# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Bere-A-Serra-A--Ga-N # implementation = SW_BereSerra_2006_GaN__MO_861114678890_000 # composition = GaN3 # 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 2024-11-27 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 nan nan nan 0.68 nan nan nan 0.70 7.138176669e+03 nan nan 0.72 6.028883399e+03 nan nan 0.74 5.114887540e+03 nan nan 0.76 4.356951732e+03 7.336411332e+03 nan 0.78 3.724164940e+03 6.259410303e+03 7.562786073e+03 0.80 3.188792453e+03 5.378067831e+03 6.490431130e+03 0.82 2.732645412e+03 4.650826350e+03 5.575487657e+03 0.84 2.343111299e+03 4.035106382e+03 4.792290554e+03 0.86 2.008509644e+03 3.500895273e+03 4.121833218e+03 0.88 1.720535202e+03 3.034582969e+03 3.549136125e+03 0.90 1.474031241e+03 2.629317145e+03 3.062162918e+03 0.92 1.263771646e+03 2.278548634e+03 2.649750527e+03 0.94 1.084331394e+03 1.974375429e+03 2.300365418e+03 0.96 9.313113240e+02 1.709186620e+03 2.002697155e+03 0.98 8.017596360e+02 1.478241782e+03 1.747886382e+03 1.00 6.931679542e+02 1.279483429e+03 1.530265208e+03 1.02 6.027494413e+02 1.111053564e+03 1.345486211e+03 1.04 5.272869494e+02 9.702868869e+02 1.188886918e+03 1.06 4.634559991e+02 8.536010981e+02 1.054936988e+03 1.08 4.085915924e+02 7.565830907e+02 9.380114953e+02 1.10 3.611342798e+02 6.743948250e+02 8.339160236e+02 1.12 3.201721915e+02 6.026020033e+02 7.407348116e+02 1.14 2.849267086e+02 5.380609726e+02 6.578719683e+02 1.16 2.545968105e+02 4.791453391e+02 5.848829755e+02 1.18 2.283543662e+02 4.253170274e+02 5.211381558e+02 1.20 2.054219521e+02 3.764728051e+02 4.657666098e+02 1.22 1.850871486e+02 3.325314986e+02 4.176479896e+02 1.24 1.666882174e+02 2.933559387e+02 3.754602841e+02 1.26 1.497158102e+02 2.587430477e+02 3.378286946e+02 1.28 1.339182238e+02 2.284195601e+02 3.035875817e+02 1.30 1.192386159e+02 2.020456524e+02 2.720330211e+02 1.32 1.056719131e+02 1.792318285e+02 2.429208097e+02 1.34 9.321225461e+01 1.595720282e+02 2.162085650e+02 1.36 8.184847044e+01 1.426833259e+02 1.918728146e+02 1.38 7.156259206e+01 1.282220054e+02 1.698744878e+02 1.40 6.232833169e+01 1.158558354e+02 1.501554309e+02 1.42 5.410957859e+01 1.052346656e+02 1.326360356e+02 1.44 4.685899074e+01 9.600054966e+01 1.172133522e+02 1.46 4.051683273e+01 8.781660033e+01 1.037599957e+02 1.48 3.501034137e+01 8.039157521e+01 9.212431400e+01 1.50 3.025411382e+01 7.350295631e+01 8.213250152e+01 1.52 2.615229450e+01 6.702125897e+01 7.359346203e+01 1.54 2.260354572e+01 6.090120815e+01 6.630685139e+01 1.56 1.950949992e+01 5.513514635e+01 6.007317943e+01 1.58 1.678584426e+01 4.972068794e+01 5.470213815e+01 1.60 1.437191550e+01 4.465505089e+01 5.001492723e+01 1.62 1.223179919e+01 3.993476088e+01 4.584404129e+01 1.64 1.034396025e+01 3.555537415e+01 4.204161103e+01 1.66 8.688680282e+00 3.151118966e+01 3.849689579e+01 1.68 7.243579060e+00 2.779495913e+01 3.514813563e+01 1.70 5.983852512e+00 2.439760334e+01 3.197407524e+01 1.72 4.883114623e+00 2.130794945e+01 2.897071354e+01 1.74 3.914742337e+00 1.851251210e+01 2.613634890e+01 1.76 3.053812705e+00 1.599535307e+01 2.346914508e+01 1.78 2.279408091e+00 1.373806948e+01 2.096713864e+01 1.80 1.576590848e+00 1.171997802e+01 1.862816276e+01 1.82 9.369195358e-01 9.918577794e+00 1.644976422e+01 1.84 3.567788441e-01 8.310373470e+00 1.442912195e+01 1.86 -1.654300756e-01 6.872101021e+00 1.256296852e+01 1.88 -6.310478325e-01 5.582282548e+00 1.084751617e+01 1.90 -1.041536820e+00 4.422819362e+00 9.278389678e+00 1.92 -1.398503853e+00 3.380062511e+00 7.850568933e+00 1.94 -1.703710553e+00 2.444719602e+00 6.558344683e+00 1.96 -1.959088740e+00 1.610461718e+00 5.395291847e+00 1.98 -2.166752029e+00 8.720876499e-01 4.354265527e+00 2.00 -2.329000996e+00 2.243523687e-01 3.427425917e+00 2.02 -2.448320322e+00 -3.383822908e-01 2.606299389e+00 2.04 -2.527366300e+00 -8.221196202e-01 1.881884266e+00 2.06 -2.568943384e+00 -1.233117113e+00 1.244810731e+00 2.08 -2.575969203e+00 -1.577740847e+00 6.855645391e-01 2.10 -2.551429027e+00 -1.862281750e+00 1.947819613e-01 2.12 -2.498323467e+00 -2.092741699e+00 -2.363841190e-01 2.14 -2.419617469e+00 -2.274611086e+00 -6.158443762e-01 2.16 -2.318204299e+00 -2.412678757e+00 -9.501492760e-01 2.18 -2.196903315e+00 -2.510937209e+00 -1.244158785e+00 2.20 -2.058509890e+00 -2.572656618e+00 -1.500948854e+00 2.22 -1.905900718e+00 -2.600670907e+00 -1.722090934e+00 2.24 -1.742160281e+00 -2.597813283e+00 -1.908302557e+00 2.26 -1.570650030e+00 -2.567283911e+00 -2.060193108e+00 2.28 -1.394951959e+00 -2.512707632e+00 -2.178678363e+00 2.30 -1.218723764e+00 -2.437917734e+00 -2.264968074e+00 2.32 -1.045568408e+00 -2.346740868e+00 -2.320455794e+00 2.34 -8.789359692e-01 -2.242866790e+00 -2.346685125e+00 2.36 -7.220252389e-01 -2.129732130e+00 -2.345348488e+00 2.38 -5.776767102e-01 -2.010398403e+00 -2.318290906e+00 2.40 -4.482598152e-01 -1.887434302e+00 -2.267512159e+00 2.42 -3.355595175e-01 -1.762820645e+00 -2.195166034e+00 2.44 -2.406695488e-01 -1.637903946e+00 -2.103556081e+00 2.46 -1.639025316e-01 -1.513429865e+00 -1.995127306e+00 2.48 -1.047312495e-01 -1.389683540e+00 -1.872453199e+00 2.50 -6.178051645e-02 -1.266739188e+00 -1.738217504e+00 2.52 -3.289461280e-02 -1.144767844e+00 -1.595190177e+00 2.54 -1.530775635e-02 -1.024285184e+00 -1.446197061e+00 2.56 -5.936764935e-03 -9.062070322e-01 -1.294082944e+00 2.58 -1.783314381e-03 -7.916995905e-01 -1.141667844e+00 2.60 -3.684274265e-04 -6.819859167e-01 -9.916966557e-01 2.62 -4.259914246e-05 -5.782440824e-01 -8.467826102e-01 2.64 -1.863284642e-06 -4.815657585e-01 -7.093454401e-01 2.66 -1.322450584e-08 -3.929220563e-01 -5.815456351e-01 2.68 -1.635513500e-12 -3.131264819e-01 -4.652167827e-01 2.70 -7.858145749e-22 -2.427956000e-01 -3.617986905e-01 2.72 -4.784289481e-73 -1.823091242e-01 -2.722748495e-01 2.74 0.000000000e+00 -1.317721565e-01 -1.971188793e-01 2.76 0.000000000e+00 -9.098368431e-02 -1.362560205e-01 2.78 0.000000000e+00 -5.941720494e-02 -8.904757447e-02 2.80 0.000000000e+00 -3.622133949e-02 -5.430835388e-02 2.82 0.000000000e+00 -2.024993208e-02 -3.036908352e-02 2.84 0.000000000e+00 -1.013112221e-02 -1.519558789e-02 2.86 0.000000000e+00 -4.380913807e-03 -6.571225224e-03 2.88 0.000000000e+00 -1.555832602e-03 -2.333736853e-03 2.90 0.000000000e+00 -4.196674476e-04 -6.295006555e-04 2.92 0.000000000e+00 -7.580633904e-05 -1.137095001e-04 2.94 0.000000000e+00 -7.383427808e-06 -1.107514168e-05 2.96 0.000000000e+00 -2.580618799e-07 -3.870928199e-07 2.98 0.000000000e+00 -1.361464941e-09 -2.042197411e-09 3.00 0.000000000e+00 -1.172333772e-13 -1.758500658e-13 3.02 0.000000000e+00 -5.724737758e-23 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