# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2006--Bere-A-Serra-A--Ga-N # implementation = SW_BereSerra_2006_GaN__MO_861114678890_000 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Ga Ga Ga N N N 0.02 4.433759928e+08 3.647916862e+08 6.972252611e+07 0.04 2.760623500e+07 2.271493912e+07 4.336471501e+06 0.06 5.432214959e+06 4.470035892e+06 8.523461648e+05 0.08 1.712126913e+06 1.408955372e+06 2.683266374e+05 0.10 6.985350715e+05 5.748752789e+05 1.093404287e+05 0.12 3.355312591e+05 2.761459314e+05 5.245204545e+04 0.14 1.803814929e+05 1.484612204e+05 2.815956600e+04 0.16 1.053041666e+05 8.667143756e+04 1.641521174e+04 0.18 6.546825170e+04 5.388442996e+04 1.018955177e+04 0.20 4.277288411e+04 3.520419628e+04 6.646087027e+03 0.22 2.908951353e+04 2.394116718e+04 4.511795496e+03 0.24 2.044984840e+04 1.682944248e+04 3.165575041e+03 0.26 1.478144635e+04 1.216334958e+04 2.283253756e+03 0.28 1.094003946e+04 9.001097646e+03 1.685956197e+03 0.30 8.263613928e+03 6.797799132e+03 1.270259505e+03 0.32 6.353605661e+03 5.225395893e+03 9.739378765e+02 0.34 4.961675773e+03 4.079474345e+03 7.582444923e+02 0.36 3.928386202e+03 3.228793630e+03 5.983195089e+02 0.38 3.148643867e+03 2.586844437e+03 4.777875398e+02 0.40 2.551541032e+03 2.095256239e+03 3.856073418e+02 0.42 2.088227871e+03 1.713815343e+03 3.141775758e+02 0.44 1.724414832e+03 1.414293549e+03 2.581662770e+02 0.46 1.435622364e+03 1.176538074e+03 2.137695989e+02 0.48 1.204104037e+03 9.859388482e+02 1.782319169e+02 0.50 1.016813265e+03 8.317548028e+02 1.495288564e+02 0.52 8.640349190e+02 7.059874462e+02 1.261540779e+02 0.54 7.384489252e+02 6.026100238e+02 1.069734453e+02 0.56 6.344795755e+02 5.170318652e+02 9.112374097e+01 0.58 5.478369506e+02 4.457208714e+02 7.794132148e+01 0.60 4.751894870e+02 3.859339594e+02 6.691120254e+01 0.62 4.139273380e+02 3.355222468e+02 5.763028138e+01 0.64 3.619894155e+02 2.927886613e+02 4.978047058e+01 0.66 3.177356435e+02 2.563827687e+02 4.310886516e+01 0.68 2.798516742e+02 2.252223252e+02 3.741295760e+01 0.70 2.472771622e+02 1.984342255e+02 3.252951438e+01 0.72 2.191513039e+02 1.753096633e+02 2.832613474e+01 0.74 1.947711509e+02 1.552698097e+02 2.469479285e+01 0.76 1.735594553e+02 1.378393380e+02 2.154685951e+01 0.78 1.550396884e+02 1.226258558e+02 1.880923662e+01 0.80 1.388165000e+02 1.093038148e+02 1.642133521e+01 0.82 1.245603338e+02 9.760184412e+01 1.433269762e+01 0.84 1.119952412e+02 8.729271570e+01 1.250111510e+01 0.86 1.008891723e+02 7.818534989e+01 1.089112893e+01 0.88 9.104619642e+01 7.011841032e+01 9.472830246e+00 0.90 8.230023844e+01 6.295514532e+01 8.220894098e+00 0.92 7.451000726e+01 5.657921249e+01 7.113798001e+00 0.94 6.755487198e+01 5.089128273e+01 6.133186809e+00 0.96 6.133149231e+01 4.580626556e+01 5.263354094e+00 0.98 5.575105356e+01 4.125103225e+01 4.490816830e+00 1.00 5.073698810e+01 3.716253953e+01 3.803965129e+00 1.02 4.622309025e+01 3.348627725e+01 3.192772625e+00 1.04 4.215195057e+01 3.017497904e+01 2.648556084e+00 1.06 3.847365079e+01 2.718754759e+01 2.163775136e+00 1.08 3.514467192e+01 2.448815552e+01 1.731864836e+00 1.10 3.212697779e+01 2.204549062e+01 1.347095192e+00 1.12 2.938724322e+01 1.983212028e+01 1.004452931e+00 1.14 2.689620192e+01 1.782395450e+01 6.995416620e-01 1.16 2.462809399e+01 1.599979084e+01 4.284973137e-01 1.18 2.256019625e+01 1.434092768e+01 1.879162924e-01 1.20 2.067242210e+01 1.283083466e+01 -2.520572599e-02 1.22 1.894697940e+01 1.145487097e+01 -2.135260974e-01 1.24 1.736807741e+01 1.020004397e+01 -3.794000225e-01 1.26 1.592167506e+01 9.054801873e+00 -5.249190494e-01 1.28 1.459526408e+01 8.008855179e+00 -6.519442445e-01 1.30 1.337768189e+01 7.053022522e+00 -7.621348482e-01 1.32 1.225894962e+01 6.179097316e+00 -8.569730953e-01 1.34 1.123013177e+01 5.379732108e+00 -9.377857760e-01 1.36 1.028321410e+01 4.648338069e+00 -1.005763016e+00 1.38 9.410997439e+00 3.978997473e+00 -1.061974682e+00 1.40 8.607004916e+00 3.366387309e+00 -1.107384765e+00 1.42 7.865400897e+00 2.805712498e+00 -1.142864017e+00 1.44 7.180919955e+00 2.292647377e+00 -1.169201108e+00 1.46 6.548804542e+00 1.823284341e+00 -1.187112509e+00 1.48 5.964750171e+00 1.394088680e+00 -1.197251279e+00 1.50 5.424857147e+00 1.001858790e+00 -1.200214921e+00 1.52 4.925587965e+00 6.436910634e-01 -1.196552444e+00 1.54 4.463729670e+00 3.169488512e-01 -1.186770739e+00 1.56 4.036360531e+00 1.923497792e-02 -1.171340382e+00 1.58 3.640820490e+00 -2.516326356e-01 -1.150700951e+00 1.60 3.274684927e+00 -4.976426288e-01 -1.125265929e+00 1.62 2.935741321e+00 -7.206094732e-01 -1.095427273e+00 1.64 2.621968471e+00 -9.221906477e-01 -1.061559698e+00 1.66 2.331517950e+00 -1.103901971e+00 -1.024024727e+00 1.68 2.062697552e+00 -1.267131311e+00 -9.831745611e-01 1.70 1.813956476e+00 -1.413150862e+00 -9.393557887e-01 1.72 1.583872059e+00 -1.543128153e+00 -8.929129657e-01 1.74 1.371137882e+00 -1.658135948e+00 -8.441920812e-01 1.76 1.174553080e+00 -1.759161143e+00 -7.935439032e-01 1.78 9.930127356e-01 -1.847112801e+00 -7.413271918e-01 1.80 8.254992266e-01 -1.922829394e+00 -6.879117376e-01 1.82 6.710744278e-01 -1.987085369e+00 -6.336811604e-01 1.84 5.288726708e-01 -2.040597092e+00 -5.790353644e-01 1.86 3.980943816e-01 -2.084028258e+00 -5.243924990e-01 1.88 2.780003235e-01 -2.117994804e+00 -4.701902160e-01 1.90 1.679063811e-01 -2.143069409e+00 -4.168859361e-01 1.92 6.717882857e-02 -2.159785598e+00 -3.649557439e-01 1.94 -2.476996837e-02 -2.168641524e+00 -3.148914185e-01 1.96 -1.084854610e-01 -2.170103436e+00 -2.671949764e-01 1.98 -1.844744771e-01 -2.164608891e+00 -2.223699690e-01 2.00 -2.532084662e-01 -2.152569729e+00 -1.809086564e-01 2.02 -3.151264636e-01 -2.134374842e+00 -1.432741242e-01 2.04 -3.706377996e-01 -2.110392762e+00 -1.098764920e-01 2.06 -4.201245811e-01 -2.080974094e+00 -8.104273303e-02 2.08 -4.639439668e-01 -2.046453801e+00 -5.698049239e-02 2.10 -5.024302576e-01 -2.007153384e+00 -3.773796728e-02 2.12 -5.358968191e-01 -1.963382945e+00 -2.316475453e-02 2.14 -5.646378539e-01 -1.915443167e+00 -1.288278836e-02 2.16 -5.889300379e-01 -1.863627223e+00 -6.281650802e-03 2.18 -6.090340331e-01 -1.808222609e+00 -2.556461292e-03 2.20 -6.251958910e-01 -1.749512933e+00 -8.037206360e-04 2.22 -6.376483542e-01 -1.687779644e+00 -1.715797334e-04 2.24 -6.466120692e-01 -1.623303729e+00 -1.972004210e-05 2.26 -6.522967169e-01 -1.556367356e+00 -7.670046626e-07 2.28 -6.549020690e-01 -1.487255485e+00 -3.417075523e-09 2.30 -6.546189779e-01 -1.416257421e+00 -6.761203569e-14 2.32 -6.516303057e-01 -1.343668319e+00 -5.207439797e-28 2.34 -6.461117981e-01 -1.269790613e+00 0.000000000e+00 2.36 -6.382329075e-01 -1.194935349e+00 0.000000000e+00 2.38 -6.281575696e-01 -1.119423400e+00 0.000000000e+00 2.40 -6.160449373e-01 -1.043586513e+00 0.000000000e+00 2.42 -6.020500731e-01 -9.677681457e-01 0.000000000e+00 2.44 -5.863246038e-01 -8.923240199e-01 0.000000000e+00 2.46 -5.690173371e-01 -8.176223070e-01 0.000000000e+00 2.48 -5.502748402e-01 -7.440433474e-01 0.000000000e+00 2.50 -5.302419816e-01 -6.719787706e-01 0.000000000e+00 2.52 -5.090624317e-01 -6.018298623e-01 0.000000000e+00 2.54 -4.868791211e-01 -5.340049950e-01 0.000000000e+00 2.56 -4.638346517e-01 -4.689159074e-01 0.000000000e+00 2.58 -4.400716546e-01 -4.069725920e-01 0.000000000e+00 2.60 -4.157330873e-01 -3.485765267e-01 0.000000000e+00 2.62 -3.909624616e-01 -2.941119839e-01 0.000000000e+00 2.64 -3.659039888e-01 -2.439351696e-01 0.000000000e+00 2.66 -3.407026299e-01 -1.983610159e-01 0.000000000e+00 2.68 -3.155040327e-01 -1.576475901e-01 0.000000000e+00 2.70 -2.904543368e-01 -1.219783357e-01 0.000000000e+00 2.72 -2.656998235e-01 -9.144276495e-02 0.000000000e+00 2.74 -2.413863844e-01 -6.601683112e-02 0.000000000e+00 2.76 -2.176587805e-01 -4.554505572e-02 0.000000000e+00 2.78 -1.946596601e-01 -2.972756803e-02 0.000000000e+00 2.80 -1.725283031e-01 -1.811640438e-02 0.000000000e+00 2.82 -1.513990585e-01 -1.012637564e-02 0.000000000e+00 2.84 -1.313994451e-01 -5.065826662e-03 0.000000000e+00 2.86 -1.126478936e-01 -2.190492173e-03 0.000000000e+00 2.88 -9.525111525e-02 -7.779192222e-04 0.000000000e+00 2.90 -7.930110981e-02 -2.098338488e-04 0.000000000e+00 2.92 -6.487184846e-02 -3.790317157e-05 0.000000000e+00 2.94 -5.201571718e-02 -3.691713912e-06 0.000000000e+00 2.96 -4.075986423e-02 -1.290309400e-07 0.000000000e+00 2.98 -3.110267730e-02 -6.807324703e-10 0.000000000e+00 3.00 -2.301071620e-02 -5.861668861e-14 0.000000000e+00 3.02 -1.641654297e-02 -2.862368879e-23 0.000000000e+00 3.04 -1.121801034e-02 -1.918074415e-66 0.000000000e+00 3.06 -7.279662752e-03 0.000000000e+00 0.000000000e+00 3.08 -4.436924250e-03 0.000000000e+00 0.000000000e+00 3.10 -2.503617880e-03 0.000000000e+00 0.000000000e+00 3.12 -1.282983647e-03 0.000000000e+00 0.000000000e+00 3.14 -5.816420326e-04 0.000000000e+00 0.000000000e+00 3.16 -2.248696500e-04 0.000000000e+00 0.000000000e+00 3.18 -7.031023442e-05 0.000000000e+00 0.000000000e+00 3.20 -1.642009186e-05 0.000000000e+00 0.000000000e+00 3.22 -2.527655213e-06 0.000000000e+00 0.000000000e+00 3.24 -2.082427195e-07 0.000000000e+00 0.000000000e+00 3.26 -6.310641967e-09 0.000000000e+00 0.000000000e+00 3.28 -3.322847411e-11 0.000000000e+00 0.000000000e+00 3.30 -5.282837096e-15 0.000000000e+00 0.000000000e+00 3.32 -1.330760879e-22 0.000000000e+00 0.000000000e+00 3.34 -2.113394709e-45 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 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 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