# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--In-N # implementation = 2009--Do-E-C--In-N--LAMMPS--ipr1 # composition = InN # 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 3.072766833e+03 3.072766833e+03 nan nan 0.68 nan nan nan nan 2.815173988e+03 2.815173988e+03 nan nan 0.70 nan nan nan nan 2.578452349e+03 2.578452349e+03 nan nan 0.72 nan nan nan nan 2.360951305e+03 2.360951305e+03 nan nan 0.74 nan nan nan nan 2.161148447e+03 2.161148447e+03 nan nan 0.76 nan nan nan nan 1.977639739e+03 1.977639739e+03 nan nan 0.78 2.653793388e+03 2.653793388e+03 nan nan 1.809130455e+03 1.809130455e+03 nan nan 0.80 2.428916431e+03 2.428916431e+03 nan nan 1.654426784e+03 1.654426784e+03 nan nan 0.82 2.222526601e+03 2.222526601e+03 nan nan 1.512428085e+03 1.512428085e+03 nan nan 0.84 2.033117498e+03 2.033117498e+03 2.770803345e+03 2.770803345e+03 1.382119722e+03 1.382119722e+03 nan nan 0.86 1.859306858e+03 1.859306858e+03 2.536347128e+03 2.536347128e+03 1.262566446e+03 1.262566446e+03 2.657246312e+03 2.657246312e+03 0.88 1.699826328e+03 1.699826328e+03 2.321121148e+03 2.321121148e+03 1.152906282e+03 1.152906282e+03 2.435964690e+03 2.435964690e+03 0.90 1.553511948e+03 1.553511948e+03 2.123567823e+03 2.123567823e+03 1.052344877e+03 1.052344877e+03 2.232713289e+03 2.232713289e+03 0.92 1.419295356e+03 1.419295356e+03 1.942257294e+03 1.942257294e+03 9.601502834e+02 9.601502834e+02 2.046037968e+03 2.046037968e+03 0.94 1.296195679e+03 1.296195679e+03 1.775876597e+03 1.775876597e+03 8.756481310e+02 8.756481310e+02 1.874603286e+03 1.874603286e+03 0.96 1.183312110e+03 1.183312110e+03 1.623219756e+03 1.623219756e+03 7.982171807e+02 7.982171807e+02 1.717182450e+03 1.717182450e+03 0.98 1.079817112e+03 1.079817112e+03 1.483178711e+03 1.483178711e+03 7.272852050e+02 7.272852050e+02 1.572648121e+03 1.572648121e+03 1.00 9.849502259e+02 9.849502259e+02 1.354735052e+03 1.354735052e+03 6.623251909e+02 6.623251909e+02 1.439964021e+03 1.439964021e+03 1.02 8.980124272e+02 8.980124272e+02 1.236952487e+03 1.236952487e+03 6.028518298e+02 6.028518298e+02 1.318177299e+03 1.318177299e+03 1.04 8.183609910e+02 8.183609910e+02 1.128969981e+03 1.128969981e+03 5.484182768e+02 5.484182768e+02 1.206411566e+03 1.206411566e+03 1.06 7.454048182e+02 7.454048182e+02 1.029995521e+03 1.029995521e+03 4.986131592e+02 4.986131592e+02 1.103860567e+03 1.103860567e+03 1.08 6.786001788e+02 6.786001788e+02 9.393004293e+02 9.393004293e+02 4.530578126e+02 4.530578126e+02 1.009782411e+03 1.009782411e+03 1.10 6.174468379e+02 6.174468379e+02 8.562141893e+02 8.562141893e+02 4.114037316e+02 4.114037316e+02 9.234943168e+02 9.234943168e+02 1.12 5.614845169e+02 5.614845169e+02 7.801197221e+02 7.801197221e+02 3.733302131e+02 3.733302131e+02 8.443678147e+02 8.443678147e+02 1.14 5.102896699e+02 5.102896699e+02 7.104490795e+02 7.104490795e+02 3.385421845e+02 3.385421845e+02 7.718243766e+02 7.718243766e+02 1.16 4.634725314e+02 4.634725314e+02 6.466795003e+02 6.466795003e+02 3.067681956e+02 3.067681956e+02 7.053314078e+02 7.053314078e+02 1.18 4.206744194e+02 4.206744194e+02 5.883298087e+02 5.883298087e+02 2.777585685e+02 2.777585685e+02 6.443985900e+02 6.443985900e+02 1.20 3.815652611e+02 3.815652611e+02 5.349571087e+02 5.349571087e+02 2.512836872e+02 2.512836872e+02 5.885745221e+02 5.885745221e+02 1.22 3.458413272e+02 3.458413272e+02 4.861537564e+02 4.861537564e+02 2.271324217e+02 2.271324217e+02 5.374436452e+02 5.374436452e+02 1.24 3.132231490e+02 3.132231490e+02 4.415445777e+02 4.415445777e+02 2.051106722e+02 2.051106722e+02 4.906234153e+02 4.906234153e+02 1.26 2.834536060e+02 2.834536060e+02 4.007843127e+02 4.007843127e+02 1.850400271e+02 1.850400271e+02 4.477617068e+02 4.477617068e+02 1.28 2.562961675e+02 2.562961675e+02 3.635552659e+02 3.635552659e+02 1.667565245e+02 1.667565245e+02 4.085344247e+02 4.085344247e+02 1.30 2.315332730e+02 2.315332730e+02 3.295651415e+02 3.295651415e+02 1.501095095e+02 1.501095095e+02 3.726433054e+02 3.726433054e+02 1.32 2.089648431e+02 2.089648431e+02 2.985450532e+02 2.985450532e+02 1.349605809e+02 1.349605809e+02 3.398138941e+02 3.398138941e+02 1.34 1.884069051e+02 1.884069051e+02 2.702476872e+02 2.702476872e+02 1.211826189e+02 1.211826189e+02 3.097936780e+02 3.097936780e+02 1.36 1.696903289e+02 1.696903289e+02 2.444456121e+02 2.444456121e+02 1.086588896e+02 1.086588896e+02 2.823503693e+02 2.823503693e+02 1.38 1.526596592e+02 1.526596592e+02 2.209297179e+02 2.209297179e+02 9.728221809e+01 9.728221809e+01 2.572703188e+02 2.572703188e+02 1.40 1.371720407e+02 1.371720407e+02 1.995077785e+02 1.995077785e+02 8.695422712e+01 8.695422712e+01 2.343570554e+02 2.343570554e+02 1.42 1.230962253e+02 1.230962253e+02 1.800031245e+02 1.800031245e+02 7.758463426e+01 7.758463426e+01 2.134299367e+02 2.134299367e+02 1.44 1.103116568e+02 1.103116568e+02 1.622534193e+02 1.622534193e+02 6.909060492e+01 6.909060492e+01 1.943229065e+02 1.943229065e+02 1.46 9.870762679e+01 9.870762679e+01 1.461095294e+02 1.461095294e+02 6.139615545e+01 6.139615545e+01 1.768833460e+02 1.768833460e+02 1.48 8.818249543e+01 8.818249543e+01 1.314344827e+02 1.314344827e+02 5.443160331e+01 5.443160331e+01 1.609710158e+02 1.609710158e+02 1.50 7.864297283e+01 7.864297283e+01 1.181025072e+02 1.181025072e+02 4.813306045e+01 4.813306045e+01 1.464570786e+02 1.464570786e+02 1.52 7.000345575e+01 7.000345575e+01 1.059981431e+02 1.059981431e+02 4.244196624e+01 4.244196624e+01 1.332231974e+02 1.332231974e+02 1.54 6.218541635e+01 6.218541635e+01 9.501542529e+01 9.501542529e+01 3.730465773e+01 3.730465773e+01 1.211607047e+02 1.211607047e+02 1.56 5.511683744e+01 5.511683744e+01 8.505712737e+01 8.505712737e+01 3.267197310e+01 3.267197310e+01 1.101698343e+02 1.101698343e+02 1.58 4.873169261e+01 4.873169261e+01 7.603406594e+01 7.603406594e+01 2.849888716e+01 2.849888716e+01 1.001590140e+02 1.001590140e+02 1.60 4.296946576e+01 4.296946576e+01 6.786445739e+01 6.786445739e+01 2.474417503e+01 2.474417503e+01 9.104421268e+01 9.104421268e+01 1.62 3.777470893e+01 3.777470893e+01 6.047332599e+01 6.047332599e+01 2.137010303e+01 2.137010303e+01 8.274833801e+01 8.274833801e+01 1.64 3.309663397e+01 3.309663397e+01 5.379195702e+01 5.379195702e+01 1.834214363e+01 1.834214363e+01 7.520068131e+01 7.520068131e+01 1.66 2.888873652e+01 2.888873652e+01 4.775739338e+01 4.775739338e+01 1.562871344e+01 1.562871344e+01 6.833640561e+01 6.833640561e+01 1.68 2.510844924e+01 2.510844924e+01 4.231197099e+01 4.231197099e+01 1.320093177e+01 1.320093177e+01 6.209607359e+01 6.209607359e+01 1.70 2.171682228e+01 2.171682228e+01 3.740289080e+01 3.740289080e+01 1.103239858e+01 1.103239858e+01 5.642521255e+01 5.642521255e+01 1.72 1.867822893e+01 1.867822893e+01 3.298182443e+01 3.298182443e+01 9.098990264e+00 9.098990264e+00 5.127391354e+01 5.127391354e+01 1.74 1.596009432e+01 1.596009432e+01 2.900455055e+01 2.900455055e+01 7.378671483e+00 7.378671483e+00 4.659646174e+01 4.659646174e+01 1.76 1.353264574e+01 1.353264574e+01 2.543062032e+01 2.543062032e+01 5.851322454e+00 5.851322454e+00 4.235099634e+01 4.235099634e+01 1.78 1.136868245e+01 1.136868245e+01 2.222304870e+01 2.222304870e+01 4.498579769e+00 4.498579769e+00 3.849919672e+01 3.849919672e+01 1.80 9.443364073e+00 9.443364073e+00 1.934803082e+01 1.934803082e+01 3.303690319e+00 3.303690319e+00 3.500599398e+01 3.500599398e+01 1.82 7.734015471e+00 7.734015471e+00 1.677468021e+01 1.677468021e+01 2.251376731e+00 2.251376731e+00 3.183930479e+01 3.183930479e+01 1.84 6.219947465e+00 6.219947465e+00 1.447478838e+01 1.447478838e+01 1.327713916e+00 1.327713916e+00 2.896978686e+01 2.896978686e+01 1.86 4.882291633e+00 4.882291633e+00 1.242260314e+01 1.242260314e+01 5.200154125e-01 5.200154125e-01 2.637061343e+01 2.637061343e+01 1.88 3.703848534e+00 3.703848534e+00 1.059462492e+01 1.059462492e+01 -1.832709037e-01 -1.832709037e-01 2.401726605e+01 2.401726605e+01 1.90 2.668947981e+00 2.668947981e+00 8.969419216e+00 8.969419216e+00 -7.926587211e-01 -7.926587211e-01 2.188734373e+01 2.188734373e+01 1.92 1.763320624e+00 1.763320624e+00 7.527444155e+00 7.527444155e+00 -1.317711342e+00 -1.317711342e+00 1.996038747e+01 1.996038747e+01 1.94 9.739798992e-01 9.739798992e-01 6.250891965e+00 6.250891965e+00 -1.767122536e+00 -1.767122536e+00 1.821771885e+01 1.821771885e+01 1.96 2.891134730e-01 2.891134730e-01 5.123543127e+00 5.123543127e+00 -2.148790816e+00 -2.148790816e+00 1.664229153e+01 1.664229153e+01 1.98 -3.020164048e-01 -3.020164048e-01 4.130632480e+00 4.130632480e+00 -2.469887553e+00 -2.469887553e+00 1.521855489e+01 1.521855489e+01 2.00 -8.091645738e-01 -8.091645738e-01 3.258725993e+00 3.258725993e+00 -2.736919574e+00 -2.736919574e+00 1.393232849e+01 1.393232849e+01 2.02 -1.241187008e+00 -1.241187008e+00 2.495607754e+00 2.495607754e+00 -2.955786508e+00 -2.955786508e+00 1.277068692e+01 1.277068692e+01 2.04 -1.606118130e+00 -1.606118130e+00 1.830175983e+00 1.830175983e+00 -3.131833477e+00 -3.131833477e+00 1.172185376e+01 1.172185376e+01 2.06 -1.911241650e+00 -1.911241650e+00 1.252347712e+00 1.252347712e+00 -3.269899342e+00 -3.269899342e+00 1.077510438e+01 1.077510438e+01 2.08 -2.163155683e+00 -2.163155683e+00 7.529711430e-01 7.529711430e-01 -3.374361011e+00 -3.374361011e+00 9.920676577e+00 9.920676577e+00 2.10 -2.367832405e+00 -2.367832405e+00 3.237453143e-01 3.237453143e-01 -3.449173994e+00 -3.449173994e+00 9.149688520e+00 9.149688520e+00 2.12 -2.530672826e+00 -2.530672826e+00 -4.285367635e-02 -4.285367635e-02 -3.497909606e+00 -3.497909606e+00 8.454063457e+00 8.454063457e+00 2.14 -2.656556989e+00 -2.656556989e+00 -3.536403167e-01 -3.536403167e-01 -3.523789042e+00 -3.523789042e+00 7.826460589e+00 7.826460589e+00 2.16 -2.749889971e+00 -2.749889971e+00 -6.147817089e-01 -6.147817089e-01 -3.529714573e+00 -3.529714573e+00 7.260211671e+00 7.260211671e+00 2.18 -2.814644081e+00 -2.814644081e+00 -8.318544689e-01 -8.318544689e-01 -3.518298137e+00 -3.518298137e+00 6.749262810e+00 6.749262810e+00 2.20 -2.854397455e+00 -2.854397455e+00 -1.009896823e+00 -1.009896823e+00 -3.491887479e+00 -3.491887479e+00 6.288121148e+00 6.288121148e+00 2.22 -2.872369471e+00 -2.872369471e+00 -1.153456405e+00 -1.153456405e+00 -3.452590104e+00 -3.452590104e+00 5.871805904e+00 5.871805904e+00 2.24 -2.871453097e+00 -2.871453097e+00 -1.266633970e+00 -1.266633970e+00 -3.402295157e+00 -3.402295157e+00 5.495803568e+00 5.495803568e+00 2.26 -2.854244564e+00 -2.854244564e+00 -1.353123483e+00 -1.353123483e+00 -3.342693462e+00 -3.342693462e+00 5.156026779e+00 5.156026779e+00 2.28 -2.823070459e+00 -2.823070459e+00 -1.416248760e+00 -1.416248760e+00 -3.275295814e+00 -3.275295814e+00 4.848776697e+00 4.848776697e+00 2.30 -2.780012535e+00 -2.780012535e+00 -1.458997048e+00 -1.458997048e+00 -3.201449718e+00 -3.201449718e+00 4.570708497e+00 4.570708497e+00 2.32 -2.726930372e+00 -2.726930372e+00 -1.484049696e+00 -1.484049696e+00 -3.122354664e+00 -3.122354664e+00 4.318799810e+00 4.318799810e+00 2.34 -2.665482097e+00 -2.665482097e+00 -1.493810235e+00 -1.493810235e+00 -3.039076084e+00 -3.039076084e+00 4.090321803e+00 4.090321803e+00 2.36 -2.597143306e+00 -2.597143306e+00 -1.490430030e+00 -1.490430030e+00 -2.952558086e+00 -2.952558086e+00 3.882812732e+00 3.882812732e+00 2.38 -2.523224336e+00 -2.523224336e+00 -1.475831718e+00 -1.475831718e+00 -2.863635078e+00 -2.863635078e+00 3.694053736e+00 3.694053736e+00 2.40 -2.444886039e+00 -2.444886039e+00 -1.451730624e+00 -1.451730624e+00 -2.773042365e+00 -2.773042365e+00 3.522046698e+00 3.522046698e+00 2.42 -2.363154160e+00 -2.363154160e+00 -1.419654305e+00 -1.419654305e+00 -2.681425809e+00 -2.681425809e+00 3.364994019e+00 3.364994019e+00 2.44 -2.278932459e+00 -2.278932459e+00 -1.380960395e+00 -1.380960395e+00 -2.589350634e+00 -2.589350634e+00 3.221280101e+00 3.221280101e+00 2.46 -2.193014656e+00 -2.193014656e+00 -1.336852869e+00 -1.336852869e+00 -2.497309440e+00 -2.497309440e+00 3.089454467e+00 3.089454467e+00 2.48 -2.106095328e+00 -2.106095328e+00 -1.288396893e+00 -1.288396893e+00 -2.405729503e+00 -2.405729503e+00 2.968216310e+00 2.968216310e+00 2.50 -2.018779815e+00 -2.018779815e+00 -1.236532337e+00 -1.236532337e+00 -2.314979408e+00 -2.314979408e+00 2.856400412e+00 2.856400412e+00 2.52 -1.931593243e+00 -1.931593243e+00 -1.182086098e+00 -1.182086098e+00 -2.225375087e+00 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