# 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 = Ga3N # 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 1.301954649e+04 nan nan 0.72 1.098445800e+04 nan nan 0.74 9.311494876e+03 nan nan 0.76 7.931354642e+03 1.338478178e+04 nan 0.78 6.785480789e+03 1.143506674e+04 1.370493518e+04 0.80 5.824910136e+03 9.822155461e+03 1.176402011e+04 0.82 5.014662951e+03 8.480027267e+03 1.011718820e+04 0.84 4.326997008e+03 7.345170047e+03 8.720800383e+03 0.86 3.736189224e+03 6.373668713e+03 7.535351302e+03 0.88 3.224584279e+03 5.540266636e+03 6.524199917e+03 0.90 2.782497623e+03 4.824553835e+03 5.660392460e+03 0.92 2.402100839e+03 4.206842216e+03 4.923216419e+03 0.94 2.076279519e+03 3.670421534e+03 4.293445655e+03 0.96 1.799117834e+03 3.202808421e+03 3.753554954e+03 0.98 1.565237754e+03 2.795785680e+03 3.289967796e+03 1.00 1.368743695e+03 2.444204340e+03 2.892867743e+03 1.02 1.203203543e+03 2.143034647e+03 2.553538634e+03 1.04 1.062375413e+03 1.886435110e+03 2.263180586e+03 1.06 9.408715216e+02 1.668130733e+03 2.012859162e+03 1.08 8.346195360e+02 1.481743316e+03 1.794485180e+03 1.10 7.410271708e+02 1.320931943e+03 1.601966951e+03 1.12 6.583892187e+02 1.180035412e+03 1.431605294e+03 1.14 5.854047107e+02 1.054997526e+03 1.280951097e+03 1.16 5.210663817e+02 9.433509174e+02 1.147685385e+03 1.18 4.645238085e+02 8.434470792e+02 1.029536358e+03 1.20 4.149085094e+02 7.538691444e+02 9.245322718e+02 1.22 3.712369085e+02 6.733223154e+02 8.310826936e+02 1.24 3.324878845e+02 6.007803607e+02 7.477394621e+02 1.26 2.977807267e+02 5.355371977e+02 6.730191508e+02 1.28 2.665173997e+02 4.771022067e+02 6.055506682e+02 1.30 2.383329404e+02 4.250509356e+02 5.443208593e+02 1.32 2.129417784e+02 3.789316148e+02 4.887273526e+02 1.34 1.900848661e+02 3.382621033e+02 4.383595637e+02 1.36 1.695402958e+02 3.025619818e+02 3.928155234e+02 1.38 1.511258968e+02 2.713703511e+02 3.516927306e+02 1.40 1.346883359e+02 2.442284373e+02 3.146279594e+02 1.42 1.200968174e+02 2.206536958e+02 2.813286146e+02 1.44 1.072365867e+02 2.001460802e+02 2.515673078e+02 1.46 9.599184029e+01 1.822165084e+02 2.251372183e+02 1.48 8.623067353e+01 1.664123226e+02 2.018114563e+02 1.50 7.780122995e+01 1.523429324e+02 1.813338107e+02 1.52 7.053389033e+01 1.397101962e+02 1.634248714e+02 1.54 6.424738521e+01 1.283047712e+02 1.477933491e+02 1.56 5.875972652e+01 1.179607571e+02 1.341504257e+02 1.58 5.390317442e+01 1.085266331e+02 1.222224241e+02 1.60 4.953831022e+01 9.986690826e+01 1.117552469e+02 1.62 4.555881914e+01 9.186840665e+01 1.025112380e+02 1.64 4.188378300e+01 8.444510994e+01 9.427209784e+01 1.66 3.844855304e+01 7.754080069e+01 8.685566028e+01 1.68 3.520514425e+01 7.112393867e+01 8.013062257e+01 1.70 3.212504426e+01 6.517472268e+01 7.400864801e+01 1.72 2.919594992e+01 5.967425418e+01 6.841832018e+01 1.74 2.641370334e+01 5.460100385e+01 6.328853578e+01 1.76 2.377608909e+01 4.993035349e+01 5.854853759e+01 1.78 2.128114454e+01 4.563451752e+01 5.413292021e+01 1.80 1.892705969e+01 4.168269773e+01 4.998732957e+01 1.82 1.671213460e+01 3.804159198e+01 4.607300137e+01 1.84 1.463472915e+01 3.467638614e+01 4.236759103e+01 1.86 1.269321363e+01 3.155233116e+01 3.886098364e+01 1.88 1.088591987e+01 2.863689491e+01 3.554855392e+01 1.90 9.211092907e+00 2.590223302e+01 3.242662262e+01 1.92 7.666843178e+00 2.332735191e+01 2.949124250e+01 1.94 6.251099324e+00 2.089901668e+01 2.673806956e+01 1.96 4.961561808e+00 1.861063774e+01 2.416228382e+01 1.98 3.795657680e+00 1.645948714e+01 2.175851385e+01 2.00 2.750496964e+00 1.444400082e+01 1.952077578e+01 2.02 1.822831293e+00 1.256259109e+01 1.744243380e+01 2.04 1.009015581e+00 1.081347768e+01 1.551619151e+01 2.06 3.049737234e-01 9.194660564e+00 1.373412536e+01 2.08 -2.938305022e-01 7.703876780e+00 1.208777322e+01 2.10 -7.924159589e-01 6.338556955e+00 1.056829107e+01 2.12 -1.196298514e+00 5.095784155e+00 9.166688060e+00 2.14 -1.511495488e+00 3.972256065e+00 7.874141477e+00 2.16 -1.744518282e+00 2.964251835e+00 6.682376224e+00 2.18 -1.902351163e+00 2.067605264e+00 5.584065608e+00 2.20 -1.992414208e+00 1.277686332e+00 4.573174589e+00 2.22 -2.022508476e+00 5.893934461e-01 3.645135735e+00 2.24 -2.000741757e+00 -2.840829038e-03 2.796752578e+00 2.26 -1.935433693e+00 -5.050274869e-01 2.025805134e+00 2.28 -1.834999773e+00 -9.235788973e-01 1.330492712e+00 2.30 -1.707814624e+00 -1.265243378e+00 7.089779952e-01 2.32 -1.562056263e+00 -1.537013527e+00 1.592005545e-01 2.34 -1.405534438e+00 -1.746006349e+00 -3.211362830e-01 2.36 -1.245507851e+00 -1.899315387e+00 -7.345626907e-01 2.38 -1.088496785e+00 -2.003838859e+00 -1.083851903e+00 2.40 -9.400994473e-01 -2.066094096e+00 -1.372029040e+00 2.42 -8.048219820e-01 -2.092037568e+00 -1.602376177e+00 2.44 -6.859338310e-01 -2.086921238e+00 -1.778432830e+00 2.46 -5.853621407e-01 -2.055226418e+00 -1.903991079e+00 2.48 -5.036419204e-01 -2.000717946e+00 -1.983084438e+00 2.50 -4.399431702e-01 -1.926640041e+00 -2.019969641e+00 2.52 -3.922017419e-01 -1.836016957e+00 -2.019100464e+00 2.54 -3.573835329e-01 -1.731937063e+00 -1.985092838e+00 2.56 -3.319019027e-01 -1.617659553e+00 -1.922680616e+00 2.58 -3.121695651e-01 -1.496493043e+00 -1.836661567e+00 2.60 -2.951860656e-01 -1.371595095e+00 -1.731833539e+00 2.62 -2.789635471e-01 -1.245848052e+00 -1.612921072e+00 2.64 -2.625769453e-01 -1.121801137e+00 -1.484493379e+00 2.66 -2.458213996e-01 -1.001634284e+00 -1.350875203e+00 2.68 -2.287746766e-01 -8.871371637e-01 -1.216052942e+00 2.70 -2.115672113e-01 -7.797054258e-01 -1.083579377e+00 2.72 -1.943331912e-01 -6.803538019e-01 -9.564815198e-01 2.74 -1.772066941e-01 -5.897412834e-01 -8.371775444e-01 2.76 -1.603208102e-01 -5.081985770e-01 -7.274104892e-01 2.78 -1.438066103e-01 -4.357459014e-01 -6.282085326e-01 2.80 -1.277918999e-01 -3.720957960e-01 -5.398838687e-01 2.82 -1.123997430e-01 -3.166541915e-01 -4.620838771e-01 2.84 -9.774674643e-02 -2.685528375e-01 -3.939075345e-01 2.86 -8.394109776e-02 -2.267423480e-01 -3.340934861e-01 2.88 -7.108036260e-02 -1.901421897e-01 -2.812692982e-01 2.90 -5.924906193e-02 -1.578113448e-01 -2.342215107e-01 2.92 -4.851607104e-02 -1.290843786e-01 -1.921104966e-01 2.94 -3.893191312e-02 -1.036128140e-01 -1.545405938e-01 2.96 -3.052606197e-02 -8.128619339e-02 -1.214470918e-01 2.98 -2.330442261e-02 -6.208490070e-02 -9.287891206e-02 3.00 -1.724722727e-02 -4.596377973e-02 -6.882676100e-02 3.02 -1.230766299e-02 -3.280778334e-02 -4.915948841e-02 3.04 -8.411629281e-03 -2.242600215e-02 -3.361834001e-02 3.06 -5.459089715e-03 -1.455581964e-02 -2.182649862e-02 3.08 -3.327495198e-03 -8.872792555e-03 -1.330701095e-02 3.10 -1.877663829e-03 -5.006971330e-03 -7.509911609e-03 3.12 -9.622278781e-04 -2.565914722e-03 -3.848763652e-03 3.14 -4.362300634e-04 -1.163276273e-03 -1.744898339e-03 3.16 -1.686520897e-04 -4.497385117e-04 -6.746061415e-04 3.18 -5.273266683e-05 -1.406204209e-04 -2.109305325e-04 3.20 -1.231506863e-05 -3.284018228e-05 -4.926027043e-05 3.22 -1.895741407e-06 -5.055310411e-06 -7.582965583e-06 3.24 -1.561820396e-07 -4.164854390e-07 -6.247281584e-07 3.26 -4.732981475e-09 -1.262128393e-08 -1.893192590e-08 3.28 -2.492135558e-11 -6.645694822e-11 -9.968542232e-11 3.30 -3.962127822e-15 -1.056567419e-14 -1.584851129e-14 3.32 -9.980706591e-23 -2.661521758e-22 -3.992282637e-22 3.34 -1.585046032e-45 -4.226789418e-45 -6.340184127e-45 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 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