# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-Ge # implementation = Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_003 # composition = GeSi3 # 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 2022-10-04 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 4.047343243e+03 nan nan 0.68 3.645530896e+03 nan nan 0.70 3.287930051e+03 nan nan 0.72 2.969350242e+03 4.039005153e+03 nan 0.74 2.690352070e+03 3.678952614e+03 4.061991683e+03 0.76 2.442172777e+03 3.350667292e+03 3.706796059e+03 0.78 2.217893346e+03 3.054996577e+03 3.383218438e+03 0.80 2.015414915e+03 2.793737638e+03 3.083026169e+03 0.82 1.836211017e+03 2.550103724e+03 2.810337439e+03 0.84 1.676473410e+03 2.320548210e+03 2.573000789e+03 0.86 1.530435202e+03 2.113534287e+03 2.363977251e+03 0.88 1.399260046e+03 1.938397743e+03 2.173085072e+03 0.90 1.281239484e+03 1.789821706e+03 1.999960520e+03 0.92 1.173507339e+03 1.654843327e+03 1.842929555e+03 0.94 1.073618331e+03 1.526643394e+03 1.696180135e+03 0.96 9.836549733e+02 1.405781846e+03 1.561109016e+03 0.98 9.043594867e+02 1.292500905e+03 1.438493806e+03 1.00 8.327941129e+02 1.189823705e+03 1.330899560e+03 1.02 7.654374927e+02 1.098317293e+03 1.236829778e+03 1.04 7.007093817e+02 1.015961460e+03 1.149052373e+03 1.06 6.393751110e+02 9.423944087e+02 1.062069468e+03 1.08 5.836777180e+02 8.739806572e+02 9.764625486e+02 1.10 5.352403711e+02 8.065541096e+02 8.958020077e+02 1.12 4.936881885e+02 7.397025030e+02 8.236090544e+02 1.14 4.585190452e+02 6.758603594e+02 7.625370793e+02 1.16 4.265498937e+02 6.186645496e+02 7.103478872e+02 1.18 3.960836452e+02 5.704266420e+02 6.623844147e+02 1.20 3.671519374e+02 5.297606782e+02 6.180428006e+02 1.22 3.389648483e+02 4.937584402e+02 5.771748827e+02 1.24 3.106929944e+02 4.601859909e+02 5.380240411e+02 1.26 2.833818817e+02 4.288540902e+02 4.990939529e+02 1.28 2.581985515e+02 4.000052445e+02 4.612074803e+02 1.30 2.357609883e+02 3.737455521e+02 4.254107032e+02 1.32 2.165872800e+02 3.496470819e+02 3.929854747e+02 1.34 2.009960886e+02 3.273159514e+02 3.650380920e+02 1.36 1.871340013e+02 3.065062805e+02 3.411857850e+02 1.38 1.737896205e+02 2.866634373e+02 3.190149689e+02 1.40 1.609866405e+02 2.674952714e+02 2.974508174e+02 1.42 1.487740854e+02 2.489300719e+02 2.766055067e+02 1.44 1.372381884e+02 2.303649302e+02 2.567085204e+02 1.46 1.261577790e+02 2.114168309e+02 2.381909890e+02 1.48 1.150953334e+02 1.924147592e+02 2.214290703e+02 1.50 1.043949122e+02 1.741083651e+02 2.066555270e+02 1.52 9.417164583e+01 1.571033925e+02 1.934202783e+02 1.54 8.437794752e+01 1.419545892e+02 1.812358416e+02 1.56 7.501272972e+01 1.292530377e+02 1.700390063e+02 1.58 6.644122005e+01 1.193449133e+02 1.590335451e+02 1.60 5.920205220e+01 1.113190256e+02 1.477071701e+02 1.62 5.321417421e+01 1.040475038e+02 1.356742205e+02 1.64 4.763007583e+01 9.722116427e+01 1.232506754e+02 1.66 4.255725709e+01 9.077530066e+01 1.108163161e+02 1.68 3.815419198e+01 8.422151988e+01 9.878343317e+01 1.70 3.447149222e+01 7.750885279e+01 8.768407840e+01 1.72 3.110018661e+01 7.075370150e+01 7.823165278e+01 1.74 2.797588381e+01 6.395882502e+01 7.106306781e+01 1.76 2.514468054e+01 5.725235729e+01 6.561925368e+01 1.78 2.264734770e+01 5.085422354e+01 6.113880365e+01 1.80 2.047287206e+01 4.502914221e+01 5.692732885e+01 1.82 1.847329136e+01 4.005769821e+01 5.296888173e+01 1.84 1.661681643e+01 3.613963587e+01 4.924908943e+01 1.86 1.489429796e+01 3.283081262e+01 4.575437800e+01 1.88 1.329714054e+01 2.988092451e+01 4.247192808e+01 1.90 1.181727009e+01 2.732832406e+01 3.938963312e+01 1.92 1.044710321e+01 2.503462018e+01 3.646411395e+01 1.94 9.179518255e+00 2.288930902e+01 3.353645433e+01 1.96 8.007828138e+00 2.088370833e+01 3.061268197e+01 1.98 6.925754653e+00 1.900961934e+01 2.772587829e+01 2.00 5.927404323e+00 1.725930046e+01 2.488199457e+01 2.02 5.007245633e+00 1.562544258e+01 2.209860808e+01 2.04 4.160087589e+00 1.410114550e+01 1.943170814e+01 2.06 3.381059518e+00 1.267989575e+01 1.694293471e+01 2.08 2.665592040e+00 1.135554552e+01 1.469569407e+01 2.10 2.009399155e+00 1.012229280e+01 1.274601908e+01 2.12 1.408461362e+00 8.974662489e+00 1.112959483e+01 2.14 8.590097672e-01 7.907488565e+00 9.759467055e+00 2.16 3.575111135e-01 6.915897221e+00 8.518976813e+00 2.18 -9.934631147e-02 5.995290880e+00 7.414142221e+00 2.20 -5.146659491e-01 5.141333077e+00 6.439092704e+00 2.22 -9.064894228e-01 4.349934154e+00 5.542438527e+00 2.24 -1.302024185e+00 3.617237721e+00 4.708903804e+00 2.26 -1.687193405e+00 2.939607848e+00 3.934770427e+00 2.28 -2.048477640e+00 2.313616938e+00 3.216522462e+00 2.30 -2.376101807e+00 1.736034267e+00 2.550835618e+00 2.32 -2.665064488e+00 1.203815122e+00 1.934567260e+00 2.34 -2.915074126e+00 7.139731066e-01 1.364746921e+00 2.36 -3.129081874e+00 2.472461157e-01 8.385673037e-01 2.38 -3.310401824e+00 -2.052518845e-01 3.533757323e-01 2.40 -3.459141337e+00 -6.500925441e-01 -9.333395334e-02 2.42 -3.569981850e+00 -1.093306807e+00 -5.039290956e-01 2.44 -3.634565651e+00 -1.525891822e+00 -8.806455223e-01 2.46 -3.654867358e+00 -1.940685863e+00 -1.225594477e+00 2.48 -3.643497727e+00 -2.332054449e+00 -1.540769198e+00 2.50 -3.587000071e+00 -2.695085624e+00 -1.828051153e+00 2.52 -3.483923211e+00 -3.024539500e+00 -2.089215967e+00 2.54 -3.335052509e+00 -3.313966929e+00 -2.325939031e+00 2.56 -3.143959334e+00 -3.555583047e+00 -2.539800839e+00 2.58 -2.917362002e+00 -3.741404060e+00 -2.732292037e+00 2.60 -2.665239661e+00 -3.865761107e+00 -2.904818220e+00 2.62 -2.400653707e+00 -3.942940569e+00 -3.058704481e+00 2.64 -2.139229527e+00 -3.983534877e+00 -3.195199724e+00 2.66 -1.898220064e+00 -4.000886299e+00 -3.315480753e+00 2.68 -1.695005765e+00 -4.010266485e+00 -3.420656156e+00 2.70 -1.544865980e+00 -4.012332533e+00 -3.511769977e+00 2.72 -1.443407723e+00 -3.997202789e+00 -3.590844295e+00 2.74 -1.368601439e+00 -3.953814847e+00 -3.654865096e+00 2.76 -1.273395578e+00 -3.878744530e+00 -3.697167135e+00 2.78 -1.156891757e+00 -3.754150785e+00 -3.706570126e+00 2.80 -1.024043312e+00 -3.573870222e+00 -3.666667387e+00 2.82 -8.803908226e-01 -3.335773356e+00 -3.562135323e+00 2.84 -7.318425526e-01 -3.040642947e+00 -3.381165980e+00 2.86 -5.844320719e-01 -2.693206827e+00 -3.117559970e+00 2.88 -4.440600970e-01 -2.302940495e+00 -2.772620365e+00 2.90 -3.162305135e-01 -1.884523518e+00 -2.356739699e+00 2.92 -2.057932093e-01 -1.457811469e+00 -1.890511260e+00 2.94 -1.167082716e-01 -1.047159400e+00 -1.405067665e+00 2.96 -5.184676681e-02 -6.799193982e-01 -9.411374066e-01 2.98 -1.284203297e-02 -3.839580973e-01 -5.460333398e-01 3.00 0.000000000e+00 -1.841034401e-01 -2.675586952e-01 3.02 0.000000000e+00 -6.634353273e-02 -9.806675812e-02 3.04 0.000000000e+00 -6.956776749e-03 -1.040757593e-02 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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