# 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_003 # 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 2022-10-04 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 4.949329813e+03 4.949329813e+03 nan nan 0.60 nan nan nan nan 4.400126444e+03 4.400126444e+03 nan nan 0.62 nan nan nan nan 3.936267365e+03 3.936267365e+03 nan nan 0.64 nan nan nan nan 3.521643660e+03 3.521643660e+03 nan nan 0.66 5.132210491e+03 5.132210491e+03 nan nan 3.139487216e+03 3.139487216e+03 nan nan 0.68 4.604494479e+03 4.604494479e+03 nan nan 2.797013212e+03 2.797013212e+03 nan nan 0.70 4.135417218e+03 4.135417218e+03 nan nan 2.509695971e+03 2.509695971e+03 nan nan 0.72 3.730716958e+03 3.730716958e+03 5.056486872e+03 5.056486872e+03 2.266389150e+03 2.266389150e+03 nan nan 0.74 3.380311551e+03 3.380311551e+03 4.592343429e+03 4.592343429e+03 2.049099342e+03 2.049099342e+03 4.849078264e+03 4.849078264e+03 0.76 3.075490935e+03 3.075490935e+03 4.181979967e+03 4.181979967e+03 1.857703558e+03 1.857703558e+03 4.408051663e+03 4.408051663e+03 0.78 2.795495135e+03 2.795495135e+03 3.811260101e+03 3.811260101e+03 1.679154056e+03 1.679154056e+03 4.004131512e+03 4.004131512e+03 0.80 2.543691420e+03 2.543691420e+03 3.477615505e+03 3.477615505e+03 1.516837395e+03 1.516837395e+03 3.631218411e+03 3.631218411e+03 0.82 2.322380211e+03 2.322380211e+03 3.164411913e+03 3.164411913e+03 1.370205604e+03 1.370205604e+03 3.299103885e+03 3.299103885e+03 0.84 2.118390157e+03 2.118390157e+03 2.874736941e+03 2.874736941e+03 1.240287042e+03 1.240287042e+03 3.009081333e+03 3.009081333e+03 0.86 1.933287070e+03 1.933287070e+03 2.609318977e+03 2.609318977e+03 1.123016215e+03 1.123016215e+03 2.751824943e+03 2.751824943e+03 0.88 1.762133720e+03 1.762133720e+03 2.375135166e+03 2.375135166e+03 1.017542350e+03 1.017542350e+03 2.520011044e+03 2.520011044e+03 0.90 1.601231337e+03 1.601231337e+03 2.175657912e+03 2.175657912e+03 9.280855353e+02 9.280855353e+02 2.310601965e+03 2.310601965e+03 0.92 1.452139649e+03 1.452139649e+03 2.005501990e+03 2.005501990e+03 8.521436370e+02 8.521436370e+02 2.118981249e+03 2.118981249e+03 0.94 1.316485851e+03 1.316485851e+03 1.846189517e+03 1.846189517e+03 7.789554493e+02 7.789554493e+02 1.945409386e+03 1.945409386e+03 0.96 1.193967046e+03 1.193967046e+03 1.694211672e+03 1.694211672e+03 7.081200224e+02 7.081200224e+02 1.786032547e+03 1.786032547e+03 0.98 1.083594798e+03 1.083594798e+03 1.550384652e+03 1.550384652e+03 6.401792781e+02 6.401792781e+02 1.643227372e+03 1.643227372e+03 1.00 9.851810439e+02 9.851810439e+02 1.417221537e+03 1.417221537e+03 5.766527222e+02 5.766527222e+02 1.516847954e+03 1.516847954e+03 1.02 9.006294387e+02 9.006294387e+02 1.300442587e+03 1.300442587e+03 5.221329152e+02 5.221329152e+02 1.401438623e+03 1.401438623e+03 1.04 8.324298779e+02 8.324298779e+02 1.203051447e+03 1.203051447e+03 4.793096269e+02 4.793096269e+02 1.292754508e+03 1.292754508e+03 1.06 7.725535694e+02 7.725535694e+02 1.117452536e+03 1.117452536e+03 4.438449425e+02 4.438449425e+02 1.186494145e+03 1.186494145e+03 1.08 7.179229024e+02 7.179229024e+02 1.037181614e+03 1.037181614e+03 4.129013096e+02 4.129013096e+02 1.084181795e+03 1.084181795e+03 1.10 6.671767859e+02 6.671767859e+02 9.562509507e+02 9.562509507e+02 3.823156143e+02 3.823156143e+02 9.893165531e+02 9.893165531e+02 1.12 6.197295361e+02 6.197295361e+02 8.762965326e+02 8.762965326e+02 3.518139481e+02 3.518139481e+02 9.043229466e+02 9.043229466e+02 1.14 5.735429181e+02 5.735429181e+02 8.003255341e+02 8.003255341e+02 3.220599361e+02 3.220599361e+02 8.306885404e+02 8.306885404e+02 1.16 5.294279241e+02 5.294279241e+02 7.308125711e+02 7.308125711e+02 2.937969155e+02 2.937969155e+02 7.664029875e+02 7.664029875e+02 1.18 4.887632253e+02 4.887632253e+02 6.693049140e+02 6.693049140e+02 2.678330812e+02 2.678330812e+02 7.108992830e+02 7.108992830e+02 1.20 4.525718299e+02 4.525718299e+02 6.152015127e+02 6.152015127e+02 2.446801746e+02 2.446801746e+02 6.608314065e+02 6.608314065e+02 1.22 4.201972421e+02 4.201972421e+02 5.690899213e+02 5.690899213e+02 2.248918829e+02 2.248918829e+02 6.130742204e+02 6.130742204e+02 1.24 3.887121628e+02 3.887121628e+02 5.305858202e+02 5.305858202e+02 2.084158773e+02 2.084158773e+02 5.673678694e+02 5.673678694e+02 1.26 3.569716124e+02 3.569716124e+02 4.950221664e+02 4.950221664e+02 1.929561678e+02 1.929561678e+02 5.238583192e+02 5.238583192e+02 1.28 3.252400526e+02 3.252400526e+02 4.615225122e+02 4.615225122e+02 1.781720925e+02 1.781720925e+02 4.822841446e+02 4.822841446e+02 1.30 2.942467632e+02 2.942467632e+02 4.301283933e+02 4.301283933e+02 1.640836015e+02 1.640836015e+02 4.433247123e+02 4.433247123e+02 1.32 2.648746573e+02 2.648746573e+02 4.006877152e+02 4.006877152e+02 1.505329118e+02 1.505329118e+02 4.073315269e+02 4.073315269e+02 1.34 2.382531104e+02 2.382531104e+02 3.727941828e+02 3.727941828e+02 1.371348807e+02 1.371348807e+02 3.743737855e+02 3.743737855e+02 1.36 2.156906871e+02 2.156906871e+02 3.463946229e+02 3.463946229e+02 1.236730246e+02 1.236730246e+02 3.447412954e+02 3.447412954e+02 1.38 1.980931756e+02 1.980931756e+02 3.212219466e+02 3.212219466e+02 1.098973396e+02 1.098973396e+02 3.176573886e+02 3.176573886e+02 1.40 1.846084169e+02 1.846084169e+02 2.972124803e+02 2.972124803e+02 9.554729982e+01 9.554729982e+01 2.931823552e+02 2.931823552e+02 1.42 1.720226852e+02 1.720226852e+02 2.744726692e+02 2.744726692e+02 8.042911371e+01 8.042911371e+01 2.715151104e+02 2.715151104e+02 1.44 1.599045264e+02 1.599045264e+02 2.517805064e+02 2.517805064e+02 6.448417964e+01 6.448417964e+01 2.522728543e+02 2.522728543e+02 1.46 1.482654891e+02 1.482654891e+02 2.296732866e+02 2.296732866e+02 5.055408236e+01 5.055408236e+01 2.346409231e+02 2.346409231e+02 1.48 1.371752866e+02 1.371752866e+02 2.086128162e+02 2.086128162e+02 4.205147417e+01 4.205147417e+01 2.183654228e+02 2.183654228e+02 1.50 1.266374215e+02 1.266374215e+02 1.880934803e+02 1.880934803e+02 3.420758230e+01 3.420758230e+01 2.033350177e+02 2.033350177e+02 1.52 1.165633791e+02 1.165633791e+02 1.683079420e+02 1.683079420e+02 2.631822841e+01 2.631822841e+01 1.894588619e+02 1.894588619e+02 1.54 1.066921108e+02 1.066921108e+02 1.494440601e+02 1.494440601e+02 1.875499784e+01 1.875499784e+01 1.757815860e+02 1.757815860e+02 1.56 9.689054651e+01 9.689054651e+01 1.321041149e+02 1.321041149e+02 1.197479171e+01 1.197479171e+01 1.617307084e+02 1.617307084e+02 1.58 8.667979975e+01 8.667979975e+01 1.170960783e+02 1.170960783e+02 6.490750573e+00 6.490750573e+00 1.475789648e+02 1.475789648e+02 1.60 7.568547216e+01 7.568547216e+01 1.052394931e+02 1.052394931e+02 2.766646270e+00 2.766646270e+00 1.335664359e+02 1.335664359e+02 1.62 6.379750652e+01 6.379750652e+01 9.703091270e+01 9.703091270e+01 1.045448089e+00 1.045448089e+00 1.197442429e+02 1.197442429e+02 1.64 5.093893418e+01 5.093893418e+01 9.070468417e+01 9.070468417e+01 2.680526645e-01 2.680526645e-01 1.064576925e+02 1.064576925e+02 1.66 3.742635511e+01 3.742635511e+01 8.477930396e+01 8.477930396e+01 -4.289473799e-01 -4.289473799e-01 9.393290812e+01 9.393290812e+01 1.68 2.499277310e+01 2.499277310e+01 7.912503731e+01 7.912503731e+01 -1.095608329e+00 -1.095608329e+00 8.251592809e+01 8.251592809e+01 1.70 1.748764547e+01 1.748764547e+01 7.348544540e+01 7.348544540e+01 -1.822369267e+00 -1.822369267e+00 7.263047803e+01 7.263047803e+01 1.72 1.305132115e+01 1.305132115e+01 6.794791773e+01 6.794791773e+01 -2.539031651e+00 -2.539031651e+00 6.462697610e+01 6.462697610e+01 1.74 9.358135946e+00 9.358135946e+00 6.261747681e+01 6.261747681e+01 -3.164978654e+00 -3.164978654e+00 5.869787997e+01 5.869787997e+01 1.76 6.554992139e+00 6.554992139e+00 5.747752570e+01 5.747752570e+01 -3.642226621e+00 -3.642226621e+00 5.446710179e+01 5.446710179e+01 1.78 4.715276129e+00 4.715276129e+00 5.259731858e+01 5.259731858e+01 -3.953311145e+00 -3.953311145e+00 5.080437108e+01 5.080437108e+01 1.80 3.711046158e+00 3.711046158e+00 4.803582609e+01 4.803582609e+01 -4.124815370e+00 -4.124815370e+00 4.739191684e+01 4.739191684e+01 1.82 2.888349875e+00 2.888349875e+00 4.380880505e+01 4.380880505e+01 -4.214120593e+00 -4.214120593e+00 4.419913525e+01 4.419913525e+01 1.84 2.141846982e+00 2.141846982e+00 3.989816426e+01 3.989816426e+01 -4.283953594e+00 -4.283953594e+00 4.121219930e+01 4.121219930e+01 1.86 1.465759877e+00 1.465759877e+00 3.623806755e+01 3.623806755e+01 -4.368191367e+00 -4.368191367e+00 3.841376878e+01 3.841376878e+01 1.88 8.547118061e-01 8.547118061e-01 3.265483180e+01 3.265483180e+01 -4.436178961e+00 -4.436178961e+00 3.573635390e+01 3.573635390e+01 1.90 3.037003921e-01 3.037003921e-01 2.910375101e+01 2.910375101e+01 -4.483990936e+00 -4.483990936e+00 3.316804122e+01 3.316804122e+01 1.92 -1.919271375e-01 -1.919271375e-01 2.555667264e+01 2.555667264e+01 -4.513615565e+00 -4.513615565e+00 3.072165678e+01 3.072165678e+01 1.94 -6.892022580e-01 -6.892022580e-01 2.198276065e+01 2.198276065e+01 -4.526884678e+00 -4.526884678e+00 2.839291911e+01 2.839291911e+01 1.96 -1.261687817e+00 -1.261687817e+00 1.835359477e+01 1.835359477e+01 -4.525484798e+00 -4.525484798e+00 2.613233364e+01 2.613233364e+01 1.98 -1.857824437e+00 -1.857824437e+00 1.465601012e+01 1.465601012e+01 -4.510967528e+00 -4.510967528e+00 2.395426878e+01 2.395426878e+01 2.00 -2.419612931e+00 -2.419612931e+00 1.092077124e+01 1.092077124e+01 -4.484759234e+00 -4.484759234e+00 2.187219214e+01 2.187219214e+01 2.02 -2.897435466e+00 -2.897435466e+00 7.277068113e+00 7.277068113e+00 -4.448170077e+00 -4.448170077e+00 1.988140419e+01 1.988140419e+01 2.04 -3.260290675e+00 -3.260290675e+00 4.026103125e+00 4.026103125e+00 -4.402402431e+00 -4.402402431e+00 1.797063874e+01 1.797063874e+01 2.06 -3.501182579e+00 -3.501182579e+00 1.656090976e+00 1.656090976e+00 -4.348558731e+00 -4.348558731e+00 1.613948696e+01 1.613948696e+01 2.08 -3.636065433e+00 -3.636065433e+00 6.297362374e-01 6.297362374e-01 -4.287648783e+00 -4.287648783e+00 1.436006544e+01 1.436006544e+01 2.10 -3.696433800e+00 -3.696433800e+00 2.575196508e-01 2.575196508e-01 -4.220596576e+00 -4.220596576e+00 1.261504426e+01 1.261504426e+01 2.12 -3.717815147e+00 -3.717815147e+00 -7.776506580e-02 -7.776506580e-02 -4.148246628e+00 -4.148246628e+00 1.090357495e+01 1.090357495e+01 2.14 -3.727841540e+00 -3.727841540e+00 -3.789974702e-01 -3.789974702e-01 -4.071369894e+00 -4.071369894e+00 9.223735822e+00 9.223735822e+00 2.16 -3.729111634e+00 -3.729111634e+00 -6.488536045e-01 -6.488536045e-01 -3.990669265e+00 -3.990669265e+00 7.573838773e+00 7.573838773e+00 2.18 -3.719316995e+00 -3.719316995e+00 -8.898196298e-01 -8.898196298e-01 -3.906784691e+00 -3.906784691e+00 5.955054312e+00 5.955054312e+00 2.20 -3.699653600e+00 -3.699653600e+00 -1.104204579e+00 -1.104204579e+00 -3.820297943e+00 -3.820297943e+00 4.375934148e+00 4.375934148e+00 2.22 -3.671220186e+00 -3.671220186e+00 -1.294152282e+00 -1.294152282e+00 -3.731737045e+00 -3.731737045e+00 2.859291676e+00 2.859291676e+00 2.24 -3.635025288e+00 -3.635025288e+00 -1.461652513e+00 -1.461652513e+00 -3.641580398e+00 -3.641580398e+00 1.446875492e+00 1.446875492e+00 2.26 -3.591993793e+00 -3.591993793e+00 -1.608551420e+00 -1.608551420e+00 -3.550260610e+00 -3.550260610e+00 2.092712530e-01 2.092712530e-01 2.28 -3.542973060e+00 -3.542973060e+00 -1.736561265e+00 -1.736561265e+00 -3.458168064e+00 -3.458168064e+00 -7.511704989e-01 -7.511704989e-01 2.30 -3.488738608e+00 -3.488738608e+00 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