# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-Ge # implementation = Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_002 # composition = Ge # 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 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan 3.934603564e+03 nan nan nan nan 0.60 nan nan nan nan nan 3.494014578e+03 nan nan 4.103412610e+03 nan 0.62 nan nan nan nan nan 3.117114913e+03 nan nan 3.658683542e+03 nan 0.64 nan nan nan nan nan 2.799689072e+03 nan nan 3.270032415e+03 nan 0.66 nan 4.101706393e+03 nan nan nan 2.510602475e+03 4.179683709e+03 nan 2.925329373e+03 4.117214273e+03 0.68 nan 3.694927159e+03 nan nan nan 2.239827654e+03 3.769835181e+03 nan 2.624184897e+03 3.709054388e+03 0.70 nan 3.336970559e+03 nan nan nan 2.001409139e+03 3.406721054e+03 nan 2.366687451e+03 3.342005182e+03 0.72 nan 3.020970771e+03 4.092382128e+03 nan nan 1.801366477e+03 3.076468699e+03 nan 2.141145061e+03 3.014580728e+03 0.74 4.115263313e+03 2.734158265e+03 3.723335584e+03 4.116390500e+03 4.118315127e+03 1.629984049e+03 2.777465079e+03 3.846106887e+03 1.934955438e+03 2.735658750e+03 0.76 3.753731506e+03 2.482253877e+03 3.399243719e+03 3.749961226e+03 3.747807065e+03 1.481597579e+03 2.519510934e+03 3.508822212e+03 1.750262769e+03 2.497479570e+03 0.78 3.433110211e+03 2.258952298e+03 3.102533175e+03 3.423273333e+03 3.418747769e+03 1.347303471e+03 2.297360957e+03 3.202949691e+03 1.586222460e+03 2.274393785e+03 0.80 3.140010121e+03 2.056656853e+03 2.833062924e+03 3.132008140e+03 3.128338039e+03 1.221069284e+03 2.097595734e+03 2.922069619e+03 1.439907970e+03 2.064545945e+03 0.82 2.867956572e+03 1.871661138e+03 2.596635619e+03 2.869344376e+03 2.868332811e+03 1.108111264e+03 1.914631666e+03 2.666042649e+03 1.307227920e+03 1.876613174e+03 0.84 2.617722571e+03 1.707659164e+03 2.374984213e+03 2.628085084e+03 2.629966872e+03 1.007325307e+03 1.745530274e+03 2.437497947e+03 1.187218445e+03 1.716221714e+03 0.86 2.400210617e+03 1.560848691e+03 2.165990197e+03 2.408935707e+03 2.411957656e+03 9.165177315e+02 1.592019369e+03 2.234982733e+03 1.077655620e+03 1.573996436e+03 0.88 2.208233977e+03 1.424499430e+03 1.975213222e+03 2.211189323e+03 2.214526024e+03 8.320381489e+02 1.457597926e+03 2.053681264e+03 9.806399990e+02 1.443210684e+03 0.90 2.034685294e+03 1.302903590e+03 1.812480372e+03 2.033244219e+03 2.036718743e+03 7.566321170e+02 1.340214811e+03 1.889998173e+03 8.927270822e+02 1.322361658e+03 0.92 1.874956644e+03 1.197992138e+03 1.675431361e+03 1.871805680e+03 1.874380158e+03 6.927484756e+02 1.233429454e+03 1.740802702e+03 8.137835871e+02 1.209918184e+03 0.94 1.730895813e+03 1.102797972e+03 1.551946283e+03 1.725079072e+03 1.724080646e+03 6.364997095e+02 1.131801603e+03 1.604146494e+03 7.428660801e+02 1.109429137e+03 0.96 1.595426185e+03 1.011721642e+03 1.435177726e+03 1.590578153e+03 1.586429336e+03 5.846674682e+02 1.037061147e+03 1.476619048e+03 6.807847289e+02 1.015041297e+03 0.98 1.470058709e+03 9.272503440e+02 1.323777363e+03 1.469127223e+03 1.463949041e+03 5.353296955e+02 9.499724013e+02 1.361314324e+03 6.257780189e+02 9.282570963e+02 1.00 1.356684700e+03 8.523718240e+02 1.220297447e+03 1.358565333e+03 1.354828595e+03 4.892707120e+02 8.692609286e+02 1.258526351e+03 5.750407899e+02 8.503425366e+02 1.02 1.255156123e+03 7.861803741e+02 1.124326236e+03 1.257672142e+03 1.256070133e+03 4.446100070e+02 7.950821592e+02 1.166950238e+03 5.284795787e+02 7.797731453e+02 1.04 1.167171840e+03 7.249603338e+02 1.038528663e+03 1.167327191e+03 1.167021052e+03 4.033113222e+02 7.282007371e+02 1.083843538e+03 4.868947426e+02 7.190030354e+02 1.06 1.087381815e+03 6.650103723e+02 9.605490293e+02 1.085061760e+03 1.085705652e+03 3.654154805e+02 6.695321453e+02 1.003645178e+03 4.487498526e+02 6.643532407e+02 1.08 1.009020396e+03 6.068856888e+02 8.908275126e+02 1.007207284e+03 1.009089170e+03 3.327120394e+02 6.188784848e+02 9.243656151e+02 4.120777816e+02 6.151962058e+02 1.10 9.306823768e+02 5.537639330e+02 8.288472528e+02 9.313451727e+02 9.344882254e+02 3.070901682e+02 5.742977039e+02 8.489014416e+02 3.765438619e+02 5.718958083e+02 1.12 8.551631288e+02 5.070276580e+02 7.689263441e+02 8.586142052e+02 8.623548511e+02 2.849627539e+02 5.326678338e+02 7.806173589e+02 3.429189973e+02 5.325615831e+02 1.14 7.859142598e+02 4.679479897e+02 7.081866030e+02 7.911906948e+02 7.948573692e+02 2.628869192e+02 4.931382399e+02 7.213278760e+02 3.128906160e+02 4.961243136e+02 1.16 7.262093146e+02 4.351413349e+02 6.485455756e+02 7.312832215e+02 7.341215852e+02 2.410166991e+02 4.559182386e+02 6.699137853e+02 2.872392710e+02 4.610289283e+02 1.18 6.768573457e+02 4.052468152e+02 5.931691325e+02 6.793188145e+02 6.808379806e+02 2.201624523e+02 4.215554558e+02 6.241245151e+02 2.640667609e+02 4.254740652e+02 1.20 6.316609892e+02 3.774470147e+02 5.455245636e+02 6.317382816e+02 6.320256637e+02 2.012180865e+02 3.907206554e+02 5.814722734e+02 2.421468754e+02 3.906869815e+02 1.22 5.894853076e+02 3.509886473e+02 5.060749004e+02 5.877684827e+02 5.866386438e+02 1.849271074e+02 3.635154650e+02 5.413684218e+02 2.210740483e+02 3.580717628e+02 1.24 5.507099833e+02 3.251382405e+02 4.722165346e+02 5.475980496e+02 5.447323714e+02 1.708793569e+02 3.384499697e+02 5.043363760e+02 2.009523843e+02 3.290336817e+02 1.26 5.152415675e+02 2.994115408e+02 4.406563884e+02 5.108544404e+02 5.064788476e+02 1.575606706e+02 3.143404501e+02 4.697546439e+02 1.826607607e+02 3.044262067e+02 1.28 4.804120209e+02 2.740743584e+02 4.108888931e+02 4.756887679e+02 4.709655929e+02 1.448930919e+02 2.914013454e+02 4.359689081e+02 1.666734597e+02 2.814983252e+02 1.30 4.455771245e+02 2.500016814e+02 3.832047074e+02 4.418038654e+02 4.380306497e+02 1.331976334e+02 2.691820221e+02 4.036718172e+02 1.521767286e+02 2.579733257e+02 1.32 4.117634673e+02 2.282748142e+02 3.578245234e+02 4.096971752e+02 4.076308824e+02 1.227639231e+02 2.474387508e+02 3.737916745e+02 1.388813566e+02 2.346640979e+02 1.34 3.801385816e+02 2.095365362e+02 3.348221578e+02 3.797129788e+02 3.792873368e+02 1.137601239e+02 2.267340906e+02 3.464001037e+02 1.269627149e+02 2.126476881e+02 1.36 3.518812248e+02 1.938265620e+02 3.137861231e+02 3.527065493e+02 3.535318127e+02 1.058596076e+02 2.067883096e+02 3.219104512e+02 1.161088640e+02 1.932067412e+02 1.38 3.279185324e+02 1.801141882e+02 2.941143328e+02 3.293090856e+02 3.306995711e+02 9.852232514e+01 1.872799126e+02 3.001920600e+02 1.065638122e+02 1.776334426e+02 1.40 3.077693560e+02 1.678576065e+02 2.757088541e+02 3.091034096e+02 3.104373967e+02 9.170179824e+01 1.691026854e+02 2.802117734e+02 9.839695248e+01 1.656765913e+02 1.42 2.883768118e+02 1.561645611e+02 2.580979854e+02 2.897884818e+02 2.912000905e+02 8.536015740e+01 1.531891015e+02 2.608536847e+02 9.125611452e+01 1.543321192e+02 1.44 2.690908226e+02 1.447637280e+02 2.409739154e+02 2.708629761e+02 2.726350800e+02 7.946242677e+01 1.394908219e+02 2.421987662e+02 8.462101506e+01 1.431408530e+02 1.46 2.502569852e+02 1.338010025e+02 2.245319087e+02 2.525710648e+02 2.548851115e+02 7.397629542e+01 1.277663037e+02 2.246433485e+02 7.839654714e+01 1.322725889e+02 1.48 2.322666304e+02 1.234420082e+02 2.081948717e+02 2.349729679e+02 2.376792914e+02 6.855535733e+01 1.179354811e+02 2.085628123e+02 7.239535646e+01 1.219286264e+02 1.50 2.155222556e+02 1.138371912e+02 1.912096986e+02 2.180916899e+02 2.206611291e+02 6.281929795e+01 1.091664675e+02 1.942428638e+02 6.661484071e+01 1.123228223e+02 1.52 2.003886740e+02 1.045466195e+02 1.741991423e+02 2.023202964e+02 2.042519385e+02 5.696440621e+01 1.007440083e+02 1.815374858e+02 6.107293661e+01 1.036509819e+02 1.54 1.871129572e+02 9.549059085e+01 1.578241582e+02 1.880011915e+02 1.888894534e+02 5.119830594e+01 9.279111132e+01 1.699380307e+02 5.585292188e+01 9.604369470e+01 1.56 1.755947116e+02 8.682990611e+01 1.427179827e+02 1.752505359e+02 1.749063877e+02 4.574107760e+01 8.543635271e+01 1.593163143e+02 5.103793614e+01 8.944283227e+01 1.58 1.649067279e+02 7.811264949e+01 1.290794653e+02 1.635613166e+02 1.622159317e+02 4.084502376e+01 7.878958092e+01 1.489333432e+02 4.658239143e+01 8.334384079e+01 1.60 1.548624287e+02 6.947751504e+01 1.176285886e+02 1.529293964e+02 1.509963896e+02 3.678500369e+01 7.291367747e+01 1.387201975e+02 4.248685499e+01 7.764147091e+01 1.62 1.453976619e+02 6.129269176e+01 1.090213626e+02 1.433683988e+02 1.413391605e+02 3.376214707e+01 6.772598030e+01 1.282844183e+02 3.872315018e+01 7.230217741e+01 1.64 1.354796103e+02 5.396930773e+01 1.020061025e+02 1.336717209e+02 1.318638562e+02 3.131580459e+01 6.290351480e+01 1.173651582e+02 3.522202408e+01 6.698129159e+01 1.66 1.248179117e+02 4.800018941e+01 9.541480058e+01 1.233502195e+02 1.218825519e+02 2.903259310e+01 5.839647920e+01 1.063091656e+02 3.200169510e+01 6.157821107e+01 1.68 1.137484492e+02 4.291205583e+01 8.922224279e+01 1.127098423e+02 1.116712585e+02 2.690170970e+01 5.418481022e+01 9.547611451e+01 2.906817317e+01 5.620526958e+01 1.70 1.025999698e+02 3.840375831e+01 8.340472856e+01 1.020584857e+02 1.015170208e+02 2.491308326e+01 5.024971682e+01 8.528484495e+01 2.645699123e+01 5.098556789e+01 1.72 9.171612778e+01 3.462320591e+01 7.791257264e+01 9.172000587e+01 9.172389741e+01 2.304187704e+01 4.653476681e+01 7.627057543e+01 2.418116832e+01 4.605254573e+01 1.74 8.153132279e+01 3.136349145e+01 7.223160937e+01 8.204396850e+01 8.255662281e+01 2.100472425e+01 4.288381533e+01 6.864726579e+01 2.204499485e+01 4.154809111e+01 1.76 7.265757375e+01 2.839834243e+01 6.627407548e+01 7.353489649e+01 7.441222574e+01 1.875957849e+01 3.931507965e+01 6.253028220e+01 1.987566968e+01 3.760898315e+01 1.78 6.581859228e+01 2.576650413e+01 6.017886432e+01 6.678652007e+01 6.775445350e+01 1.637165644e+01 3.587153357e+01 5.802399598e+01 1.772200165e+01 3.433454916e+01 1.80 6.117179401e+01 2.345690249e+01 5.409256084e+01 6.192568057e+01 6.267957108e+01 1.387631186e+01 3.259966994e+01 5.401934548e+01 1.563710230e+01 3.168287997e+01 1.82 5.705477561e+01 2.132640985e+01 4.817915676e+01 5.756184116e+01 5.806890908e+01 1.127558747e+01 2.954713385e+01 5.025655687e+01 1.367208988e+01 2.926128811e+01 1.84 5.318115711e+01 1.934390034e+01 4.263869508e+01 5.347293365e+01 5.376471138e+01 8.557336864e+00 2.675914802e+01 4.672180461e+01 1.187589861e+01 2.699929712e+01 1.86 4.953729886e+01 1.750009702e+01 3.771795380e+01 4.966517598e+01 4.979305354e+01 5.758744662e+00 2.427240547e+01 4.340203684e+01 1.029463340e+01 2.488691262e+01 1.88 4.611031003e+01 1.578627579e+01 3.367917660e+01 4.613930216e+01 4.616829438e+01 3.115745135e+00 2.210662791e+01 4.026212642e+01 8.959172041e+00 2.291475697e+01 1.90 4.288800759e+01 1.419423338e+01 3.069942629e+01 4.288795431e+01 4.288790103e+01 1.531055239e+00 2.023952972e+01 3.722561809e+01 7.775160455e+00 2.107403115e+01 1.92 3.985887754e+01 1.271625711e+01 2.827258934e+01 3.985882767e+01 3.985877780e+01 9.970785882e-01 1.851283250e+01 3.429789890e+01 6.646380047e+00 1.935647904e+01 1.94 3.701203832e+01 1.134509644e+01 2.599852132e+01 3.701199167e+01 3.701194502e+01 5.040355428e-01 1.673190255e+01 3.149394268e+01 5.484492150e+00 1.775435387e+01 1.96 3.433720622e+01 1.007393603e+01 2.386844880e+01 3.433716261e+01 3.433711899e+01 4.945467486e-02 1.488004963e+01 2.883084466e+01 4.312798003e+00 1.626038679e+01 1.98 3.182465960e+01 8.896370479e+00 2.187407960e+01 3.182461886e+01 3.182457811e+01 -3.690001361e-01 1.300250479e+01 2.632640116e+01 3.153414478e+00 1.486775376e+01 2.00 2.935039837e+01 7.806380411e+00 2.000757701e+01 2.935036529e+01 2.935033220e+01 -7.535367415e-01 1.114218024e+01 2.392146713e+01 2.032281241e+00 1.343618503e+01 2.02 2.682152167e+01 6.798309961e+00 1.826153544e+01 2.682150444e+01 2.682148721e+01 -1.106241408e+00 9.340195791e+00 2.157040532e+01 9.892118186e-01 1.187054129e+01 2.04 2.427393734e+01 5.866845552e+00 1.662895732e+01 2.427394143e+01 2.427394552e+01 -1.429085164e+00 7.639735169e+00 1.930934397e+01 8.815338782e-02 1.022514448e+01 2.06 2.174608658e+01 5.006995886e+00 1.510323117e+01 2.174611444e+01 2.174614230e+01 -1.723929825e+00 6.091672539e+00 1.717434722e+01 -5.853246133e-01 8.545580328e+00 2.08 1.927972226e+01 4.214073076e+00 1.367811095e+01 1.927977357e+01 1.927982488e+01 -1.992533710e+00 4.757021184e+00 1.518031694e+01 -9.702747520e-01 6.864688708e+00 2.10 1.692159257e+01 3.483674869e+00 1.234769636e+01 1.692166483e+01 1.692173709e+01 -2.236557078e+00 3.698135677e+00 1.329699659e+01 -1.248108000e+00 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