# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = 2013--Zhou-X-W--Zn-Cd-Hg-S-Se-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 Hg Cd S Cd Se Cd Te Cd Zn Hg Hg Hg S Hg Se Hg Te Hg Zn S S S Se S Te S Zn Se Se Se Te Se Zn Te Te Te Zn Zn Zn 0.02 1.171403752e+09 2.586902991e+08 5.824552998e+08 6.955499648e+08 9.505621489e+08 4.438148114e+08 2.070870525e+09 7.766875101e+08 7.590973307e+08 9.382073671e+08 2.312783080e+08 2.423663541e+09 5.551063577e+08 7.750428658e+08 6.997751893e+08 2.877949808e+09 8.166608481e+08 6.946002555e+08 2.537904301e+09 9.033652038e+08 8.600609243e+08 0.04 7.297417510e+07 1.612030185e+07 3.631274307e+07 4.335890908e+07 5.925410206e+07 2.766197735e+07 1.289966188e+08 4.839826565e+07 4.730787298e+07 5.848253071e+07 1.441269776e+07 1.510463100e+08 3.459082022e+07 4.829681196e+07 4.358471456e+07 1.793246624e+08 5.089971810e+07 4.328380182e+07 1.581844188e+08 5.630733968e+07 5.355577196e+07 0.06 1.436721190e+07 3.174740154e+06 7.154820773e+06 8.542237517e+06 1.167347791e+07 5.448882825e+06 2.539475323e+07 9.531337623e+06 9.317751399e+06 1.152117378e+07 2.838555197e+06 2.975024871e+07 6.812190078e+06 9.511583260e+06 8.579223849e+06 3.531337633e+07 1.002609228e+07 8.524256810e+06 3.115994049e+07 1.109198444e+07 1.053950227e+07 0.08 4.530762969e+06 1.001474626e+06 2.258064861e+06 2.695646722e+06 3.683671415e+06 1.719211597e+06 8.007645057e+06 3.006582912e+06 2.939580180e+06 3.635510280e+06 8.954592194e+05 9.385742198e+06 2.148862271e+06 3.000430144e+06 2.704920349e+06 1.113873200e+07 3.163337207e+06 2.688951492e+06 9.831706762e+06 3.499861458e+06 3.322196644e+06 0.10 1.849567418e+06 4.089524434e+05 9.225210319e+05 1.101175828e+06 1.504751228e+06 7.021876740e+05 3.268626279e+06 1.227699459e+06 1.200494944e+06 1.485034484e+06 3.656747484e+05 3.833086688e+06 8.774665654e+05 1.225222350e+06 1.103971198e+06 4.548142434e+06 1.291995901e+06 1.098016669e+06 4.015735943e+06 1.429532930e+06 1.355583370e+06 0.12 8.889323821e+05 1.966103551e+05 4.437290601e+05 5.296053113e+05 7.236881595e+05 3.376593398e+05 1.570815522e+06 5.902147308e+05 5.772126289e+05 7.141837311e+05 1.758103273e+05 1.843021666e+06 4.218443732e+05 5.890424603e+05 5.304654674e+05 2.186421944e+06 6.212670455e+05 5.278783951e+05 1.931101936e+06 6.874463732e+05 6.512119107e+05 0.14 4.781777008e+05 1.057944356e+05 2.388818753e+05 2.850834876e+05 3.895501900e+05 1.817306719e+05 8.449031766e+05 3.175770951e+05 3.106232191e+05 3.844216925e+05 9.460543757e+04 9.918279287e+05 2.269841996e+05 3.169572657e+05 2.852820126e+05 1.176407784e+06 3.343637823e+05 2.840401756e+05 1.039373185e+06 3.700044801e+05 3.501351348e+05 0.16 2.793270390e+05 6.181914075e+04 1.396538587e+05 1.666466785e+05 2.277097064e+05 1.062141846e+05 4.935051414e+05 1.855624898e+05 1.815245872e+05 2.247042742e+05 5.528290629e+04 5.796253494e+05 1.326298740e+05 1.852072853e+05 1.666057571e+05 6.873642076e+05 1.954180981e+05 1.659690878e+05 6.074985748e+05 2.162616400e+05 2.044311468e+05 0.18 1.737710681e+05 3.847019136e+04 8.694897152e+04 1.037441508e+05 1.417566789e+05 6.611184287e+04 3.069850939e+05 1.154703653e+05 1.129738689e+05 1.398807689e+05 3.440377673e+04 3.607458440e+05 8.253284431e+04 1.152540486e+05 1.036193962e+05 4.277193656e+05 1.216333305e+05 1.032793472e+05 3.781502593e+05 1.346151416e+05 1.271141556e+05 0.20 1.136068767e+05 2.515871978e+04 5.689041200e+04 6.787259309e+04 9.274085849e+04 4.324542108e+04 2.006807531e+05 7.551125143e+04 7.388956765e+04 9.151023669e+04 2.250004076e+04 2.359500459e+05 5.397260164e+04 7.537314374e+04 6.772493794e+04 2.797021572e+05 7.956175087e+04 6.753981843e+04 2.473722218e+05 8.805860986e+04 8.306111156e+04 0.22 7.731662119e+04 1.712748861e+04 3.874848597e+04 4.622396608e+04 6.316007247e+04 2.944715764e+04 1.365637947e+05 5.140337086e+04 5.030706628e+04 6.231960632e+04 1.531794243e+04 1.606504735e+05 3.674167072e+04 5.131183119e+04 4.607764572e+04 1.904040449e+05 5.417491371e+04 4.597738438e+04 1.684548344e+05 5.996411087e+04 5.649845961e+04 0.24 5.439247007e+04 1.205302465e+04 2.728144749e+04 3.254153856e+04 4.446461137e+04 2.072742675e+04 9.606464742e+04 3.617149429e+04 3.540559257e+04 4.387120514e+04 1.077987205e+04 1.130690513e+05 2.585469724e+04 3.610896750e+04 3.240572226e+04 1.339851507e+05 3.813209306e+04 3.235359256e+04 1.185820165e+05 4.220937308e+04 3.972525587e+04 0.26 3.934512544e+04 8.721352169e+03 1.974990516e+04 2.355565570e+04 3.218660596e+04 1.500149362e+04 6.948299504e+04 2.617123948e+04 2.562123069e+04 3.175577681e+04 7.800292291e+03 8.182647799e+04 1.870694904e+04 2.612747803e+04 2.343313822e+04 9.694513297e+04 2.759751071e+04 2.340897991e+04 8.583131724e+04 3.055009546e+04 2.871945372e+04 0.28 2.914287529e+04 6.461892208e+03 1.464029807e+04 1.745987537e+04 2.385764547e+04 1.111766408e+04 5.146164505e+04 1.938954663e+04 1.898523851e+04 2.353732986e+04 5.779559703e+03 6.063668039e+04 1.385963560e+04 1.935830986e+04 1.735076043e+04 7.182694652e+04 2.045214381e+04 1.734309005e+04 6.361618577e+04 2.264149584e+04 2.126021458e+04 0.30 2.203121614e+04 4.886507607e+03 1.107634958e+04 1.320841417e+04 1.804873701e+04 8.409255750e+03 3.890044040e+04 1.466125863e+04 1.435803418e+04 1.780566104e+04 4.370588597e+03 4.586102184e+04 1.047998266e+04 1.463860733e+04 1.311173039e+04 5.431456359e+04 1.546936331e+04 1.311381143e+04 4.812380146e+04 1.712621682e+04 1.606260307e+04 0.32 1.695354078e+04 3.761414898e+03 8.530130083e+03 1.017125416e+04 1.389901298e+04 6.474668152e+03 2.993247230e+04 1.128458853e+04 1.105318905e+04 1.371123558e+04 3.364317723e+03 3.530775051e+04 8.066398783e+03 1.126795865e+04 1.008567458e+04 4.180845279e+04 1.191027166e+04 1.009346325e+04 3.705733647e+04 1.318658602e+04 1.235298107e+04 0.34 1.325129806e+04 2.940880641e+03 6.672463779e+03 7.955586555e+03 1.087173842e+04 5.063528875e+03 2.339420693e+04 8.822071979e+03 8.642783616e+03 1.072439291e+04 2.630422249e+03 2.761051931e+04 6.306211462e+03 8.809749617e+03 7.879745444e+03 3.268821186e+04 9.314217653e+03 7.890772319e+03 2.898484080e+04 1.031282511e+04 9.649278453e+03 0.36 1.050155900e+04 2.331298135e+03 5.291864336e+03 6.309056294e+03 8.622098439e+03 4.015002702e+03 1.853844437e+04 6.992724739e+03 6.851945587e+03 8.504868461e+03 2.085191085e+03 2.189165449e+04 4.998589416e+03 6.983537320e+03 6.241681110e+03 2.591307509e+04 7.385289286e+03 6.254420843e+03 2.298643688e+04 8.177453306e+03 7.641978787e+03 0.38 8.425466603e+03 1.870938123e+03 4.248832016e+03 5.065215021e+03 6.922662334e+03 3.223014783e+03 1.487254348e+04 5.611254480e+03 5.499400661e+03 6.828236637e+03 1.673419636e+03 1.757233844e+04 4.011095653e+03 5.604383223e+03 5.005172953e+03 2.079673362e+04 5.928327129e+03 5.018678240e+03 1.845543142e+04 6.564484027e+03 6.127052789e+03 0.40 6.834814520e+03 1.518131498e+03 3.449177046e+03 4.111683446e+03 5.619879524e+03 2.615953601e+03 1.206402610e+04 4.552585902e+03 4.462777306e+03 5.542978333e+03 1.357842456e+03 1.426182968e+04 3.254332527e+03 4.547448617e+03 4.057989135e+03 1.687592690e+04 4.811579667e+03 4.071672694e+03 1.498223588e+04 5.328100691e+03 4.966830532e+03 0.42 5.599903235e+03 1.244157966e+03 2.827963358e+03 3.370989538e+03 4.607896341e+03 2.144455755e+03 9.883780816e+03 3.730513116e+03 3.657727262e+03 4.544642166e+03 1.112773987e+03 1.169079558e+04 2.666683927e+03 3.726689102e+03 3.322796078e+03 1.383136688e+04 3.944228588e+03 3.336297872e+03 1.228450629e+04 4.367786487e+03 4.066462303e+03 0.44 4.629663221e+03 1.028848052e+03 2.339576811e+03 2.788716257e+03 3.812360934e+03 1.773850875e+03 8.170942882e+03 3.084497429e+03 3.025012204e+03 3.759862561e+03 9.201756404e+02 9.670080344e+03 2.204879213e+03 3.081678256e+03 2.745299979e+03 1.143883524e+04 3.262488326e+03 2.758404811e+03 1.016393433e+04 3.612941905e+03 3.359365196e+03 0.46 3.859058725e+03 8.577957046e+02 1.951429376e+03 2.325988651e+03 3.180157615e+03 1.479372911e+03 6.810638928e+03 2.571300059e+03 2.522319108e+03 3.136229368e+03 7.671631170e+02 8.064571602e+03 1.838012804e+03 2.569256643e+03 2.286732591e+03 9.538190317e+03 2.720795471e+03 2.299318132e+03 8.478859660e+03 3.013134563e+03 2.798002088e+03 0.48 3.240927070e+03 7.205522078e+02 1.639879043e+03 1.954605191e+03 2.672754366e+03 1.243057049e+03 5.719568985e+03 2.159560642e+03 2.118956849e+03 2.635723099e+03 6.443912629e+02 6.776266608e+03 1.543669233e+03 2.158120826e+03 1.918983404e+03 8.013285894e+03 2.286099546e+03 1.930986968e+03 7.126522289e+03 2.531780989e+03 2.347908697e+03 0.50 2.740584616e+03 6.094322583e+02 1.387532135e+03 1.653818844e+03 2.261804554e+03 1.051688229e+03 4.836476839e+03 1.826213373e+03 1.792350220e+03 2.230374701e+03 5.449863508e+02 5.733077560e+03 1.305361608e+03 1.825246397e+03 1.621382413e+03 6.778696732e+03 1.934088610e+03 1.632779483e+03 6.031329429e+03 2.141969506e+03 1.983746309e+03 0.52 2.332195801e+03 5.187101818e+02 1.181426830e+03 1.408169693e+03 1.926185496e+03 8.954199188e+02 4.115735434e+03 1.554074290e+03 1.525679528e+03 1.899343255e+03 4.638272539e+02 4.881294730e+03 1.110807138e+03 1.553479875e+03 1.378534646e+03 5.770782148e+03 1.646648046e+03 1.389324868e+03 5.136955613e+03 1.823647810e+03 1.686645180e+03 0.54 1.996287838e+03 4.440697006e+02 1.011789443e+03 1.206001035e+03 1.649970915e+03 7.668285177e+02 3.522956413e+03 1.330189666e+03 1.306264707e+03 1.626915236e+03 3.970533628e+02 4.180426849e+03 9.507466479e+02 1.329890227e+03 1.178838086e+03 4.941568722e+03 1.410120832e+03 1.189036090e+03 4.400934291e+03 1.561697530e+03 1.442386498e+03 0.56 1.718023348e+03 3.822214537e+02 8.711697351e+02 1.038427732e+03 1.421021347e+03 6.602559889e+02 3.031938685e+03 1.144687952e+03 1.124442038e+03 1.401113593e+03 3.417225227e+02 3.599614376e+03 8.181240033e+02 1.144622983e+03 1.013453664e+03 4.254498149e+03 1.214098126e+03 1.023083020e+03 3.790897966e+03 1.344595672e+03 1.240139014e+03 0.58 1.485982685e+03 3.306333450e+02 7.538311781e+02 8.986087890e+02 1.229990239e+03 5.713463768e+02 2.622517480e+03 9.899704010e+02 9.727721970e+02 1.212717004e+03 2.955698724e+02 3.115100720e+03 7.075076069e+02 9.900923684e+02 8.755792476e+02 3.681429533e+03 1.050566550e+03 8.846684905e+02 3.281927196e+03 1.163470833e+03 1.071568623e+03 0.60 1.291294308e+03 2.873379389e+02 6.553153635e+02 7.812276965e+02 1.069613926e+03 4.967147244e+02 2.279028228e+03 8.601329629e+02 8.454745656e+02 1.054559281e+03 2.568355876e+02 2.708425927e+03 6.146771919e+02 8.604042755e+02 7.599311855e+02 3.200498270e+03 9.132990819e+02 7.685112105e+02 2.854656875e+03 1.011429014e+03 9.302025591e+02 0.62 1.127006126e+03 2.507932128e+02 5.721270195e+02 6.821166819e+02 9.341982355e+02 4.337076917e+02 1.989196169e+03 7.505483389e+02 7.380182377e+02 9.210227845e+02 2.241403425e+02 2.365120704e+03 5.363250903e+02 7.509390863e+02 6.623695536e+02 2.794568131e+03 7.974146452e+02 6.704719263e+02 2.493907001e+03 8.830661558e+02 8.109698777e+02 0.64 9.876259214e+02 2.197807453e+02 5.015036674e+02 5.979819364e+02 8.192430682e+02 3.802285155e+02 1.743324612e+03 6.575604014e+02 6.468229730e+02 8.076679960e+02 1.963942516e+02 2.073751515e+03 4.698378151e+02 6.580466529e+02 5.796242144e+02 2.450099523e+03 6.990560830e+02 5.872800933e+02 2.187681449e+03 7.741116900e+02 7.098655711e+02 0.66 8.687818210e+02 1.933304908e+02 4.412453960e+02 5.262005646e+02 7.211649655e+02 3.346076664e+02 1.533695256e+03 5.782584161e+02 5.690382313e+02 7.109597761e+02 1.727295889e+02 1.825214996e+03 4.131346814e+02 5.788209280e+02 5.090924538e+02 2.156313317e+03 6.151522024e+02 5.163319232e+02 1.926428122e+03 6.811651436e+02 6.237024775e+02 0.68 7.669689868e+02 1.706646499e+02 3.895878236e+02 4.646690554e+02 6.370900794e+02 2.955063321e+02 1.354120818e+03 5.103085793e+02 5.023782930e+02 6.280630915e+02 1.524505850e+02 1.612211458e+03 3.645473930e+02 5.109318060e+02 4.486880196e+02 1.904566941e+03 5.432402096e+02 4.555396983e+02 1.702486863e+03 6.014995863e+02 5.499262238e+02 0.70 6.793588888e+02 1.511554012e+02 3.451064151e+02 4.116891583e+02 5.646982460e+02 2.618437295e+02 1.199608195e+03 4.518271615e+02 4.449980939e+02 5.566891675e+02 1.349956224e+02 1.428848400e+03 3.227293690e+02 4.524984927e+02 3.967274673e+02 1.687884580e+03 4.813319879e+02 4.032183002e+02 1.509673657e+03 5.329136040e+02 4.864759151e+02 0.72 6.036544547e+02 1.342927970e+02 3.066437912e+02 3.658811858e+02 5.021045342e+02 2.327418901e+02 1.066102651e+03 4.012841539e+02 3.953989106e+02 4.949786176e+02 1.199085199e+02 1.270339334e+03 2.865868717e+02 4.019933222e+02 3.518438506e+02 1.500600335e+03 4.278125190e+02 3.579990231e+02 1.342964790e+03 4.736188528e+02 4.316783528e+02 0.74 5.379791645e+02 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