# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-Ge # implementation = 1989--Tersoff-J--Si-Ge--LAMMPS--ipr1 # composition = GeSi # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan 3.894963519e+03 3.894963519e+03 nan nan 0.60 nan nan nan nan 3.460967548e+03 3.460967548e+03 nan nan 0.62 nan nan nan nan 3.095532430e+03 3.095532430e+03 nan nan 0.64 nan nan nan nan 2.772349305e+03 2.772349305e+03 nan nan 0.66 4.075377040e+03 4.075377040e+03 nan nan 2.474247423e+03 2.474247423e+03 nan nan 0.68 3.669865783e+03 3.669865783e+03 nan nan 2.206456778e+03 2.206456778e+03 nan nan 0.70 3.302753747e+03 3.302753747e+03 nan nan 1.977550959e+03 1.977550959e+03 nan nan 0.72 2.984387720e+03 2.984387720e+03 4.055242309e+03 4.055242309e+03 1.781595470e+03 1.781595470e+03 nan nan 0.74 2.713019624e+03 2.713019624e+03 3.693314819e+03 3.693314819e+03 1.615241787e+03 1.615241787e+03 3.923651298e+03 3.923651298e+03 0.76 2.471452304e+03 2.471452304e+03 3.367053020e+03 3.367053020e+03 1.465836467e+03 1.465836467e+03 3.579307543e+03 3.579307543e+03 0.78 2.244979901e+03 2.244979901e+03 3.070525791e+03 3.070525791e+03 1.328194723e+03 1.328194723e+03 3.262059829e+03 3.262059829e+03 0.80 2.037401475e+03 2.037401475e+03 2.805857022e+03 2.805857022e+03 1.203816428e+03 1.203816428e+03 2.973474400e+03 2.973474400e+03 0.82 1.855538652e+03 1.855538652e+03 2.567437356e+03 2.567437356e+03 1.093968879e+03 1.093968879e+03 2.716505259e+03 2.716505259e+03 0.84 1.698647321e+03 1.698647321e+03 2.339634233e+03 2.339634233e+03 9.921188445e+02 9.921188445e+02 2.487716059e+03 2.487716059e+03 0.86 1.556207721e+03 1.556207721e+03 2.130698545e+03 2.130698545e+03 8.991701134e+02 8.991701134e+02 2.279626666e+03 2.279626666e+03 0.88 1.422703660e+03 1.422703660e+03 1.948699257e+03 1.948699257e+03 8.162219284e+02 8.162219284e+02 2.093416681e+03 2.093416681e+03 0.90 1.300649365e+03 1.300649365e+03 1.796888416e+03 1.796888416e+03 7.460203001e+02 7.460203001e+02 1.925630503e+03 1.925630503e+03 0.92 1.191787267e+03 1.191787267e+03 1.662941287e+03 1.662941287e+03 6.847582093e+02 6.847582093e+02 1.773602499e+03 1.773602499e+03 0.94 1.090871805e+03 1.090871805e+03 1.536295264e+03 1.536295264e+03 6.277824886e+02 6.277824886e+02 1.632841746e+03 1.632841746e+03 0.96 9.960761451e+02 9.960761451e+02 1.415786301e+03 1.415786301e+03 5.741299159e+02 5.741299159e+02 1.503753810e+03 1.503753810e+03 0.98 9.090949227e+02 9.090949227e+02 1.302147445e+03 1.302147445e+03 5.225987337e+02 5.225987337e+02 1.388224251e+03 1.388224251e+03 1.00 8.323979227e+02 8.323979227e+02 1.198497142e+03 1.198497142e+03 4.745217677e+02 4.745217677e+02 1.285493773e+03 1.285493773e+03 1.02 7.666342363e+02 7.666342363e+02 1.106408438e+03 1.106408438e+03 4.305886208e+02 4.305886208e+02 1.192114797e+03 1.192114797e+03 1.04 7.083032948e+02 7.083032948e+02 1.023418842e+03 1.023418842e+03 3.907929623e+02 3.907929623e+02 1.103452263e+03 1.103452263e+03 1.06 6.556039635e+02 6.556039635e+02 9.481456047e+02 9.481456047e+02 3.562578664e+02 3.562578664e+02 1.018954663e+03 1.018954663e+03 1.08 6.082982555e+02 6.082982555e+02 8.789709569e+02 8.789709569e+02 3.271552465e+02 3.271552465e+02 9.376205529e+02 9.376205529e+02 1.10 5.656523961e+02 5.656523961e+02 8.147086314e+02 8.147086314e+02 3.024623714e+02 3.024623714e+02 8.618649447e+02 8.618649447e+02 1.12 5.257198911e+02 5.257198911e+02 7.505304991e+02 7.505304991e+02 2.787468918e+02 2.787468918e+02 7.945909577e+02 7.945909577e+02 1.14 4.870081211e+02 4.870081211e+02 6.876053916e+02 6.876053916e+02 2.552504711e+02 2.552504711e+02 7.351018582e+02 7.351018582e+02 1.16 4.494730908e+02 4.494730908e+02 6.291814524e+02 6.291814524e+02 2.328597397e+02 2.328597397e+02 6.828313284e+02 6.828313284e+02 1.18 4.130148747e+02 4.130148747e+02 5.774893033e+02 5.774893033e+02 2.124690984e+02 2.124690984e+02 6.362280575e+02 6.362280575e+02 1.20 3.790525694e+02 3.790525694e+02 5.336227590e+02 5.336227590e+02 1.946012157e+02 1.946012157e+02 5.926987454e+02 5.926987454e+02 1.22 3.489044783e+02 3.489044783e+02 4.975327839e+02 4.975327839e+02 1.795678066e+02 1.795678066e+02 5.514543084e+02 5.514543084e+02 1.24 3.223757930e+02 3.223757930e+02 4.641357229e+02 4.641357229e+02 1.655143133e+02 1.655143133e+02 5.119945356e+02 5.119945356e+02 1.26 2.962917863e+02 2.962917863e+02 4.327316102e+02 4.327316102e+02 1.522359499e+02 1.522359499e+02 4.750616349e+02 4.750616349e+02 1.28 2.708570799e+02 2.708570799e+02 4.035756750e+02 4.035756750e+02 1.400432662e+02 1.400432662e+02 4.408702898e+02 4.408702898e+02 1.30 2.458715415e+02 2.458715415e+02 3.768365897e+02 3.768365897e+02 1.291797059e+02 1.291797059e+02 4.092155631e+02 4.092155631e+02 1.32 2.224598903e+02 2.224598903e+02 3.523069460e+02 3.523069460e+02 1.195163031e+02 1.195163031e+02 3.801601605e+02 3.801601605e+02 1.34 2.020394478e+02 2.020394478e+02 3.297520760e+02 3.297520760e+02 1.108967490e+02 1.108967490e+02 3.536409201e+02 3.536409201e+02 1.36 1.859148592e+02 1.859148592e+02 3.088499160e+02 3.088499160e+02 1.031305675e+02 1.031305675e+02 3.288746578e+02 3.288746578e+02 1.38 1.730184516e+02 1.730184516e+02 2.889369746e+02 2.889369746e+02 9.591940572e+01 9.591940572e+01 3.055293284e+02 3.055293284e+02 1.40 1.607453073e+02 1.607453073e+02 2.700028201e+02 2.700028201e+02 8.921960304e+01 8.921960304e+01 2.839816893e+02 2.839816893e+02 1.42 1.489299239e+02 1.489299239e+02 2.519323970e+02 2.519323970e+02 8.299345211e+01 8.299345211e+01 2.641828230e+02 2.641828230e+02 1.44 1.375568592e+02 1.375568592e+02 2.346462545e+02 2.346462545e+02 7.718627542e+01 7.718627542e+01 2.455075658e+02 2.455075658e+02 1.46 1.268360164e+02 1.268360164e+02 2.169277428e+02 2.169277428e+02 7.119487477e+01 7.119487477e+01 2.281606933e+02 2.281606933e+02 1.48 1.169696157e+02 1.169696157e+02 1.986692925e+02 1.986692925e+02 6.491025403e+01 6.491025403e+01 2.122589888e+02 2.122589888e+02 1.50 1.081124498e+02 1.081124498e+02 1.805601483e+02 1.805601483e+02 5.856089214e+01 5.856089214e+01 1.979794046e+02 1.979794046e+02 1.52 1.001666591e+02 1.001666591e+02 1.631070158e+02 1.631070158e+02 5.238043054e+01 5.238043054e+01 1.850400132e+02 1.850400132e+02 1.54 9.299782791e+01 9.299782791e+01 1.468840282e+02 1.468840282e+02 4.662221027e+01 4.662221027e+01 1.732129261e+02 1.732129261e+02 1.56 8.656109475e+01 8.656109475e+01 1.327729869e+02 1.327729869e+02 4.157829707e+01 4.157829707e+01 1.622051184e+02 1.622051184e+02 1.58 8.058383993e+01 8.058383993e+01 1.213767416e+02 1.213767416e+02 3.754435508e+01 3.754435508e+01 1.508364518e+02 1.508364518e+02 1.60 7.488433785e+01 7.488433785e+01 1.130110341e+02 1.130110341e+02 3.461815827e+01 3.461815827e+01 1.390640192e+02 1.390640192e+02 1.62 6.906830947e+01 6.906830947e+01 1.056753951e+02 1.056753951e+02 3.207312644e+01 3.207312644e+01 1.270923262e+02 1.270923262e+02 1.64 6.320996720e+01 6.320996720e+01 9.878679160e+01 9.878679160e+01 2.969974317e+01 2.969974317e+01 1.152785565e+02 1.152785565e+02 1.66 5.744053193e+01 5.744053193e+01 9.229341401e+01 9.229341401e+01 2.747206634e+01 2.747206634e+01 1.038201819e+02 1.038201819e+02 1.68 5.190216564e+01 5.190216564e+01 8.586466235e+01 8.586466235e+01 2.520504399e+01 2.520504399e+01 9.304682898e+01 9.304682898e+01 1.70 4.674796449e+01 4.674796449e+01 7.945917561e+01 7.945917561e+01 2.288142237e+01 2.288142237e+01 8.352032044e+01 8.352032044e+01 1.72 4.213563206e+01 4.213563206e+01 7.313710199e+01 7.313710199e+01 2.053042351e+01 2.053042351e+01 7.583506905e+01 7.583506905e+01 1.74 3.820336840e+01 3.820336840e+01 6.672504995e+01 6.672504995e+01 1.802898242e+01 1.802898242e+01 6.940549697e+01 6.940549697e+01 1.76 3.502646390e+01 3.502646390e+01 6.027722665e+01 6.027722665e+01 1.535879302e+01 1.535879302e+01 6.377413193e+01 6.377413193e+01 1.78 3.233881348e+01 3.233881348e+01 5.398536520e+01 5.398536520e+01 1.255298829e+01 1.255298829e+01 5.874998965e+01 5.874998965e+01 1.80 2.982986457e+01 2.982986457e+01 4.807327759e+01 4.807327759e+01 9.674784928e+00 9.674784928e+00 5.429626716e+01 5.429626716e+01 1.82 2.748803776e+01 2.748803776e+01 4.278135869e+01 4.278135869e+01 6.926300681e+00 6.926300681e+00 5.041648909e+01 5.041648909e+01 1.84 2.530277085e+01 2.530277085e+01 3.830946617e+01 3.830946617e+01 4.813283498e+00 4.813283498e+00 4.684296818e+01 4.684296818e+01 1.86 2.326415908e+01 2.326415908e+01 3.445016792e+01 3.445016792e+01 3.080006294e+00 3.080006294e+00 4.343095081e+01 4.343095081e+01 1.88 2.136291409e+01 2.136291409e+01 3.112888138e+01 3.112888138e+01 1.452481587e+00 1.452481587e+00 4.012707706e+01 4.012707706e+01 1.90 1.959032556e+01 1.959032556e+01 2.843162834e+01 2.843162834e+01 3.972874052e-01 3.972874052e-01 3.694369687e+01 3.694369687e+01 1.92 1.791293196e+01 1.791293196e+01 2.609400586e+01 2.609400586e+01 -9.337576581e-02 -9.337576581e-02 3.387892499e+01 3.387892499e+01 1.94 1.620927134e+01 1.620927134e+01 2.390622843e+01 2.390622843e+01 -5.445271297e-01 -5.445271297e-01 3.088682569e+01 3.088682569e+01 1.96 1.449196741e+01 1.449196741e+01 2.185958336e+01 2.185958336e+01 -9.586037670e-01 -9.586037670e-01 2.799735546e+01 2.799735546e+01 1.98 1.279025849e+01 1.279025849e+01 1.994584069e+01 1.994584069e+01 -1.337907455e+00 -1.337907455e+00 2.525146068e+01 2.525146068e+01 2.00 1.105768262e+01 1.105768262e+01 1.815722710e+01 1.815722710e+01 -1.684611782e+00 -1.684611782e+00 2.268087904e+01 2.268087904e+01 2.02 9.262754467e+00 9.262754467e+00 1.648640126e+01 1.648640126e+01 -2.000768906e+00 -2.000768906e+00 2.029375874e+01 2.029375874e+01 2.04 7.446813126e+00 7.446813126e+00 1.492643050e+01 1.492643050e+01 -2.288315958e+00 -2.288315958e+00 1.812287158e+01 1.812287158e+01 2.06 5.654140885e+00 5.654140885e+00 1.347076865e+01 1.347076865e+01 -2.549081128e+00 -2.549081128e+00 1.616386801e+01 1.616386801e+01 2.08 3.948861267e+00 3.948861267e+00 1.211323513e+01 1.211323513e+01 -2.784789436e+00 -2.784789436e+00 1.435371473e+01 1.435371473e+01 2.10 2.431182981e+00 2.431182981e+00 1.084799515e+01 1.084799515e+01 -2.997068205e+00 -2.997068205e+00 1.269196506e+01 1.269196506e+01 2.12 1.220112276e+00 1.220112276e+00 9.669540934e+00 9.669540934e+00 -3.187452257e+00 -3.187452257e+00 1.118804202e+01 1.118804202e+01 2.14 2.509192846e-01 2.509192846e-01 8.572673949e+00 8.572673949e+00 -3.357388842e+00 -3.357388842e+00 9.790236808e+00 9.790236808e+00 2.16 -5.975640049e-01 -5.975640049e-01 7.552488113e+00 7.552488113e+00 -3.508242313e+00 -3.508242313e+00 8.493235681e+00 8.493235681e+00 2.18 -1.234487067e+00 -1.234487067e+00 6.604353869e+00 6.604353869e+00 -3.641298558e+00 -3.641298558e+00 7.306599934e+00 7.306599934e+00 2.20 -1.601119660e+00 -1.601119660e+00 5.723903126e+00 5.723903126e+00 -3.757769212e+00 -3.757769212e+00 6.236702722e+00 6.236702722e+00 2.22 -1.889000207e+00 -1.889000207e+00 4.907014997e+00 4.907014997e+00 -3.858795642e+00 -3.858795642e+00 5.279512033e+00 5.279512033e+00 2.24 -2.150720451e+00 -2.150720451e+00 4.149802307e+00 4.149802307e+00 -3.945452730e+00 -3.945452730e+00 4.411008601e+00 4.411008601e+00 2.26 -2.387954000e+00 -2.387954000e+00 3.448598814e+00 3.448598814e+00 -4.018752465e+00 -4.018752465e+00 3.628928953e+00 3.628928953e+00 2.28 -2.602279962e+00 -2.602279962e+00 2.799947126e+00 2.799947126e+00 -4.079647342e+00 -4.079647342e+00 2.930928015e+00 2.930928015e+00 2.30 -2.795187965e+00 -2.795187965e+00 2.200587253e+00 2.200587253e+00 -4.129033590e+00 -4.129033590e+00 2.299881042e+00 2.299881042e+00 2.32 -2.968082917e+00 -2.968082917e+00 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