# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Bere-A-Serra-A--Ga-N # implementation = 2006--Bere-A--Ga-N--LAMMPS--ipr1 # 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 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 nan nan nan 0.68 nan nan nan 0.70 7.138176633e+03 nan nan 0.72 6.028883369e+03 nan nan 0.74 5.114887515e+03 nan nan 0.76 4.356951710e+03 7.336411295e+03 nan 0.78 nan 6.259410273e+03 7.562786035e+03 0.80 3.188792437e+03 5.378067804e+03 6.490431097e+03 0.82 2.732645398e+03 4.650826327e+03 5.575487630e+03 0.84 2.343111287e+03 4.035106362e+03 4.792290530e+03 0.86 2.008509634e+03 3.500895255e+03 4.121833198e+03 0.88 1.720535194e+03 3.034582954e+03 3.549136107e+03 0.90 1.474031233e+03 2.629317132e+03 3.062162903e+03 0.92 1.263771640e+03 2.278548622e+03 2.649750514e+03 0.94 1.084331388e+03 1.974375419e+03 2.300365406e+03 0.96 9.313113191e+02 1.709186611e+03 2.002697145e+03 0.98 8.017596318e+02 1.478241774e+03 1.747886373e+03 1.00 6.931679505e+02 1.279483422e+03 1.530265200e+03 1.02 6.027494381e+02 1.111053558e+03 1.345486204e+03 1.04 5.272869466e+02 9.702868819e+02 1.188886912e+03 1.06 4.634559966e+02 8.536010938e+02 1.054936983e+03 1.08 4.085915901e+02 7.565830868e+02 9.380114905e+02 1.10 3.611342778e+02 6.743948214e+02 8.339160192e+02 1.12 3.201721897e+02 6.026020001e+02 7.407348077e+02 1.14 2.849267070e+02 5.380609697e+02 6.578719648e+02 1.16 2.545968090e+02 4.791453365e+02 5.848829724e+02 1.18 2.283543648e+02 4.253170251e+02 5.211381530e+02 1.20 2.054219508e+02 3.764728030e+02 4.657666073e+02 1.22 1.850871475e+02 3.325314968e+02 4.176479874e+02 1.24 1.666882164e+02 2.933559370e+02 3.754602821e+02 1.26 1.497158093e+02 2.587430462e+02 3.378286928e+02 1.28 1.339182230e+02 2.284195587e+02 3.035875801e+02 1.30 1.192386151e+02 2.020456512e+02 2.720330197e+02 1.32 1.056719124e+02 1.792318275e+02 2.429208084e+02 1.34 9.321225403e+01 1.595720272e+02 2.162085638e+02 1.36 8.184846993e+01 1.426833250e+02 1.918728136e+02 1.38 7.156259161e+01 1.282220046e+02 1.698744869e+02 1.40 6.232833130e+01 1.158558347e+02 1.501554301e+02 1.42 5.410957825e+01 1.052346649e+02 1.326360348e+02 1.44 4.685899044e+01 9.600054903e+01 1.172133516e+02 1.46 4.051683247e+01 8.781659975e+01 1.037599951e+02 1.48 3.501034116e+01 8.039157468e+01 9.212431348e+01 1.50 3.025411364e+01 7.350295583e+01 8.213250105e+01 1.52 2.615229434e+01 6.702125854e+01 7.359346160e+01 1.54 2.260354559e+01 6.090120776e+01 6.630685100e+01 1.56 1.950949981e+01 5.513514600e+01 6.007317907e+01 1.58 1.678584416e+01 4.972068762e+01 5.470213782e+01 1.60 1.437191543e+01 4.465505061e+01 5.001492692e+01 1.62 1.223179913e+01 3.993476064e+01 4.584404101e+01 1.64 1.034396021e+01 3.555537393e+01 4.204161077e+01 1.66 8.688680244e+00 3.151118947e+01 3.849689556e+01 1.68 7.243579030e+00 2.779495896e+01 3.514813541e+01 1.70 5.983852488e+00 2.439760320e+01 3.197407505e+01 1.72 4.883114603e+00 2.130794933e+01 2.897071336e+01 1.74 3.914742321e+00 1.851251200e+01 2.613634874e+01 1.76 3.053812692e+00 1.599535299e+01 2.346914494e+01 1.78 2.279408079e+00 1.373806941e+01 2.096713852e+01 1.80 1.576590839e+00 1.171997797e+01 1.862816265e+01 1.82 9.369195275e-01 9.918577747e+00 1.644976413e+01 1.84 3.567788371e-01 8.310373431e+00 1.442912187e+01 1.86 -1.654300815e-01 6.872100989e+00 1.256296845e+01 1.88 -6.310478374e-01 5.582282522e+00 1.084751611e+01 1.90 -1.041536824e+00 4.422819341e+00 9.278389629e+00 1.92 -1.398503856e+00 3.380062494e+00 7.850568893e+00 1.94 -1.703710555e+00 2.444719588e+00 6.558344650e+00 1.96 -1.959088742e+00 1.610461707e+00 5.395291821e+00 1.98 -2.166752030e+00 8.720876420e-01 4.354265507e+00 2.00 -2.329000997e+00 2.243523629e-01 3.427425902e+00 2.02 -2.448320323e+00 -3.383822949e-01 2.606299378e+00 2.04 -2.527366300e+00 -8.221196230e-01 1.881884259e+00 2.06 -2.568943385e+00 -1.233117115e+00 1.244810725e+00 2.08 -2.575969203e+00 -1.577740848e+00 6.855645358e-01 2.10 -2.551429027e+00 -1.862281751e+00 1.947819593e-01 2.12 -2.498323467e+00 -2.092741700e+00 -2.363841201e-01 2.14 -2.419617469e+00 -2.274611086e+00 -6.158443767e-01 2.16 -2.318204299e+00 -2.412678757e+00 -9.501492762e-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 -8.587106636e-23 3.04 0.000000000e+00 -3.836148829e-66 -5.754223244e-66 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 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 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