# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Cl3Na # 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 5.079512295e+03 nan nan 1.12 4.300911280e+03 nan nan 1.14 3.654169835e+03 nan nan 1.16 3.115058065e+03 nan nan 1.18 2.664248832e+03 nan nan 1.20 2.285959908e+03 5.065200174e+03 nan 1.22 1.967457632e+03 nan nan 1.24 1.698483541e+03 3.743495376e+03 nan 1.26 1.470716354e+03 3.231949039e+03 4.074457132e+03 1.28 1.277218645e+03 2.798092050e+03 3.525676620e+03 1.30 1.112387924e+03 2.429132090e+03 3.058968412e+03 1.32 9.715088628e+02 2.114297837e+03 2.660886272e+03 1.34 8.508101896e+02 1.845191259e+03 2.320716657e+03 1.36 7.470847810e+02 1.614379538e+03 2.029070361e+03 1.38 6.578096952e+02 1.415902848e+03 1.778530925e+03 1.40 5.806914985e+02 1.244904914e+03 1.562678995e+03 1.42 5.139518096e+02 1.097112679e+03 1.376248478e+03 1.44 4.560082222e+02 9.691229799e+02 1.214847379e+03 1.46 4.055848598e+02 8.581655572e+02 1.074793141e+03 1.48 3.616115584e+02 7.616332500e+02 9.531380669e+02 1.50 3.231470293e+02 6.774325817e+02 8.471207198e+02 1.52 2.894379704e+02 6.038539205e+02 7.545047196e+02 1.54 2.598453627e+02 5.394765576e+02 6.735324624e+02 1.56 2.337704933e+02 4.829773531e+02 6.024997137e+02 1.58 2.107418769e+02 4.332842544e+02 5.400589272e+02 1.60 1.903612281e+02 3.894922723e+02 4.850949382e+02 1.62 1.722736169e+02 3.508551747e+02 4.365817187e+02 1.64 1.561919431e+02 3.166579704e+02 3.936708546e+02 1.66 1.418661516e+02 2.863216878e+02 3.556453494e+02 1.68 1.290748970e+02 2.593609291e+02 3.219146073e+02 1.70 1.176292253e+02 2.353525488e+02 2.919005061e+02 1.72 1.073694721e+02 2.139414517e+02 2.651408664e+02 1.74 9.815924459e+01 1.948194033e+02 2.412374727e+02 1.76 8.988015475e+01 1.776874480e+02 2.198772857e+02 1.78 8.241824796e+01 1.623123333e+02 2.007353018e+02 1.80 7.567918074e+01 1.484897770e+02 1.835439578e+02 1.82 6.958421737e+01 1.360397892e+02 1.680767612e+02 1.84 6.406655509e+01 1.248161796e+02 1.541323267e+02 1.86 5.906426800e+01 1.146914515e+02 1.415546502e+02 1.88 5.451626524e+01 1.055340479e+02 1.301833618e+02 1.90 5.037448025e+01 9.723494487e+01 1.198816508e+02 1.92 4.659500292e+01 8.970144712e+01 1.105339711e+02 1.94 4.314020928e+01 8.285143370e+01 1.020416956e+02 1.96 3.997639002e+01 7.661566123e+01 9.431547298e+01 1.98 3.707418147e+01 7.093143663e+01 8.728301965e+01 2.00 3.440551551e+01 6.574356388e+01 8.086450281e+01 2.02 3.194687453e+01 6.099998335e+01 7.499921452e+01 2.04 2.967751131e+01 5.665400598e+01 6.963245176e+01 2.06 2.757906081e+01 5.266547628e+01 6.471516978e+01 2.08 2.563554895e+01 4.899910065e+01 6.020300561e+01 2.10 2.383364460e+01 4.562339649e+01 5.605513233e+01 2.12 2.216031993e+01 4.251143622e+01 5.224460118e+01 2.14 2.060143192e+01 3.963851895e+01 4.873671213e+01 2.16 1.914863940e+01 3.698252062e+01 4.549898359e+01 2.18 1.779568060e+01 3.452359321e+01 4.250565225e+01 2.20 1.653419425e+01 3.224307022e+01 3.973147028e+01 2.22 1.535772687e+01 3.012648503e+01 3.715833266e+01 2.24 1.426092839e+01 2.816040452e+01 3.476946021e+01 2.26 1.323828927e+01 2.632995594e+01 3.254843919e+01 2.28 1.228530201e+01 2.462236549e+01 3.048078961e+01 2.30 1.139696005e+01 2.302696255e+01 2.855411243e+01 2.32 1.056867259e+01 2.153454724e+01 2.675716424e+01 2.34 9.795487660e+00 2.013455620e+01 2.507826470e+01 2.36 9.075286305e+00 1.882235008e+01 2.350892489e+01 2.38 8.404582719e+00 1.759147536e+01 2.204095308e+01 2.40 7.779765416e+00 1.643591164e+01 2.066746701e+01 2.42 7.196230046e+00 1.535022526e+01 1.938157557e+01 2.44 6.652889438e+00 1.432972924e+01 1.817702746e+01 2.46 6.146711720e+00 1.337016394e+01 1.704809508e+01 2.48 5.674838619e+00 1.246809268e+01 1.598947668e+01 2.50 5.234666187e+00 1.162012660e+01 1.499347125e+01 2.52 4.823954109e+00 1.082337573e+01 1.405890487e+01 2.54 4.440472440e+00 1.007519406e+01 1.318200231e+01 2.56 4.082315542e+00 9.371094479e+00 1.235885184e+01 2.58 3.747807119e+00 8.710349333e+00 1.158492116e+01 2.60 3.435462678e+00 8.091292820e+00 1.085677385e+01 2.62 3.143970534e+00 7.510883817e+00 1.017127497e+01 2.64 2.872186316e+00 6.967465212e+00 9.525575843e+00 2.66 2.619058824e+00 6.459878251e+00 8.917011923e+00 2.68 2.383670355e+00 5.986173922e+00 8.343281253e+00 2.70 2.165165600e+00 5.544444537e+00 7.801516013e+00 2.72 1.962314332e+00 5.132880237e+00 7.290573816e+00 2.74 1.774778596e+00 4.749754742e+00 6.808646371e+00 2.76 1.601970606e+00 4.393391118e+00 6.354005126e+00 2.78 1.443147662e+00 4.062151864e+00 5.925062689e+00 2.80 1.297548028e+00 3.754428047e+00 5.520263982e+00 2.82 1.163729170e+00 3.468620036e+00 5.138043753e+00 2.84 1.041828225e+00 3.203236095e+00 4.776892206e+00 2.86 9.309922913e-01 2.956350503e+00 4.436465307e+00 2.88 8.303572164e-01 2.726966688e+00 4.115732048e+00 2.90 7.390754982e-01 2.513793030e+00 3.813747804e+00 2.92 6.563033843e-01 2.315468756e+00 3.529288741e+00 2.94 5.811177212e-01 2.130734837e+00 3.261311419e+00 2.96 5.122201506e-01 1.958442873e+00 3.008049148e+00 2.98 4.495899581e-01 1.797453104e+00 2.770293889e+00 3.00 3.924223909e-01 1.646760569e+00 2.547248118e+00 3.02 3.399652936e-01 1.505496664e+00 2.338173457e+00 3.04 2.915248724e-01 1.372911841e+00 2.142385024e+00 3.06 2.464704502e-01 1.248284970e+00 1.959223060e+00 3.08 2.042379877e-01 1.131033573e+00 1.788055039e+00 3.10 1.643322007e-01 1.020668290e+00 1.628274592e+00 3.12 1.263271755e-01 9.167712468e-01 1.479268503e+00 3.14 8.986545640e-02 8.189989348e-01 1.340436493e+00 3.16 5.465565384e-02 7.270712302e-01 1.211178764e+00 3.18 2.046869173e-02 6.407433390e-01 1.090895016e+00 3.20 -1.286712548e-02 5.598027073e-01 9.789854751e-01 3.22 -4.547128666e-02 4.840596289e-01 8.748536625e-01 3.24 -7.743579908e-02 4.133331161e-01 7.778741363e-01 3.26 -1.087958951e-01 3.474267156e-01 6.874803509e-01 3.28 -1.395368587e-01 2.861658764e-01 6.031567179e-01 3.30 -1.700181742e-01 2.290351334e-01 5.236159592e-01 3.32 -1.998241428e-01 1.761640157e-01 4.491166167e-01 3.34 -2.288100631e-01 1.274136937e-01 3.793827559e-01 3.36 -2.569518326e-01 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