# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Nord-J-Albe-K-Erhart-P-Nordlund-K--Ga-N # implementation = Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_002 # composition = N # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan 6.628266532e+02 nan nan nan nan 0.60 nan nan nan nan nan 5.833227638e+02 nan nan 6.834811168e+02 nan 0.62 nan nan nan nan nan 5.135510195e+02 nan nan 6.015792134e+02 nan 0.64 nan nan nan nan nan 4.526929117e+02 nan nan 5.302604484e+02 nan 0.66 nan 6.767026172e+02 nan nan nan 4.002206519e+02 6.930945285e+02 nan 4.680555966e+02 6.832581619e+02 0.68 nan 6.023230541e+02 nan nan nan 3.548224737e+02 6.175738232e+02 nan 4.141669989e+02 6.084401957e+02 0.70 nan 5.368780640e+02 nan nan nan 3.152332437e+02 5.510614907e+02 nan 3.674704026e+02 5.416191518e+02 0.72 nan 4.797005285e+02 6.777394200e+02 nan nan 2.806173218e+02 4.914759922e+02 nan 3.268699747e+02 4.825220360e+02 0.74 6.793435609e+02 4.289404312e+02 6.092005597e+02 6.790756718e+02 6.782471114e+02 2.493311944e+02 4.381093044e+02 6.299682185e+02 2.915075532e+02 4.304649919e+02 0.76 6.128648572e+02 3.833156805e+02 5.478502624e+02 6.127334003e+02 6.121681635e+02 2.211269444e+02 3.909644249e+02 5.674654118e+02 2.605409537e+02 3.848654427e+02 0.78 5.531677092e+02 3.424374164e+02 4.934319035e+02 5.533076180e+02 5.533942009e+02 1.960389192e+02 3.497353062e+02 5.111079230e+02 2.326845629e+02 3.451774746e+02 0.80 4.992991072e+02 3.060592563e+02 4.450676900e+02 4.996322863e+02 5.001921169e+02 1.742609141e+02 3.137208603e+02 4.603980501e+02 2.075351251e+02 3.108193445e+02 0.82 4.507425255e+02 2.736416698e+02 4.012608531e+02 4.511623710e+02 4.519461612e+02 1.552256889e+02 2.821130076e+02 4.147087503e+02 1.850214579e+02 2.808381615e+02 0.84 4.067414942e+02 2.450889542e+02 3.613922135e+02 4.074233905e+02 4.082822243e+02 1.385716739e+02 2.542909283e+02 3.736613535e+02 1.648369716e+02 2.536764785e+02 0.86 3.672633548e+02 2.203590877e+02 3.255151935e+02 3.679986908e+02 3.686904853e+02 1.242213809e+02 2.295314644e+02 3.372882859e+02 1.466186224e+02 2.288977242e+02 0.88 3.322620964e+02 1.988282185e+02 2.930757975e+02 3.327435808e+02 3.330213759e+02 1.112816008e+02 2.073431497e+02 3.053147298e+02 1.303004869e+02 2.062167742e+02 0.90 3.017446929e+02 1.796096806e+02 2.639727875e+02 3.016639245e+02 3.013629501e+02 9.950637274e+01 1.873329514e+02 2.771701129e+02 1.159092610e+02 1.855862596e+02 0.92 2.747059568e+02 1.618356766e+02 2.383828824e+02 2.739798262e+02 2.732195466e+02 8.893982615e+01 1.692941313e+02 2.516529727e+02 1.030738969e+02 1.665048372e+02 0.94 2.497538535e+02 1.454153653e+02 2.163209294e+02 2.488076909e+02 2.479084608e+02 7.963339618e+01 1.528776979e+02 2.282574081e+02 9.148252429e+01 1.489183624e+02 0.96 2.268316100e+02 1.303974719e+02 1.970393521e+02 2.259655290e+02 2.251105782e+02 7.158760460e+01 1.378076271e+02 2.069976902e+02 8.106058979e+01 1.329816724e+02 0.98 2.059612059e+02 1.168185659e+02 1.797150745e+02 2.053140292e+02 2.046544319e+02 6.445699572e+01 1.237036110e+02 1.877359538e+02 7.190421254e+01 1.188672742e+02 1.00 1.870408239e+02 1.047165204e+02 1.640355313e+02 1.867165018e+02 1.863813082e+02 5.811236033e+01 1.105562761e+02 1.701995213e+02 6.401786554e+01 1.063202096e+02 1.02 1.698092585e+02 9.404919798e+01 1.497710549e+02 1.699115074e+02 1.700026017e+02 5.252154651e+01 9.844996932e+01 1.543368375e+02 5.716823735e+01 9.495071379e+01 1.04 1.541496988e+02 8.470666440e+01 1.367333760e+02 1.546475711e+02 1.551328290e+02 4.763283539e+01 8.747040142e+01 1.399940127e+02 5.122772108e+01 8.479677138e+01 1.06 1.401138297e+02 7.650226202e+01 1.246224026e+02 1.408669993e+02 1.416063989e+02 4.320163807e+01 7.760681731e+01 1.271070761e+02 4.595686120e+01 7.600348375e+01 1.08 1.276803087e+02 6.910584289e+01 1.130459167e+02 1.284386085e+02 1.291839644e+02 3.895746595e+01 6.881140587e+01 1.156132845e+02 4.127637591e+01 6.861528656e+01 1.10 1.163806206e+02 6.218290391e+01 1.020853360e+02 1.170278928e+02 1.176639794e+02 3.492951139e+01 6.122903384e+01 1.051932748e+02 3.708671879e+01 6.202608424e+01 1.12 1.060595796e+02 5.569126136e+01 9.180623759e+01 1.065342635e+02 1.070000624e+02 3.114511422e+01 5.473209017e+01 9.574163113e+01 3.325085725e+01 5.603613943e+01 1.14 9.669577816e+01 4.957622601e+01 8.225141007e+01 9.695198296e+01 9.720218039e+01 2.762364391e+01 4.915741937e+01 8.711263081e+01 2.970835269e+01 5.062972559e+01 1.16 8.824432148e+01 4.386105948e+01 7.345950564e+01 8.825530194e+01 8.826366230e+01 2.438123277e+01 4.435727347e+01 7.917038825e+01 2.645056937e+01 4.578065440e+01 1.18 8.036343635e+01 3.855357192e+01 6.549150899e+01 8.016024246e+01 7.995784389e+01 2.143773253e+01 4.003018918e+01 7.170161126e+01 2.348192822e+01 4.134620440e+01 1.20 7.297312585e+01 3.368647261e+01 5.845150198e+01 7.260621217e+01 7.224311515e+01 1.882275288e+01 3.613847715e+01 6.464885321e+01 2.080570588e+01 3.727944173e+01 1.22 6.600938958e+01 2.924835855e+01 5.236823072e+01 6.555864152e+01 6.511377551e+01 1.657466496e+01 3.265843353e+01 5.801070080e+01 1.842335735e+01 3.351996442e+01 1.24 5.939950097e+01 2.523434423e+01 4.716810032e+01 5.896996681e+01 5.854684177e+01 1.467362828e+01 2.952573307e+01 5.177561235e+01 1.631335309e+01 3.001233840e+01 1.26 5.316869563e+01 2.173195608e+01 4.270833788e+01 5.285752048e+01 5.255155904e+01 1.300690648e+01 2.666185257e+01 4.596525665e+01 1.438054388e+01 2.676345666e+01 1.28 4.733472660e+01 1.883663082e+01 3.857315794e+01 4.716025530e+01 4.698918687e+01 1.140703060e+01 2.400718160e+01 4.061176352e+01 1.259758396e+01 2.377987429e+01 1.30 4.192097175e+01 1.647287758e+01 3.465034782e+01 4.187560524e+01 4.183164388e+01 9.835390765e+00 2.155527070e+01 3.577457166e+01 1.096093061e+01 2.106907305e+01 1.32 3.697382414e+01 1.444020846e+01 3.095527371e+01 3.704566403e+01 3.711687519e+01 8.301072550e+00 1.930161952e+01 3.154801289e+01 9.476667890e+00 1.863982424e+01 1.34 3.257688139e+01 1.273018509e+01 2.750057624e+01 3.274095030e+01 3.290264921e+01 6.803927347e+00 1.724146779e+01 2.801875725e+01 8.150214604e+00 1.650054870e+01 1.36 2.884393575e+01 1.123179532e+01 2.429874298e+01 2.905392736e+01 2.926059954e+01 5.337642591e+00 1.536966028e+01 2.508120580e+01 6.914588988e+00 1.465509311e+01 1.38 2.587092900e+01 9.913985862e+00 2.136512791e+01 2.606161579e+01 2.624927305e+01 3.897131658e+00 1.366071802e+01 2.266881998e+01 5.736421996e+00 1.309684679e+01 1.40 2.352546823e+01 8.752358113e+00 1.872010877e+01 2.365077705e+01 2.377423740e+01 2.493694685e+00 1.204921375e+01 2.049005017e+01 4.626477434e+00 1.177182574e+01 1.42 2.138793159e+01 7.703099925e+00 1.638831173e+01 2.146148964e+01 2.153413121e+01 1.180569324e+00 1.054019823e+01 1.847444043e+01 3.595043090e+00 1.056527082e+01 1.44 1.936723727e+01 6.754714997e+00 1.439280961e+01 1.940585836e+01 1.944417556e+01 7.898106732e-02 9.142390546e+00 1.657978904e+01 2.654503690e+00 9.378869203e+00 1.46 1.744492207e+01 5.898329128e+00 1.274427216e+01 1.746475678e+01 1.748456329e+01 -6.387249055e-01 7.862372790e+00 1.479496605e+01 1.821912566e+00 8.198120345e+00 1.48 1.562482641e+01 5.125815112e+00 1.140367903e+01 1.563914874e+01 1.565347106e+01 -9.198227540e-01 6.690741500e+00 1.312277447e+01 1.112292915e+00 7.039913036e+00 1.50 1.391007277e+01 4.429731339e+00 1.020133831e+01 1.392051163e+01 1.393095049e+01 -1.115767837e+00 5.601574724e+00 1.156554368e+01 4.671132030e-01 5.916186311e+00 1.52 1.230314057e+01 3.803265386e+00 9.104029985e+00 1.230981202e+01 1.231648348e+01 -1.286188544e+00 4.597437945e+00 1.012532009e+01 -1.233419831e-01 4.833765371e+00 1.54 1.080614192e+01 3.240182179e+00 8.103277532e+00 1.080939693e+01 1.081265194e+01 -1.433399845e+00 3.683204225e+00 8.804081018e+00 -6.434333774e-01 3.794735421e+00 1.56 9.421211257e+00 2.734776369e+00 7.191261757e+00 9.421575417e+00 9.421939578e+00 -1.559531550e+00 2.866329982e+00 7.603835582e+00 -1.071738801e+00 2.797612027e+00 1.58 8.150878700e+00 2.281828572e+00 6.360770905e+00 8.148978507e+00 8.147078314e+00 -1.666542238e+00 2.157068782e+00 6.526466517e+00 -1.385288290e+00 1.839778331e+00 1.60 6.998250219e+00 1.876565179e+00 5.605154509e+00 6.994733588e+00 6.991216957e+00 -1.756232182e+00 1.566836584e+00 5.573203986e+00 -1.568343095e+00 9.219180220e-01 1.62 5.966793819e+00 1.514621423e+00 4.918280706e+00 5.962256060e+00 5.957718301e+00 -1.830255332e+00 1.090265068e+00 4.732343402e+00 -1.646522058e+00 5.514522692e-02 1.64 5.059576108e+00 1.190256818e+00 4.294496755e+00 5.054504642e+00 5.049433176e+00 -1.890130418e+00 7.177616967e-01 3.991280413e+00 -1.708758215e+00 -7.298589849e-01 1.66 4.277953240e+00 8.816472137e-01 3.728592529e+00 4.272702606e+00 4.267451971e+00 -1.937251243e+00 4.058006698e-01 3.347819719e+00 -1.772603351e+00 -1.377018746e+00 1.68 3.619989931e+00 5.869143569e-01 3.215766741e+00 3.614791582e+00 3.609593234e+00 -1.972896226e+00 1.093121584e-01 2.797847454e+00 -1.836714410e+00 -1.814730254e+00 1.70 3.078514599e+00 3.101036697e-01 2.751595724e+00 3.073513658e+00 3.068512718e+00 -1.998237244e+00 -1.700494126e-01 2.334541332e+00 -1.899523089e+00 -1.993781692e+00 1.72 2.607678784e+00 5.435425280e-02 2.332004551e+00 2.602910718e+00 2.598142651e+00 -2.014347814e+00 -4.311353213e-01 1.928356790e+00 -1.960010760e+00 -2.064680010e+00 1.74 2.181260388e+00 -1.782101401e-01 1.951113913e+00 2.176714351e+00 2.172168314e+00 -2.022210692e+00 -6.731402913e-01 1.562120701e+00 -2.017630688e+00 -2.121030643e+00 1.76 1.795646213e+00 -3.865065759e-01 1.587881780e+00 1.791311867e+00 1.786977521e+00 -2.022724889e+00 -8.953611660e-01 1.232490059e+00 -2.072170088e+00 -2.164283445e+00 1.78 1.447497423e+00 -5.704290649e-01 1.240538275e+00 1.443364910e+00 1.439232398e+00 -2.016712187e+00 -1.096915804e+00 9.363818474e-01 -2.123543246e+00 -2.195767703e+00 1.80 1.133729472e+00 -7.326581229e-01 9.120184350e-01 1.129789394e+00 1.125849316e+00 -2.004923162e+00 -1.276470107e+00 6.709535989e-01 -2.171512380e+00 -2.216701398e+00 1.82 8.514934833e-01 -8.814624708e-01 6.045450379e-01 8.477368791e-01 8.439802749e-01 -1.988042759e+00 -1.432052549e+00 4.335853808e-01 -2.215348464e+00 -2.228199777e+00 1.84 5.981589478e-01 -1.014112316e+00 3.196116232e-01 5.945772737e-01 5.909955996e-01 -1.966695462e+00 -1.561063778e+00 2.218630961e-01 -2.253476958e+00 -2.231283300e+00 1.86 3.712976731e-01 -1.127294845e+00 5.802570609e-02 3.678827834e-01 3.644678937e-01 -1.941450065e+00 -1.660588266e+00 3.356300649e-02 -2.283207259e+00 -2.226884996e+00 1.88 1.686688782e-01 -1.218424139e+00 -1.799882065e-01 1.654130063e-01 1.621571344e-01 -1.912824094e+00 -1.728050587e+00 -1.333626092e-01 -2.300708520e+00 -2.215857278e+00 1.90 -1.179463938e-02 -1.285431924e+00 -3.946299755e-01 -1.489889825e-02 -1.800315712e-02 -1.881287902e+00 -1.763141854e+00 -2.807987450e-01 -2.301423254e+00 -2.198978247e+00 1.92 -1.719993415e-01 -1.326578327e+00 -5.863206041e-01 -1.749590474e-01 -1.779187532e-01 -1.847268442e+00 -1.768850710e+00 -4.104799810e-01 -2.281023166e+00 -2.176957532e+00 1.94 -3.137028630e-01 -1.340438105e+00 -7.554766657e-01 -3.165247471e-01 -3.193466313e-01 -1.811152773e+00 -1.759205441e+00 -5.240018906e-01 -2.236750030e+00 -2.150441693e+00 1.96 -4.385250667e-01 -1.326257067e+00 -9.023003935e-01 -4.412155469e-01 -4.439060271e-01 -1.773291284e+00 -1.746988920e+00 -6.312451394e-01 -2.170936149e+00 -2.120019216e+00 1.98 -5.479582999e-01 -1.294006439e+00 -1.026640874e+00 -5.505234951e-01 -5.530886903e-01 -1.734000688e+00 -1.732023275e+00 -7.387130507e-01 -2.102307679e+00 -2.086225146e+00 2.00 -6.433769095e-01 -1.253873017e+00 -1.127992203e+00 -6.458226538e-01 -6.482683980e-01 -1.693566782e+00 -1.714287754e+00 -8.423498028e-01 -2.034645275e+00 -2.049545355e+00 2.02 -7.371919689e-01 -1.205131992e+00 -1.210057623e+00 -7.395151107e-01 -7.418382525e-01 -1.649798902e+00 -1.691871504e+00 -9.414064056e-01 -1.961985063e+00 -2.009061621e+00 2.04 -8.364745979e-01 -1.145731835e+00 -1.273732495e+00 -8.386646697e-01 -8.408547416e-01 -1.599910919e+00 -1.661615118e+00 -1.033553169e+00 -1.878752774e+00 -1.962515240e+00 2.06 -9.347193046e-01 -1.075409159e+00 -1.315073316e+00 -9.367679477e-01 -9.388165909e-01 -1.543265956e+00 -1.621897045e+00 -1.113306944e+00 -1.785614329e+00 -1.908360854e+00 2.08 -1.025892762e+00 -9.942061932e-01 -1.331704119e+00 -1.027793567e+00 -1.029694372e+00 -1.479281384e+00 -1.571377627e+00 -1.176032128e+00 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