02 0.56 1.257800742e+03 6.536820611e+02 6.276758869e+02 0.58 1.115570393e+03 5.931001919e+02 5.709312720e+02 0.60 9.930119540e+02 5.396758843e+02 5.207104457e+02 0.62 8.868928287e+02 4.923699496e+02 4.760876277e+02 0.64 7.945919757e+02 4.503208656e+02 4.362923071e+02 0.66 7.139701106e+02 4.128101231e+02 4.006794478e+02 0.68 6.432699352e+02 3.792350284e+02 3.687060399e+02 0.70 5.810393111e+02 3.490873840e+02 3.399126125e+02 0.72 5.260715634e+02 3.219365249e+02 3.139084531e+02 0.74 4.773586755e+02 2.974157506e+02 2.903598118e+02 0.76 4.340543794e+02 2.752114287e+02 2.689803132e+02 0.78 3.954448735e+02 2.550542264e+02 2.495232828e+02 0.80 3.609253781e+02 2.367118887e+02 2.317753912e+02 0.82 3.299812919e+02 2.199833778e+02 2.155514274e+02 0.84 3.021730302e+02 2.046940941e+02 2.006900852e+02 0.86 2.771236311e+02 1.906918205e+02 1.870503759e+02 0.88 2.545086504e+02 1.778434726e+02 1.745086810e+02 0.90 2.340478936e+02 1.660323052e+02 1.629563032e+02 0.92 2.154985503e+02 1.551556116e+02 1.522973657e+02 0.94 1.986495747e+02 1.451227859e+02 1.424470735e+02 0.96 1.833169557e+02 1.358536561e+02 1.333302442e+02 0.98 1.693398017e+02 1.272771352e+02 1.248800346e+02 1.00 1.565770154e+02 1.193300086e+02 1.170368900e+02 1.02 1.449045803e+02 1.119559368e+02 1.097476030e+02 1.04 1.342131614e+02 1.051046029e+02 1.029645621e+02 1.06 1.244061722e+02 9.873094231e+01 9.664503262e+01 1.08 1.153980573e+02 9.279453768e+01 9.075061058e+01 1.10 1.071128773e+02 8.725905962e+01 8.524670937e+01 1.12 9.948307179e+01 8.209176784e+01 8.010209364e+01 1.14 9.244842485e+01 7.726313307e+01 7.528854251e+01 1.16 8.595514081e+01 7.274645543e+01 7.078049002e+01 1.18 7.995504977e+01 6.851754747e+01 6.655474635e+01 1.20 7.440498266e+01 6.455447111e+01 6.259021943e+01 1.22 6.926614677e+01 6.083729010e+01 5.886772275e+01 1.24 6.450362595e+01 5.734785718e+01 5.536976269e+01 1.26 6.008594909e+01 5.406963245e+01 5.208036339e+01 1.28 5.598469259e+01 5.098751477e+01 4.898491954e+01 1.30 5.217415049e+01 4.808769912e+01 4.607005482e+01 1.32 4.863103412e+01 4.535754475e+01 4.332350545e+01 1.34 4.533421788e+01 4.278546338e+01 4.073400980e+01 1.36 4.226450377e+01 4.036081775e+01 3.829121523e+01 1.38 3.940442679e+01 3.807382786e+01 3.598559173e+01 1.40 3.673807144e+01 3.591549246e+01 3.380835370e+01 1.42 3.425091881e+01 3.387752032e+01 3.175139654e+01 1.44 3.192970352e+01 3.195225642e+01 2.980723055e+01 1.46 2.976229184e+01 3.013263401e+01 2.796893084e+01 1.48 2.773756897e+01 2.841211712e+01 2.623008145e+01 1.50 2.584534668e+01 2.678465269e+01 2.458473862e+01 1.52 2.407626641e+01 2.524463398e+01 2.302738533e+01 1.54 2.242173190e+01 2.378685737e+01 2.155289564e+01 1.56 2.087382872e+01 2.240649000e+01 2.015650489e+01 1.58 1.942526727e+01 2.109903794e+01 1.883377675e+01 1.60 1.806932726e+01 1.986032122e+01 1.758057637e+01 1.62 1.679980451e+01 1.868644315e+01 1.639305130e+01 1.64 1.561096495e+01 1.757377204e+01 1.526760141e+01 1.66 1.449750573e+01 1.651891768e+01 1.420086477e+01 1.68 1.345451544e+01 1.551871310e+01 1.318969585e+01 1.70 1.247744526e+01 1.457019702e+01 1.223115121e+01 1.72 1.156207357e+01 1.367059704e+01 1.132247260e+01 1.74 1.070448096e+01 1.281731633e+01 1.046107232e+01 1.76 9.901025920e+00 1.200792200e+01 9.644522996e+00 1.78 9.148321156e+00 1.124012808e+01 8.870545620e+00 1.80 8.443212793e+00 1.051178944e+01 8.136993329e+00 1.82 7.782765182e+00 9.820890726e+00 7.441850955e+00 1.84 7.164238300e+00 9.165533063e+00 6.783216448e+00 1.86 6.585076539e+00 8.543932749e+00 6.159300841e+00 1.88 6.042894723e+00 7.954405488e+00 5.568414461e+00 1.90 5.535461269e+00 7.395364686e+00 5.008963398e+00 1.92 5.060690799e+00 6.865314216e+00 4.479440980e+00 1.94 4.616632275e+00 6.362839505e+00 3.978423306e+00 1.96 4.201457140e+00 5.886603523e+00 3.504562826e+00 1.98 3.813453031e+00 5.435343626e+00 3.056585230e+00 2.00 3.451013371e+00 5.007862886e+00 2.633281915e+00 2.02 3.112630861e+00 4.603028854e+00 2.233505417e+00 2.04 2.796890503e+00 4.219768235e+00 1.856169836e+00 2.06 2.502462783e+00 3.857062013e+00 1.500242708e+00 2.08 2.228098281e+00 3.513945992e+00 1.164742232e+00 2.10 1.972621733e+00 3.189500340e+00 8.487355194e-01 2.12 1.734926873e+00 2.882855131e+00 5.513366185e-01 2.14 1.513972540e+00 2.593180744e+00 2.716992394e-01 2.16 1.308778036e+00 2.319688877e+00 9.020258486e-03 2.18 1.118419036e+00 2.061629056e+00 -2.374696111e-01 2.20 9.420237430e-01 1.818286588e+00 -4.685004756e-01 2.22 7.787704160e-01 1.588980376e+00 -6.847709813e-01 2.24 6.278830178e-01 1.373061057e+00 -8.869482819e-01 2.26 4.886294835e-01 1.169908971e+00 -1.075668712e+00 2.28 3.603182012e-01 9.789332692e-01 -1.251541566e+00 2.30 2.422957715e-01 7.995693380e-01 -1.415149213e+00 2.32 1.339446571e-01 6.312780558e-01 -1.567048909e+00 2.34 3.468136115e-02 4.735442778e-01 -1.707774340e+00 2.36 -5.604635775e-02 3.258753729e-01 -1.837835436e+00 2.38 -1.387602746e-01 1.878003124e-01 -1.957723051e+00 2.40 -2.139545780e-01 5.886821773e-02 -2.067905648e+00 2.42 -2.820967525e-01 -6.135220014e-02 -2.168833276e+00 2.44 -3.436290996e-01 -1.732738275e-01 -2.260937527e+00 2.46 -3.989705811e-01 -2.772922229e-01 -2.344632971e+00 2.48 -4.485180724e-01 -3.737863027e-01 -2.420316806e+00 2.50 -4.926469496e-01 -4.631190334e-01 -2.488371125e+00 2.52 -5.317130253e-01 -5.456383602e-01 -2.549162906e+00 2.54 -5.660533994e-01 -6.216777176e-01 -2.603043612e+00 2.56 -5.959871664e-01 -6.915567670e-01 -2.650352471e+00 2.58 -6.218166602e-01 -7.555822275e-01 -2.691414776e+00 2.60 -6.438281709e-01 -8.140480534e-01 -2.726543088e+00 2.62 -6.622929983e-01 -8.672364469e-01 -2.756038526e+00 2.64 -6.774679090e-01 -9.154176580e-01 -2.780189556e+00 2.66 -6.895959783e-01 -9.588511108e-01 -2.799274736e+00 2.68 -6.989073796e-01 -9.977861084e-01 -2.813561586e+00 2.70 -7.056197970e-01 -1.032461357e+00 -2.823306939e+00 2.72 -7.099392491e-01 -1.063105720e+00 -2.828758276e+00 2.74 -7.120602905e-01 -1.089939213e+00 -2.830153487e+00 2.76 -7.121668995e-01 -1.113172357e+00 -2.827721215e+00 2.78 -7.104327563e-01 -1.133007416e+00 -2.821681731e+00 2.80 -7.070216770e-01 -1.149638226e+00 -2.812246260e+00 2.82 -7.020881694e-01 -1.163250551e+00 -2.799618235e+00 2.84 -6.957776678e-01 -1.174022603e+00 -2.783993266e+00 2.86 -6.882270358e-01 -1.182125295e+00 -2.765559206e+00 2.88 -6.795648336e-01 -1.187721947e+00 -2.744496588e+00 2.90 -6.699117482e-01 -1.190969530e+00 -2.720978944e+00 2.92 -6.593808386e-01 -1.192018088e+00 -2.695172690e+00 2.94 -6.480779632e-01 -1.191011146e+00 -2.667237858e+00 2.96 -6.361019084e-01 -1.188086357e+00 -2.637328093e+00 2.98 -6.235448451e-01 -1.183375270e+00 -2.605590648e+00 3.00 -6.104924895e-01 -1.177003700e+00 -2.572166714e+00 3.02 -5.970244863e-01 -1.169091688e+00 -2.537192012e+00 3.04 -5.832146689e-01 -1.159754259e+00 -2.500796166e+00 3.06 -5.691312012e-01 -1.149101024e+00 -2.463103628e+00 3.08 -5.548370049e-01 -1.137236626e+00 -2.424233585e+00 3.10 -5.403899375e-01 -1.124260874e+00 -2.384299934e+00 3.12 -5.258430635e-01 -1.110268908e+00 -2.343411693e+00 3.14 -5.112448084e-01 -1.095351302e+00 -2.301673153e+00 3.16 -4.966394286e-01 -1.079594344e+00 -2.259183817e+00 3.18 -4.820670306e-01 -1.063080036e+00 -2.216038781e+00 3.20 -4.675639228e-01 -1.045886319e+00 -2.172328791e+00 3.22 -4.531628059e-01 -1.028087225e+00 -2.128140308e+00 3.24 -4.388930060e-01 -1.009752958e+00 -2.083555761e+00 3.26 -4.247806686e-01 -9.909500834e-01 -2.038653593e+00 3.28 -4.108490120e-01 -9.717415840e-01 -1.993508466e+00 3.30 -3.971184565e-01 -9.521870744e-01 -1.948191306e+00 3.32 -3.836068945e-01 -9.323428162e-01 -1.902769466e+00 3.34 -3.703298039e-01 -9.122619237e-01 -1.857306753e+00 3.36 -3.573004307e-01 -8.919944281e-01 -1.811863685e+00 3.38 -3.445299834e-01 -8.715874436e-01 -1.766497497e+00 3.40 -3.320277726e-01 -8.510851666e-01 -1.721262174e+00 3.42 -3.198012729e-01 -8.305291177e-01 -1.676208647e+00 3.44 -3.078563817e-01 -8.099581287e-01 -1.631384751e+00 3.46 -2.961974316e-01 -7.894085152e-01 -1.586835407e+00 3.48 -2.848273285e-01 -7.689140898e-01 -1.542602535e+00 3.50 -2.737476773e-01 -7.485064158e-01 -1.498725180e+00 3.52 -2.629587780e-01 -7.282146687e-01 -1.455239454e+00 3.54 -2.524598060e-01 -7.080659337e-01 -1.412178588e+00 3.56 -2.422488013e-01 -6.880851981e-01 -1.369572896e+00 3.58 -2.323227165e-01 -6.682954118e-01 -1.327449622e+00 3.60 -2.226774859e-01 -6.487176208e-01 -1.285833063e+00 3.62 -2.133080220e-01 -6.293710004e-01 -1.244744151e+00 3.64 -2.042082314e-01 -6.102729681e-01 -1.204200700e+00 3.66 -1.953710275e-01 -5.914392736e-01 -1.164216898e+00 3.68 -1.867883006e-01 -5.728840089e-01 -1.124803230e+00 3.70 -1.784509112e-01 -5.546196804e-01 -1.085966297e+00 3.72 -1.703486464e-01 -5.366573471e-01 -1.047708386e+00 3.74 -1.624701834e-01 -5.190066114e-01 -1.010027329e+00 3.76 -1.548030432e-01 -5.016757299e-01 -9.729159529e-01 3.78 -1.473335541e-01 -4.846716280e-01 -9.363618313e-01 3.80 -1.400467899e-01 -4.680000073e-01 -9.003468957e-01 3.82 -1.329265673e-01 -4.516653234e-01 -8.648469122e-01 3.84 -1.259554314e-01 -4.356709193e-01 -8.298312626e-01 3.86 -1.191147050e-01 -4.200190527e-01 -7.952624830e-01 3.88 -1.123846074e-01 -4.047109068e-01 -7.610960116e-01 3.90 -1.057444577e-01 -3.897466734e-01 -7.272801422e-01 3.92 -9.917303733e-02 -3.751255907e-01 -6.937559703e-01 3.94 -9.264911618e-02 -3.608460048e-01 -6.604580796e-01 3.96 -8.615224809e-02 -3.469053490e-01 -6.273150138e-01 3.98 -7.966386558e-02 -3.333002472e-01 -5.942510635e-01 4.00 -7.316875727e-02 -3.200265267e-01 -5.611882787e-01 4.02 -6.665699551e-02 -3.070792854e-01 -5.280497508e-01 4.04 -6.012633713e-02 -2.944529057e-01 -4.947643736e-01 4.06 -5.358510036e-02 -2.821410606e-01 -4.612725445e-01 4.08 -4.705547956e-02 -2.701368459e-01 -4.275342231e-01 4.10 -4.057718861e-02 -2.584327853e-01 -3.935384263e-01 4.12 -3.421139170e-02 -2.470208067e-01 -3.593143492e-01 4.14 -2.804502391e-02 -2.358924062e-01 -3.249437344e-01 4.16 -2.219546569e-02 -2.250386708e-01 -2.905729411e-01 4.18 -1.681370359e-02 -2.144503248e-01 -2.564232931e-01 4.20 -1.172905322e-02 -2.041178204e-01 -2.227970503e-01 4.22 -7.252205206e-03 -1.940314498e-01 -1.900760872e-01 4.24 -3.837329904e-03 -1.841814077e-01 -1.587104634e-01 4.26 -1.627189407e-03 -1.745579805e-01 -1.291948841e-01 4.28 -4.523429428e-05 -1.651516573e-01 -1.020326837e-01 4.30 -1.159945857e-06 -1.559533051e-01 -7.768902133e-02 4.32 2.645274924e-06 -1.469543797e-01 -5.653703815e-02 4.34 0.000000000e+00 -1.381471524e-01 -3.880394485e-02 4.36 0.000000000e+00 -1.295249376e-01 -2.453628774e-02 4.38 0.000000000e+00 -1.210823619e-01 -1.365241553e-02 4.40 0.000000000e+00 -1.128157009e-01 -5.786627649e-03 4.42 0.000000000e+00 -1.047232587e-01 -1.295365209e-03 4.44 0.000000000e+00 -9.680571182e-02 8.452641828e-06 4.46 0.000000000e+00 -8.906645247e-02 0.000000000e+00 4.48 0.000000000e+00 -8.151193815e-02 0.000000000e+00 4.50 0.000000000e+00 -7.415199090e-02 0.000000000e+00 4.52 0.000000000e+00 -6.700001436e-02 0.000000000e+00 4.54 0.000000000e+00 -6.007309508e-02 0.000000000e+00 4.56 0.000000000e+00 -5.339190782e-02 0.000000000e+00 4.58 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