# 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 = Ge3Si # 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 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 4.078568224e+03 nan nan 0.68 3.673965039e+03 nan nan 0.70 3.320493210e+03 nan nan 0.72 3.005122051e+03 4.073696766e+03 nan 0.74 2.720668591e+03 3.708748588e+03 4.097186897e+03 0.76 2.470451487e+03 3.382911880e+03 3.738048911e+03 0.78 2.247324498e+03 3.085776686e+03 3.416911602e+03 0.80 2.044663285e+03 2.820262646e+03 3.121180145e+03 0.82 1.860427108e+03 2.582657182e+03 2.847800109e+03 0.84 1.695736859e+03 2.357167723e+03 2.601968109e+03 0.86 1.546047887e+03 2.147540801e+03 2.388314291e+03 0.88 1.410120689e+03 1.961338517e+03 2.196255249e+03 0.90 1.292724308e+03 1.804617799e+03 2.022527540e+03 0.92 1.192450992e+03 1.669113189e+03 1.864671443e+03 0.94 1.096942118e+03 1.544066859e+03 1.720035702e+03 0.96 1.005605765e+03 1.425461001e+03 1.584133181e+03 0.98 9.210850771e+02 1.312962164e+03 1.459081047e+03 1.00 8.464008802e+02 1.209391891e+03 1.347181973e+03 1.02 7.805929847e+02 1.115337866e+03 1.248638919e+03 1.04 7.180962621e+02 1.030937272e+03 1.161827351e+03 1.06 6.561540913e+02 9.546305250e+02 1.080050030e+03 1.08 5.973296340e+02 8.858172285e+02 9.987871825e+02 1.10 5.447421858e+02 8.223274916e+02 9.190748921e+02 1.12 5.002260490e+02 7.598404907e+02 8.439656183e+02 1.14 4.643572613e+02 6.975615018e+02 7.769036451e+02 1.16 4.322629030e+02 6.380910046e+02 7.205885774e+02 1.18 4.024810239e+02 5.847697249e+02 6.719626304e+02 1.20 3.747907481e+02 5.395739824e+02 6.270523522e+02 1.22 3.475660378e+02 5.017764683e+02 5.854389193e+02 1.24 3.202386892e+02 4.681482613e+02 5.470276834e+02 1.26 2.936118336e+02 4.366677943e+02 5.103569654e+02 1.28 2.680580709e+02 4.072056715e+02 4.742936458e+02 1.30 2.445376811e+02 3.799920418e+02 4.388747413e+02 1.32 2.241446543e+02 3.550354361e+02 4.052208047e+02 1.34 2.070772683e+02 3.322568558e+02 3.745335074e+02 1.36 1.917686961e+02 3.113186982e+02 3.478285299e+02 1.38 1.779654200e+02 2.917255000e+02 3.248708644e+02 1.40 1.655071398e+02 2.731018055e+02 3.042888939e+02 1.42 1.536330323e+02 2.551655067e+02 2.844244750e+02 1.44 1.421814598e+02 2.378486758e+02 2.649425546e+02 1.46 1.313089959e+02 2.206697490e+02 2.462161859e+02 1.48 1.211737420e+02 2.033003695e+02 2.286312180e+02 1.50 1.118954101e+02 1.856988424e+02 2.125343914e+02 1.52 1.029084378e+02 1.685316028e+02 1.980242387e+02 1.54 9.390205096e+01 1.524118300e+02 1.851080622e+02 1.56 8.479884176e+01 1.378170726e+02 1.736983985e+02 1.58 7.553159524e+01 1.252596578e+02 1.630818764e+02 1.60 6.632673322e+01 1.153111048e+02 1.529325033e+02 1.62 5.760920671e+01 1.073318236e+02 1.426394548e+02 1.64 4.996755372e+01 1.003804086e+02 1.318060132e+02 1.66 4.406064386e+01 9.383868428e+01 1.204666196e+02 1.68 3.943144367e+01 8.753013608e+01 1.089655616e+02 1.70 3.571342586e+01 8.142240058e+01 9.765909776e+01 1.72 3.250091582e+01 7.552030067e+01 8.697644238e+01 1.74 2.968418367e+01 6.947847617e+01 7.749665413e+01 1.76 2.709568451e+01 6.327937918e+01 6.991117085e+01 1.78 2.468505329e+01 5.708789330e+01 6.419083635e+01 1.80 2.244117396e+01 5.108867148e+01 5.973307046e+01 1.82 2.035359285e+01 4.548346348e+01 5.566951247e+01 1.84 1.841248026e+01 4.047230597e+01 5.184776109e+01 1.86 1.660859420e+01 3.607736033e+01 4.825419869e+01 1.88 1.493324623e+01 3.239427976e+01 4.487595837e+01 1.90 1.337826921e+01 2.955508717e+01 4.170088273e+01 1.92 1.193598697e+01 2.717318742e+01 3.870707139e+01 1.94 1.059918564e+01 2.494258643e+01 3.583541084e+01 1.96 9.361086687e+00 2.285454125e+01 3.308098142e+01 1.98 8.215321436e+00 2.090079088e+01 3.044804191e+01 2.00 7.155907115e+00 1.907353044e+01 2.785490200e+01 2.02 6.177224236e+00 1.736538658e+01 2.524457684e+01 2.04 5.273995289e+00 1.576939426e+01 2.265945613e+01 2.06 4.441264661e+00 1.427897480e+01 2.014549699e+01 2.08 3.674379707e+00 1.288791500e+01 1.775150195e+01 2.10 2.968972916e+00 1.159034744e+01 1.552728218e+01 2.12 2.320945099e+00 1.038073180e+01 1.352015360e+01 2.14 1.726449554e+00 9.253837186e+00 1.174034485e+01 2.16 1.181877135e+00 8.204725365e+00 1.018638011e+01 2.18 6.838421955e-01 7.228734929e+00 8.886071142e+00 2.20 2.291693323e-01 6.321466280e+00 7.830682993e+00 2.22 -1.851190942e-01 5.478767416e+00 6.877618306e+00 2.24 -5.618147218e-01 4.696720483e+00 5.989649299e+00 2.26 -9.035342655e-01 3.971629031e+00 5.163003825e+00 2.28 -1.212729953e+00 3.300005963e+00 4.394112422e+00 2.30 -1.500280866e+00 2.678562116e+00 3.679597865e+00 2.32 -1.787191286e+00 2.104195458e+00 3.016265243e+00 2.34 -2.063539234e+00 1.573980861e+00 2.401092533e+00 2.36 -2.319155470e+00 1.085160418e+00 1.831221655e+00 2.38 -2.546935522e+00 6.351342819e-01 1.303949969e+00 2.40 -2.743677225e+00 2.106178239e-01 8.167222116e-01 2.42 -2.910079902e+00 -2.000193683e-01 3.671228290e-01 2.44 -3.049639857e+00 -5.990499120e-01 -4.713129484e-02 2.46 -3.166340516e+00 -9.951522298e-01 -4.281977451e-01 2.48 -3.244747248e+00 -1.381248887e+00 -7.781151329e-01 2.50 -3.256192942e+00 -1.751295688e+00 -1.098809320e+00 2.52 -3.187870303e+00 -2.100686762e+00 -1.392099327e+00 2.54 -3.046009289e+00 -2.425547956e+00 -1.659702941e+00 2.56 -2.856486267e+00 -2.721781349e+00 -1.903242042e+00 2.58 -2.629417554e+00 -2.984199687e+00 -2.124247650e+00 2.60 -2.374665826e+00 -3.206257654e+00 -2.324164725e+00 2.62 -2.105139484e+00 -3.380870152e+00 -2.504356715e+00 2.64 -1.836511065e+00 -3.502408378e+00 -2.666109876e+00 2.66 -1.586644647e+00 -3.579432873e+00 -2.810637364e+00 2.68 -1.374579214e+00 -3.624149548e+00 -2.939083129e+00 2.70 -1.218841386e+00 -3.644344155e+00 -3.052525600e+00 2.72 -1.134853157e+00 -3.656486335e+00 -3.151981186e+00 2.74 -1.115395004e+00 -3.661765220e+00 -3.238407592e+00 2.76 -1.101217901e+00 -3.657958853e+00 -3.312754124e+00 2.78 -1.086408285e+00 -3.629825420e+00 -3.373643988e+00 2.80 -1.071040225e+00 -3.574560322e+00 -3.415688043e+00 2.82 -1.044932751e+00 -3.481690038e+00 -3.431081319e+00 2.84 -9.987512591e-01 -3.338499525e+00 -3.406220290e+00 2.86 -9.343399379e-01 -3.142824910e+00 -3.327424428e+00 2.88 -8.541863843e-01 -2.894682519e+00 -3.183352323e+00 2.90 -7.613704143e-01 -2.597206163e+00 -2.966903538e+00 2.92 -6.594892196e-01 -2.257414277e+00 -2.676963472e+00 2.94 -5.525533529e-01 -1.886709445e+00 -2.319891528e+00 2.96 -4.448503839e-01 -1.501001584e+00 -1.910618994e+00 2.98 -3.407762578e-01 -1.120331720e+00 -1.473146692e+00 3.00 -2.446382192e-01 -7.678647652e-01 -1.040103485e+00 3.02 -1.604373460e-01 -4.681323718e-01 -6.508587256e-01 3.04 -9.164282188e-02 -2.444402702e-01 -3.475365952e-01 3.06 -4.097338738e-02 -1.077401062e-01 -1.568233522e-01 3.08 -1.020266699e-02 -2.707094717e-02 -4.018135273e-02 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 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