# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = GaN # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan nan nan nan nan 0.90 nan nan nan nan nan nan nan nan 0.92 nan nan nan nan nan nan nan nan 0.94 nan nan nan nan nan nan nan nan 0.96 nan nan nan nan nan nan nan nan 0.98 nan nan nan nan 6.449461073e+02 6.449461073e+02 nan nan 1.00 nan nan nan nan 5.627493701e+02 5.627493701e+02 nan nan 1.02 nan nan nan nan 4.917967801e+02 4.917967801e+02 nan nan 1.04 nan nan nan nan 4.302609444e+02 4.302609444e+02 nan nan 1.06 nan nan nan nan 3.766619471e+02 3.766619471e+02 nan nan 1.08 nan nan nan nan 3.298168179e+02 3.298168179e+02 nan nan 1.10 nan nan nan nan 2.886751524e+02 2.886751524e+02 nan nan 1.12 nan nan nan nan 2.522354500e+02 2.522354500e+02 nan nan 1.14 6.136615697e+02 6.136615697e+02 nan nan 2.198309661e+02 2.198309661e+02 nan nan 1.16 5.391487982e+02 5.391487982e+02 nan nan 1.912704050e+02 1.912704050e+02 nan nan 1.18 4.744490624e+02 4.744490624e+02 nan nan 1.661261373e+02 1.661261373e+02 nan nan 1.20 4.182954572e+02 4.182954572e+02 nan nan 1.438014402e+02 1.438014402e+02 nan nan 1.22 3.695531604e+02 3.695531604e+02 nan nan 1.239138234e+02 1.239138234e+02 nan nan 1.24 3.272052328e+02 3.272052328e+02 6.393551521e+02 6.393551521e+02 1.062197477e+02 1.062197477e+02 nan nan 1.26 2.903127984e+02 2.903127984e+02 5.676794435e+02 5.676794435e+02 9.052769435e+01 9.052769435e+01 6.598427508e+02 6.598427508e+02 1.28 2.579767674e+02 2.579767674e+02 5.040394376e+02 5.040394376e+02 7.667226798e+01 7.667226798e+01 5.935809454e+02 5.935809454e+02 1.30 2.293993622e+02 2.293993622e+02 4.476507874e+02 4.476507874e+02 6.450605965e+01 6.450605965e+01 5.340111189e+02 5.340111189e+02 1.32 2.041147710e+02 2.041147710e+02 3.977461709e+02 3.977461709e+02 5.389116340e+01 5.389116340e+01 4.805443609e+02 4.805443609e+02 1.34 1.818789869e+02 1.818789869e+02 3.537231995e+02 3.537231995e+02 4.468945894e+01 4.468945894e+01 4.325734621e+02 4.325734621e+02 1.36 1.622813175e+02 1.622813175e+02 3.150150950e+02 3.150150950e+02 3.675527812e+01 3.675527812e+01 3.894678341e+02 3.894678341e+02 1.38 1.448526386e+02 1.448526386e+02 2.810678569e+02 2.810678569e+02 2.994699496e+01 2.994699496e+01 3.507258646e+02 3.507258646e+02 1.40 1.292680023e+02 1.292680023e+02 2.513930480e+02 2.513930480e+02 2.415394555e+01 2.415394555e+01 3.160074225e+02 3.160074225e+02 1.42 1.153102782e+02 1.153102782e+02 2.255451669e+02 2.255451669e+02 1.928166432e+01 1.928166432e+01 2.850022672e+02 2.850022672e+02 1.44 1.028100856e+02 1.028100856e+02 2.030500040e+02 2.030500040e+02 1.521318379e+01 1.521318379e+01 2.573450361e+02 2.573450361e+02 1.46 9.162440142e+01 9.162440142e+01 1.834339477e+02 1.834339477e+02 1.182309792e+01 1.182309792e+01 2.326799947e+02 2.326799947e+02 1.48 8.162827206e+01 8.162827206e+01 1.662764676e+02 1.662764676e+02 9.003528349e+00 9.003528349e+00 2.106985384e+02 2.106985384e+02 1.50 7.271005248e+01 7.271005248e+01 1.512145808e+02 1.512145808e+02 6.664434528e+00 6.664434528e+00 1.911209507e+02 1.911209507e+02 1.52 6.476798247e+01 6.476798247e+01 1.379321781e+02 1.379321781e+02 4.727993540e+00 4.727993540e+00 1.736822124e+02 1.736822124e+02 1.54 5.770520553e+01 5.770520553e+01 1.261556832e+02 1.261556832e+02 3.127033817e+00 3.127033817e+00 1.581383910e+02 1.581383910e+02 1.56 5.142594680e+01 5.142594680e+01 1.156461510e+02 1.156461510e+02 1.804186783e+00 1.804186783e+00 1.442744667e+02 1.442744667e+02 1.58 4.583725442e+01 4.583725442e+01 1.061970333e+02 1.061970333e+02 7.110782327e-01 7.110782327e-01 1.318907541e+02 1.318907541e+02 1.60 4.086067731e+01 4.086067731e+01 9.764896802e+01 9.764896802e+01 -1.926670055e-01 -1.926670055e-01 1.208033838e+02 1.208033838e+02 1.62 3.643956835e+01 3.643956835e+01 8.989847794e+01 8.989847794e+01 -9.406459633e-01 -9.406459634e-01 1.108669694e+02 1.108669694e+02 1.64 3.252291642e+01 3.252291642e+01 8.286462222e+01 8.286462222e+01 -1.560887699e+00 -1.560887699e+00 1.019575418e+02 1.019575418e+02 1.66 2.904949674e+01 2.904949674e+01 7.645564140e+01 7.645564140e+01 -2.076739024e+00 -2.076739024e+00 9.394096530e+01 9.394096530e+01 1.68 2.595623826e+01 2.595623826e+01 7.058057652e+01 7.058057652e+01 -2.507427580e+00 -2.507427580e+00 8.668575566e+01 8.668575566e+01 1.70 2.319042688e+01 2.319042688e+01 6.516834351e+01 6.516834351e+01 -2.868551098e+00 -2.868551098e+00 8.008372477e+01 8.008372477e+01 1.72 2.070940620e+01 2.070940620e+01 6.016652827e+01 6.016652827e+01 -3.172561673e+00 -3.172561673e+00 7.404935496e+01 7.404935496e+01 1.74 1.847777590e+01 1.847777590e+01 5.553380758e+01 5.553380758e+01 -3.429206352e+00 -3.429206352e+00 6.851289027e+01 6.851289027e+01 1.76 1.646534999e+01 1.646534999e+01 5.123574303e+01 5.123574303e+01 -3.645912188e+00 -3.645912188e+00 6.341541916e+01 6.341541916e+01 1.78 1.464631395e+01 1.464631395e+01 4.724268374e+01 4.724268374e+01 -3.828271958e+00 -3.828271958e+00 5.870714429e+01 5.870714429e+01 1.80 1.299859634e+01 1.299859634e+01 4.352898096e+01 4.352898096e+01 -3.980274742e+00 -3.980274742e+00 5.434490728e+01 5.434490728e+01 1.82 1.150329918e+01 1.150329918e+01 4.007202571e+01 4.007202571e+01 -4.104795686e+00 -4.104795686e+00 5.028941358e+01 5.028941358e+01 1.84 1.014415682e+01 1.014415682e+01 3.685176153e+01 3.685176153e+01 -4.203915839e+00 -4.203915839e+00 4.650434104e+01 4.650434104e+01 1.86 8.906992060e+00 8.906992060e+00 3.385001019e+01 3.385001019e+01 -4.279299617e+00 -4.279299617e+00 4.296137954e+01 4.296137954e+01 1.88 7.779219853e+00 7.779219853e+00 3.104933487e+01 3.104933487e+01 -4.332761805e+00 -4.332761805e+00 3.964720048e+01 3.964720048e+01 1.90 6.749514354e+00 6.749514354e+00 2.843137523e+01 2.843137523e+01 -4.367128300e+00 -4.367128300e+00 3.655896789e+01 3.655896789e+01 1.92 5.807659400e+00 5.807659400e+00 2.597622414e+01 2.597622414e+01 -4.386639052e+00 -4.386639052e+00 3.368912462e+01 3.368912462e+01 1.94 4.944509841e+00 4.944509841e+00 2.366661996e+01 2.366661996e+01 -4.394906825e+00 -4.394906825e+00 3.101894261e+01 3.101894261e+01 1.96 4.151961759e+00 4.151961759e+00 2.149602679e+01 2.149602679e+01 -4.390862777e+00 -4.390862777e+00 2.852618334e+01 2.852618334e+01 1.98 3.422957518e+00 3.422957518e+00 1.947013278e+01 1.947013278e+01 -4.368022379e+00 -4.368022379e+00 2.619294741e+01 2.619294741e+01 2.00 2.751262688e+00 2.751262688e+00 1.759413570e+01 1.759413570e+01 -4.320620017e+00 -4.320620017e+00 2.400631129e+01 2.400631129e+01 2.02 2.131733675e+00 2.131733675e+00 1.586169849e+01 1.586169849e+01 -4.249157372e+00 -4.249157372e+00 2.195617809e+01 2.195617809e+01 2.04 1.560025888e+00 1.560025888e+00 1.425736897e+01 1.425736897e+01 -4.159080750e+00 -4.159080750e+00 2.003383287e+01 2.003383287e+01 2.06 1.032574525e+00 1.032574525e+00 1.276597932e+01 1.276597932e+01 -4.056015668e+00 -4.056015668e+00 1.823145047e+01 1.823145047e+01 2.08 5.464891710e-01 5.464891710e-01 1.137694870e+01 1.137694870e+01 -3.943544976e+00 -3.943544976e+00 1.654185835e+01 1.654185835e+01 2.10 9.943490837e-02 9.943490837e-02 1.008323236e+01 1.008323236e+01 -3.823707437e+00 -3.823707437e+00 1.495835366e+01 1.495835366e+01 2.12 -3.104953633e-01 -3.104953633e-01 8.879370934e+00 8.879370934e+00 -3.697917691e+00 -3.697917691e+00 1.347470589e+01 1.347470589e+01 2.14 -6.849293326e-01 -6.849293326e-01 7.760576032e+00 7.760576032e+00 -3.567396844e+00 -3.567396844e+00 1.208479620e+01 1.208479620e+01 2.16 -1.025455404e+00 -1.025455404e+00 6.722441414e+00 6.722441414e+00 -3.433293415e+00 -3.433293415e+00 1.078361089e+01 1.078361089e+01 2.18 -1.333886258e+00 -1.333886258e+00 5.760878312e+00 5.760878312e+00 -3.296687899e+00 -3.296687899e+00 9.567955573e+00 9.567955573e+00 2.20 -1.612751950e+00 -1.612751950e+00 4.872073324e+00 4.872073324e+00 -3.158596658e+00 -3.158596658e+00 8.436259171e+00 8.436259171e+00 2.22 -1.864935947e+00 -1.864935947e+00 4.052475058e+00 4.052475058e+00 -3.019956784e+00 -3.019956784e+00 7.386968462e+00 7.386968462e+00 2.24 -2.092383545e+00 -2.092383545e+00 3.298768592e+00 3.298768592e+00 -2.881618945e+00 -2.881618945e+00 6.417069389e+00 6.417069389e+00 2.26 -2.294406131e+00 -2.294406131e+00 2.607817652e+00 2.607817652e+00 -2.744356644e+00 -2.744356644e+00 5.522154289e+00 5.522154289e+00 2.28 -2.467814511e+00 -2.467814511e+00 1.976580518e+00 1.976580518e+00 -2.608889706e+00 -2.608889706e+00 4.697485481e+00 4.697485481e+00 2.30 -2.609617883e+00 -2.609617883e+00 1.402037129e+00 1.402037129e+00 -2.475903593e+00 -2.475903593e+00 3.938764799e+00 3.938764799e+00 2.32 -2.719780244e+00 -2.719780244e+00 8.812015254e-01 8.812015254e-01 -2.346027892e+00 -2.346027892e+00 3.242320094e+00 3.242320094e+00 2.34 -2.801312041e+00 -2.801312041e+00 4.109744891e-01 4.109744891e-01 -2.219900539e+00 -2.219900539e+00 2.605174588e+00 2.605174588e+00 2.36 -2.858260230e+00 -2.858260230e+00 -1.156155705e-02 -1.156155705e-02 -2.098005358e+00 -2.098005358e+00 2.025019669e+00 2.025019669e+00 2.38 -2.894007459e+00 -2.894007459e+00 -3.893098572e-01 -3.893098572e-01 -1.980758932e+00 -1.980758932e+00 1.499857863e+00 1.499857863e+00 2.40 -2.910920810e+00 -2.910920810e+00 -7.251078203e-01 -7.251078203e-01 -1.868478017e+00 -1.868478017e+00 1.027403148e+00 1.027403148e+00 2.42 -2.910740564e+00 -2.910740564e+00 -1.021722731e+00 -1.021722731e+00 -1.761381044e+00 -1.761381044e+00 6.047535913e-01 6.047535913e-01 2.44 -2.894967689e+00 -2.894967689e+00 -1.281848291e+00 -1.281848291e+00 -1.659591564e+00 -1.659591564e+00 2.285777647e-01 2.285777647e-01 2.46 -2.865041431e+00 -2.865041431e+00 -1.508097976e+00 -1.508097976e+00 -1.563142696e+00 -1.563142696e+00 -1.044861933e-01 -1.044861933e-01 2.48 -2.822391535e+00 -2.822391535e+00 -1.702997067e+00 -1.702997067e+00 -1.471983057e+00 -1.471983057e+00 -3.975894450e-01 -3.975894450e-01 2.50 -2.768441759e+00 -2.768441759e+00 -1.868975240e+00 -1.868975240e+00 -1.385984537e+00 -1.385984537e+00 -6.536396311e-01 -6.536396311e-01 2.52 -2.704596242e+00 -2.704596242e+00 -2.008360542e+00 -2.008360542e+00 -1.304951874e+00 -1.304951874e+00 -8.754913953e-01 -8.754913953e-01 2.54 -2.632232951e+00 -2.632232951e+00 -2.123374980e+00 -2.123374980e+00 -1.228633729e+00 -1.228633729e+00 -1.065828099e+00 -1.065828099e+00 2.56 -2.552676175e+00 -2.552676175e+00 -2.216131787e+00 -2.216131787e+00 -1.156734807e+00 -1.156734807e+00 -1.227313764e+00 -1.227313764e+00 2.58 -2.467245216e+00 -2.467245216e+00 -2.288634099e+00 -2.288634099e+00 -1.088928597e+00 -1.088928597e+00 -1.362553959e+00 -1.362553959e+00 2.60 -2.377154349e+00 -2.377154349e+00 -2.342775380e+00 -2.342775380e+00 -1.024870222e+00 -1.024870222e+00 -1.474084559e+00 -1.474084559e+00 2.62 -2.283578059e+00 -2.283578059e+00 -2.380341990e+00 -2.380341990e+00 -9.642087292e-01 -9.642087292e-01 -1.564352013e+00 -1.564352013e+00 2.64 -2.187628538e+00 -2.187628538e+00 -2.403021390e+00 -2.403021390e+00 -9.066004577e-01 -9.066004577e-01 -1.635702842e+00 -1.635702842e+00 2.66 -2.090347004e+00 -2.090347004e+00 -2.412408215e+00 -2.412408215e+00 -8.517174574e-01 -8.517174574e-01 -1.690365105e+00 -1.690365105e+00 2.68 -1.992699111e+00 -1.992699111e+00 -2.410022743e+00 -2.410022743e+00 -7.992590634e-01 -7.992590634e-01 -1.730445838e+00 -1.730445838e+00 2.70 -1.895554120e+00 -1.895554120e+00 -2.397290589e+00 -2.397290589e+00 -7.489592094e-01 -7.489592094e-01 -1.757906608e+00 -1.757906608e+00 2.72 -1.799684437e+00 -1.799684437e+00 -2.375520686e+00 -2.375520686e+00 -7.005925492e-01 -7.005925492e-01 -1.774564999e+00 -1.774564999e+00 2.74 -1.705759148e+00 -1.705759148e+00 -2.345855558e+00 -2.345855558e+00 -6.539785162e-01 -6.539785162e-01 -1.782084737e+00 -1.782084737e+00 2.76 -1.614343207e+00 -1.614343207e+00 -2.309251258e+00 -2.309251258e+00 -6.089832647e-01 -6.089832647e-01 -1.781970809e+00 -1.781970809e+00 2.78 -1.525899017e+00 -1.525899017e+00 -2.266522189e+00 -2.266522189e+00 -5.655194283e-01 -5.655194283e-01 -1.775566805e+00 -1.775566805e+00 2.80 -1.440789563e+00 -1.440789563e+00 -2.218437068e+00 -2.218437068e+00 -5.235437519e-01 -5.235437519e-01 -1.764054832e+00 -1.764054832e+00 2.82 -1.359282974e+00 -1.359282974e+00 -2.165799909e+00 -2.165799909e+00 -4.830528346e-01 -4.830528346e-01 -1.748458448e+00 -1.748458448e+00 2.84 -1.281558356e+00 -1.281558356e+00 -2.109459770e+00 -2.109459770e+00 -4.440771373e-01 -4.440771373e-01 -1.729648577e+00 -1.729648577e+00 2.86 -1.207712747e+00 -1.207712747e+00 -2.050257014e+00 -2.050257014e+00 -4.066737142e-01 -4.066737142e-01 -1.708352135e+00 -1.708352135e+00 2.88 -1.137769129e+00 -1.137769129e+00 -1.988959360e+00 -1.988959360e+00 -3.709180349e-01 -3.709180349e-01 -1.685162865e+00 -1.685162865e+00 2.90 -1.071685143e+00 -1.071685143e+00 -1.926229537e+00 -1.926229537e+00 -3.368953962e-01 -3.368953962e-01 -1.660553920e+00 -1.660553920e+00 2.92 -1.009362310e+00 -1.009362310e+00 -1.862627334e+00 -1.862627334e+00 -3.046924160e-01 -3.046924160e-01 -1.634891467e+00 -1.634891467e+00 2.94 -9.506554771e-01 -9.506554771e-01 -1.798626849e+00 -1.798626849e+00 -2.743890816e-01 -2.743890816e-01 -1.608450076e+00 -1.608450076e+00 2.96 -8.953822990e-01 -8.953822990e-01 -1.734632705e+00 -1.734632705e+00 -2.460517790e-01 -2.460517790e-01 -1.581426028e+00 -1.581426028e+00 2.98 -8.433324921e-01 -8.433324921e-01 -1.670990254e+00 -1.670990254e+00 -2.197276494e-01 -2.197276494e-01 -1.553952631e+00 -1.553952631e+00 3.00 -7.942767667e-01 -7.942767667e-01 -1.607991380e+00 -1.607991380e+00 -1.954405023e-01 -1.954405023e-01 -1.526112786e+00 -1.526112786e+00 3.02 -7.479748439e-01 -7.479748439e-01 -1.545878102e+00 -1.545878102e+00 -1.731884133e-01 -1.731884133e-01 -1.497949747e+00 -1.497949747e+00 3.04 -7.041849331e-01 -7.041849331e-01 -1.484848809e+00 -1.484848809e+00 -1.529429986e-01 -1.529429986e-01 -1.469479311e+00 -1.469479311e+00 3.06 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