# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-N # implementation = 2009--Do-E-C--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 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 5.592739502e+02 nan nan 0.80 5.105470187e+02 nan nan 0.82 4.658712108e+02 nan nan 0.84 4.249437872e+02 4.192799580e+02 nan 0.86 3.874827468e+02 3.857856148e+02 6.276950716e+02 0.88 3.532246050e+02 3.548073589e+02 5.793152338e+02 0.90 3.219227359e+02 3.261741811e+02 5.345292923e+02 0.92 2.933461476e+02 2.997267403e+02 4.930951327e+02 0.94 2.672785688e+02 2.753160102e+02 4.547862413e+02 0.96 2.435177394e+02 2.528021877e+02 4.193900614e+02 0.98 2.218748205e+02 2.320538301e+02 3.867066944e+02 1.00 2.021738635e+02 2.129471863e+02 3.565478923e+02 1.02 1.842512951e+02 1.953656813e+02 3.287362786e+02 1.04 1.679553959e+02 1.791995151e+02 3.031047433e+02 1.06 1.531457595e+02 1.643453430e+02 2.794959583e+02 1.08 1.396927305e+02 1.507060080e+02 2.577619721e+02 1.10 1.274768251e+02 1.381903041e+02 2.377638510e+02 1.12 1.163881386e+02 1.267127539e+02 2.193713413e+02 1.14 1.063257505e+02 1.161933906e+02 2.024625393e+02 1.16 9.719713177e+01 1.065575375e+02 1.869235563e+02 1.18 8.891756382e+01 9.773558231e+01 1.726481773e+02 1.20 8.140957372e+01 8.966274510e+01 1.595375095e+02 1.22 7.460239109e+01 8.227884112e+01 1.474996237e+02 1.24 6.843142989e+01 7.552804028e+01 1.364491901e+02 1.26 6.283779768e+01 6.935862524e+01 1.263071132e+02 1.28 5.776783364e+01 6.372275080e+01 1.170001678e+02 1.30 5.317267608e+01 5.857620641e+01 1.084606405e+02 1.32 4.900785933e+01 5.387818427e+01 1.006259791e+02 1.34 4.523293946e+01 4.959105416e+01 9.343845242e+01 1.36 4.181114794e+01 4.568014688e+01 8.684482360e+01 1.38 3.870907207e+01 4.211354673e+01 8.079603625e+01 1.40 3.589636071e+01 3.886189425e+01 7.524691666e+01 1.42 3.334545400e+01 3.589819920e+01 7.015589124e+01 1.44 3.103133536e+01 3.319766435e+01 6.548472023e+01 1.46 2.893130447e+01 3.073751973e+01 6.119824737e+01 1.48 2.702476950e+01 2.849686752e+01 5.726416534e+01 1.50 2.529305729e+01 2.645653713e+01 5.365279677e+01 1.52 2.371924005e+01 2.459895008e+01 5.033688994e+01 1.54 2.228797723e+01 2.290799453e+01 4.729142901e+01 1.56 2.098537130e+01 2.136890866e+01 4.449345759e+01 1.58 1.979883638e+01 1.996817268e+01 4.192191541e+01 1.60 1.871697857e+01 1.869340890e+01 3.955748696e+01 1.62 1.772948687e+01 1.753328931e+01 3.738246163e+01 1.64 1.682703401e+01 1.647745027e+01 3.538060448e+01 1.66 1.600118615e+01 1.551641383e+01 3.353703699e+01 1.68 1.524432064e+01 1.464151513e+01 3.183812702e+01 1.70 1.454955132e+01 1.384483557e+01 3.027138752e+01 1.72 1.391066047e+01 1.311914126e+01 2.882538307e+01 1.74 1.332203699e+01 1.245782638e+01 2.748964395e+01 1.76 1.277862008e+01 1.185486107e+01 2.625458701e+01 1.78 1.227584816e+01 1.130474354e+01 2.511144286e+01 1.80 1.180961226e+01 1.080245600e+01 2.405218897e+01 1.82 1.137621377e+01 1.034342423e+01 2.306948806e+01 1.84 1.097232594e+01 9.923480411e+00 2.215663159e+01 1.86 1.059495890e+01 9.538828938e+00 2.130748770e+01 1.88 1.024142786e+01 9.186015120e+00 2.051645348e+01 1.90 9.909324154e+00 8.861896379e+00 1.977841106e+01 1.92 9.596488988e+00 8.563615835e+00 1.908868731e+01 1.94 9.300989478e+00 8.288578070e+00 1.844301680e+01 1.96 9.021096923e+00 8.034426876e+00 1.783750780e+01 1.98 8.755267030e+00 7.799024856e+00 1.726861108e+01 2.00 8.502121935e+00 7.580434695e+00 1.673309123e+01 2.02 8.260433859e+00 7.376901997e+00 1.622800035e+01 2.04 8.029110251e+00 7.186839533e+00 1.575065387e+01 2.06 7.807180280e+00 7.008812804e+00 1.529860844e+01 2.08 7.593782567e+00 6.841526799e+00 1.486964150e+01 2.10 7.388154038e+00 6.683813858e+00 1.446173266e+01 2.12 7.189619791e+00 6.534622545e+00 1.407304653e+01 2.14 6.997583913e+00 6.393007443e+00 1.370191699e+01 2.16 6.811521130e+00 6.258119811e+00 1.334683274e+01 2.18 6.630969247e+00 6.129199008e+00 1.300642406e+01 2.20 6.455522294e+00 6.005564643e+00 1.267945065e+01 2.22 6.284824310e+00 5.886609376e+00 1.236479046e+01 2.24 6.118563734e+00 5.771792321e+00 1.206142943e+01 2.26 5.956468325e+00 5.660633003e+00 1.176845211e+01 2.28 5.798300577e+00 5.552705818e+00 1.148503304e+01 2.30 5.643853590e+00 5.447634956e+00 1.121042876e+01 2.32 5.492947352e+00 5.345089751e+00 1.094397063e+01 2.34 5.345425392e+00 5.244780421e+00 1.068505807e+01 2.36 5.201151785e+00 5.146454157e+00 1.043315249e+01 2.38 5.060008467e+00 5.049891550e+00 1.018777161e+01 2.40 4.921892835e+00 4.954903310e+00 9.948484334e+00 2.42 4.786715611e+00 4.861327265e+00 9.714905982e+00 2.44 4.654398941e+00 4.769025605e+00 9.486693934e+00 2.46 4.524874712e+00 4.677882365e+00 9.263543631e+00 2.48 4.398083061e+00 4.587801116e+00 9.045184901e+00 2.50 4.273971068e+00 4.498702852e+00 8.831378584e+00 2.52 4.152491599e+00 4.410524056e+00 8.621913437e+00 2.54 4.033602306e+00 4.323214931e+00 8.416603294e+00 2.56 3.917264746e+00 4.236737781e+00 8.215284456e+00 2.58 3.803443624e+00 4.151065532e+00 8.017813303e+00 2.60 3.692106137e+00 4.066180384e+00 7.824064106e+00 2.62 3.583221413e+00 3.982072577e+00 7.633927015e+00 2.64 3.476760031e+00 3.898739270e+00 7.447306229e+00 2.66 3.372693617e+00 3.816183518e+00 7.264118313e+00 2.68 3.270994502e+00 3.734413345e+00 7.084290671e+00 2.70 3.171635441e+00 3.653440900e+00 6.907760143e+00 2.72 3.074589378e+00 3.573281697e+00 6.734471736e+00 2.74 2.979829258e+00 3.493953925e+00 6.564377471e+00 2.76 2.887327872e+00 3.415477829e+00 6.397435329e+00 2.78 2.797057746e+00 3.337875155e+00 6.233608306e+00 2.80 2.708991041e+00 3.261168651e+00 6.072863560e+00 2.82 2.623099494e+00 3.185381625e+00 5.915171641e+00 2.84 2.539354370e+00 3.110537553e+00 5.760505802e+00 2.86 2.457726433e+00 3.036659736e+00 5.608841386e+00 2.88 2.378185934e+00 2.963770994e+00 5.460155284e+00 2.90 2.300702608e+00 2.891893410e+00 5.314425448e+00 2.92 2.225245686e+00 2.821048104e+00 5.171630478e+00 2.94 2.151783907e+00 2.751255041e+00 5.031749248e+00 2.96 2.080285547e+00 2.682532874e+00 4.894760595e+00 2.98 2.010718444e+00 2.614898816e+00 4.760643047e+00 3.00 1.943050037e+00 2.548368537e+00 4.629374598e+00 3.02 1.877247395e+00 2.482956080e+00 4.500932519e+00 3.04 1.813277264e+00 2.418673811e+00 4.375293207e+00 3.06 1.751106104e+00 2.355532381e+00 4.252432065e+00 3.08 1.690700130e+00 2.293540700e+00 4.132323415e+00 3.10 1.632025360e+00 2.232705943e+00 4.014940429e+00 3.12 1.575047654e+00 2.173033557e+00 3.900255095e+00 3.14 1.519732759e+00 2.114527282e+00 3.788238194e+00 3.16 1.466046352e+00 2.057189191e+00 3.678859302e+00 3.18 1.413954083e+00 2.001019731e+00 3.572086806e+00 3.20 1.361378071e+00 1.946017778e+00 3.467887936e+00 3.22 1.262428918e+00 1.892180692e+00 3.366228806e+00 3.24 9.955414697e-01 1.839504385e+00 3.267074466e+00 3.26 5.822791538e-01 1.787983390e+00 3.170388965e+00 3.28 5.148353130e-01 1.737610934e+00 3.076135421e+00 3.30 4.961840466e-01 1.688379012e+00 2.984276092e+00 3.32 4.779748458e-01 1.640278465e+00 2.894772455e+00 3.34 4.602080978e-01 1.593299058e+00 2.807585286e+00 3.36 4.428833454e-01 1.547429558e+00 2.722674747e+00 3.38 4.259993466e-01 1.502657813e+00 2.640000462e+00 3.40 4.095541339e-01 1.458970828e+00 2.559521605e+00 3.42 3.935450704e-01 1.416354839e+00 2.481196984e+00 3.44 3.779689046e-01 1.374795388e+00 2.404985116e+00 3.46 3.628218224e-01 1.334277396e+00 2.330844311e+00 3.48 3.480994976e-01 1.294785230e+00 2.258732746e+00 3.50 3.335166499e-01 1.256302769e+00 2.188608539e+00 3.52 3.054297316e-01 1.218813468e+00 2.120429815e+00 3.54 2.119959513e-01 1.182300420e+00 2.054154780e+00 3.56 4.108246216e-02 1.146746410e+00 1.989741775e+00 3.58 7.970186260e-02 1.112133970e+00 1.927149340e+00 3.60 7.687816889e-02 1.078445432e+00 1.866336268e+00 3.62 7.414835537e-02 1.045662974e+00 1.807261651e+00 3.64 7.150966801e-02 1.013768663e+00 1.749884935e+00 3.66 6.895940760e-02 9.827444969e-01 1.694165954e+00 3.68 6.649493118e-02 9.525724452e-01 1.640064974e+00 3.70 6.411365328e-02 9.232344811e-01 1.587542728e+00 3.72 6.181304661e-02 8.947126151e-01 1.536560446e+00 3.74 5.959064266e-02 8.669889246e-01 1.487079882e+00 3.76 5.744403185e-02 8.400455809e-01 1.439063342e+00 3.78 5.537086356e-02 8.138648734e-01 1.392473704e+00 3.80 5.336884597e-02 7.884292324e-01 1.347274435e+00 3.82 5.143574565e-02 7.637212485e-01 1.303429610e+00 3.84 4.956938710e-02 7.397236908e-01 1.260903925e+00 3.86 4.776765208e-02 7.164195226e-01 1.219662705e+00 3.88 4.602847898e-02 6.937919160e-01 1.179671916e+00 3.90 4.434986191e-02 6.718242638e-01 1.140898170e+00 3.92 4.237080240e-02 6.476231840e-01 1.098560586e+00 3.94 3.578922320e-02 5.861141013e-01 9.947844112e-01 3.96 1.651808853e-02 4.130945524e-01 7.066665742e-01 3.98 -9.385042282e-03 1.234964411e-01 2.215214476e-01 4.00 -4.569445675e-23 -1.352248162e-22 -1.524311158e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00