# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Olsson-P-A-T--Au # implementation = 2010--Olsson-P-A-T--Au--LAMMPS--ipr1 # composition = Au # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 1.861609621e+03 nan 0.78 nan nan nan nan nan nan nan nan 1.685159926e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.527312209e+03 nan 0.82 nan nan nan nan nan 1.196987470e+03 nan nan 1.385857401e+03 nan 0.84 nan nan nan nan nan 1.090395156e+03 nan nan 1.258889169e+03 nan 0.86 nan nan nan nan nan 9.944692777e+02 nan nan 1.144754925e+03 nan 0.88 nan nan nan nan nan 9.079577183e+02 nan nan 1.042015106e+03 nan 0.90 nan nan nan nan nan 8.297772748e+02 nan nan 9.494083643e+02 nan 0.92 nan nan nan 1.991332805e+03 1.991383620e+03 7.589869981e+02 nan nan 8.658254432e+02 1.274254800e+03 0.94 nan 1.146593010e+03 nan 1.831535142e+03 1.831576933e+03 6.947675862e+02 1.179657757e+03 nan 7.902902163e+02 1.167055254e+03 0.96 nan 1.048358055e+03 nan 1.685589441e+03 1.685624297e+03 6.364078170e+02 1.080338192e+03 nan 7.219427866e+02 1.069687528e+03 0.98 nan 9.591178636e+02 nan 1.552158800e+03 1.552189906e+03 5.832908174e+02 9.900597748e+02 nan 6.600241112e+02 9.811623363e+02 1.00 nan 8.780008697e+02 nan 1.430057857e+03 1.430087918e+03 5.348818367e+02 9.079357164e+02 nan 6.038635253e+02 9.006026215e+02 1.02 nan 8.042271551e+02 nan 1.318231998e+03 1.318262829e+03 4.907152199e+02 8.331755503e+02 nan 5.528678455e+02 8.272257812e+02 1.04 nan 7.370983896e+02 1.077560837e+03 1.215741952e+03 1.215774633e+03 4.503815691e+02 7.650721428e+02 1.118992934e+03 5.065110802e+02 7.603320927e+02 1.06 1.121716035e+03 6.759884322e+02 9.926658897e+02 1.121748567e+03 1.121783749e+03 4.135177625e+02 7.029904960e+02 1.031347106e+03 4.643255441e+02 6.992941398e+02 1.08 1.035467219e+03 6.203339254e+02 9.149113725e+02 1.035499523e+03 1.035537560e+03 3.798002108e+02 6.463588522e+02 9.510170725e+02 4.258950292e+02 6.435495805e+02 1.10 9.562834593e+02 5.696259839e+02 8.436632218e+02 9.563186951e+02 9.563589807e+02 3.489403313e+02 5.946609368e+02 8.773620685e+02 3.908497571e+02 5.925957818e+02 1.12 8.835577870e+02 5.234033508e+02 7.783511991e+02 8.835966867e+02 8.836370590e+02 3.206802546e+02 5.474317048e+02 8.098040907e+02 3.588607205e+02 5.459822239e+02 1.14 8.167423347e+02 4.812470035e+02 7.184615878e+02 8.167822304e+02 8.168198152e+02 2.947888880e+02 5.042528869e+02 7.478183993e+02 3.296343693e+02 5.033034707e+02 1.16 7.553384629e+02 4.427764946e+02 6.635284558e+02 7.553746578e+02 7.554066513e+02 2.710587216e+02 4.647479826e+02 6.909267262e+02 3.029083933e+02 4.641956201e+02 1.18 6.988899237e+02 4.076463774e+02 6.131266081e+02 6.989177627e+02 6.989417365e+02 2.493022589e+02 4.285776087e+02 6.386921970e+02 2.784485093e+02 4.283321915e+02 1.20 6.469791104e+02 3.755436841e+02 5.668676136e+02 6.469951635e+02 6.470096098e+02 2.293492335e+02 3.954353451e+02 5.907151814e+02 2.560454180e+02 3.954189870e+02 1.22 5.992235656e+02 3.461846209e+02 5.243953443e+02 5.992268893e+02 5.992317256e+02 2.110445321e+02 3.650441339e+02 5.466301891e+02 2.355118550e+02 3.651899826e+02 1.24 5.552726969e+02 3.193121882e+02 4.853827373e+02 5.552657455e+02 5.552625132e+02 1.942462146e+02 3.371525125e+02 5.061037470e+02 2.166796413e+02 3.374048536e+02 1.26 5.148063472e+02 2.946942344e+02 4.495302116e+02 5.147935963e+02 5.147850181e+02 1.788245754e+02 3.115323797e+02 4.688319715e+02 1.993973867e+02 3.118471531e+02 1.28 4.775320524e+02 2.721214474e+02 4.165634919e+02 4.775183610e+02 4.775077256e+02 1.646617383e+02 2.879775577e+02 4.345373855e+02 1.835284332e+02 2.883225265e+02 1.30 4.431830482e+02 2.514052876e+02 3.862312769e+02 4.431724384e+02 4.431629285e+02 1.516504913e+02 2.663024188e+02 4.029665366e+02 1.689492592e+02 2.666563727e+02 1.32 4.115160420e+02 2.323750928e+02 3.583044624e+02 4.115109801e+02 4.115049328e+02 1.396933386e+02 2.463400187e+02 3.738880616e+02 1.555480623e+02 2.466911976e+02 1.34 3.823079784e+02 2.148760271e+02 3.325745923e+02 3.823093733e+02 3.823080835e+02 1.287015964e+02 2.279403254e+02 3.470903125e+02 1.432232595e+02 2.282836686e+02 1.36 3.553541985e+02 1.987678897e+02 3.088516889e+02 3.553616159e+02 3.553654814e+02 1.185942936e+02 2.109682073e+02 3.223794449e+02 1.318820943e+02 2.113032029e+02 1.38 3.304668366e+02 1.839236053e+02 2.869618296e+02 3.304789251e+02 3.304876724e+02 1.092968712e+02 1.953016115e+02 2.995778478e+02 1.214397659e+02 1.956309128e+02 1.40 3.074730446e+02 1.702281922e+02 2.667459433e+02 3.074881953e+02 3.075010804e+02 1.007404425e+02 1.808302882e+02 2.785226330e+02 1.118187092e+02 1.811584515e+02 1.42 2.862139194e+02 1.575781760e+02 2.480589377e+02 2.862306923e+02 2.862466250e+02 9.286128936e+01 1.674545645e+02 2.590647492e+02 1.029482910e+02 1.677868485e+02 1.44 2.665439593e+02 1.458806481e+02 2.307689224e+02 2.665610257e+02 2.665786716e+02 8.560089559e+01 1.550839990e+02 2.410679505e+02 9.476436974e+01 1.554254515e+02 1.46 2.483300785e+02 1.350519882e+02 2.147561197e+02 2.483461703e+02 2.483641127e+02 7.890578052e+01 1.436362191e+02 2.244076166e+02 8.720869315e+01 1.439911221e+02 1.48 2.314503847e+02 1.250167449e+02 1.999114336e+02 2.314645429e+02 2.314815236e+02 7.272697384e+01 1.330360386e+02 2.089699326e+02 8.022830939e+01 1.334074761e+02 1.50 2.157931968e+02 1.157070680e+02 1.861358971e+02 2.158050387e+02 2.158202005e+02 6.701979371e+01 1.232146103e+02 1.946511286e+02 7.377514316e+01 1.236043925e+02 1.52 2.012565927e+02 1.070620681e+02 1.733403654e+02 2.012663080e+02 2.012793067e+02 6.174375952e+01 1.141087709e+02 1.813568887e+02 6.780540748e+01 1.145179336e+02 1.54 1.877476383e+02 9.902698930e+01 1.614444978e+02 1.877558893e+02 1.877668381e+02 5.686220264e+01 1.056606306e+02 1.690016830e+02 6.227908688e+01 1.060899043e+02 1.56 1.751816356e+02 9.155252932e+01 1.503754326e+02 1.751893146e+02 1.751986115e+02 5.234176442e+01 9.781726554e+01 1.575079421e+02 5.715973575e+01 9.826740975e+01 1.58 1.634813285e+02 8.459440542e+01 1.400668566e+02 1.634894560e+02 1.634976789e+02 4.815206057e+01 9.053044120e+01 1.468053568e+02 5.241422740e+01 9.100233542e+01 1.60 1.525766540e+02 7.811283244e+01 1.304582434e+02 1.525860755e+02 1.525938320e+02 4.426537860e+01 8.375620824e+01 1.368304363e+02 4.801243555e+01 8.425077278e+01 1.62 1.424043870e+02 7.207199323e+01 1.214944571e+02 1.424154758e+02 1.424232823e+02 4.065640528e+01 7.745447120e+01 1.275259140e+02 4.392693827e+01 7.797239705e+01 1.64 1.329074954e+02 6.643941588e+01 1.131255157e+02 1.329200282e+02 1.329282353e+02 3.730206835e+01 7.158855156e+01 1.188399963e+02 4.013273968e+01 7.213002895e+01 1.66 1.240344357e+02 6.118534449e+01 1.053061154e+02 1.240476224e+02 1.240563683e+02 3.418130020e+01 6.612492280e+01 1.107257088e+02 3.660706804e+01 6.668967268e+01 1.68 1.157383814e+02 5.628244425e+01 9.799514753e+01 1.157511695e+02 1.157603709e+02 3.127484735e+01 6.103293909e+01 1.031402973e+02 3.332918828e+01 6.162029756e+01 1.70 1.079764564e+02 5.170574229e+01 9.115540874e+01 1.079879398e+02 1.079973298e+02 2.856528849e+01 5.628452354e+01 9.604456553e+01 3.028014553e+01 5.689349724e+01 1.72 1.007094104e+02 4.743244498e+01 8.475317072e+01 1.007189548e+02 1.007281418e+02 2.603693010e+01 5.185392512e+01 8.940266955e+01 2.744259405e+01 5.248329742e+01 1.74 9.390132283e+01 4.344167601e+01 7.875766132e+01 9.390854934e+01 9.391708435e+01 2.367563449e+01 4.771750428e+01 8.318180113e+01 2.480070304e+01 4.836597253e+01 1.76 8.751921908e+01 3.971420767e+01 7.314053829e+01 8.752402540e+01 8.753147762e+01 2.146863471e+01 4.385348304e+01 7.735190643e+01 2.234002341e+01 4.451983003e+01 1.78 8.153286641e+01 3.623224732e+01 6.787557921e+01 8.153537009e+01 8.154136523e+01 1.940434147e+01 4.024182253e+01 7.188544343e+01 2.004733035e+01 4.092504856e+01 1.80 7.591459493e+01 3.297924074e+01 6.293859500e+01 7.591503010e+01 7.591927026e+01 1.747220236e+01 3.686420976e+01 6.675710129e+01 1.791049831e+01 3.756351632e+01 1.82 7.063901537e+01 2.993974917e+01 5.830732990e+01 7.063771164e+01 7.064001580e+01 1.566578200e+01 3.370393486e+01 6.194363492e+01 1.591839740e+01 3.441862399e+01 1.84 6.568275552e+01 2.709944889e+01 5.396127299e+01 6.568015707e+01 6.568050181e+01 1.400137256e+01 3.074575590e+01 5.742371486e+01 1.406388535e+01 3.147507302e+01 1.86 6.102435610e+01 2.444511589e+01 4.988148128e+01 6.102098761e+01 6.101952366e+01 1.247255865e+01 2.797576444e+01 5.317778710e+01 1.236415779e+01 2.871883654e+01 1.88 5.664414565e+01 2.196454982e+01 4.605046345e+01 5.664052998e+01 5.663757438e+01 1.106783246e+01 2.538124542e+01 4.918789829e+01 1.081282878e+01 2.613709407e+01 1.90 5.252403768e+01 1.964647747e+01 4.245211267e+01 5.252061936e+01 5.251662934e+01 9.776812064e+00 2.295054383e+01 4.543749396e+01 9.397536187e+00 2.371808413e+01 1.92 4.864732154e+01 1.748045395e+01 3.907159744e+01 4.864446189e+01 4.863998798e+01 8.590142526e+00 2.067298073e+01 4.191125331e+01 8.106997144e+00 2.145094724e+01 1.94 4.499854173e+01 1.545676069e+01 3.589524579e+01 4.499651795e+01 4.499213295e+01 7.499394651e+00 1.853877752e+01 3.859499818e+01 6.930930642e+00 1.932565417e+01 1.96 4.156345510e+01 1.356629801e+01 3.291042846e+01 4.156240697e+01 4.155861826e+01 6.496967208e+00 1.653894370e+01 3.547561624e+01 5.859978452e+00 1.733300881e+01 1.98 3.832890441e+01 1.181541941e+01 3.010543797e+01 3.832883171e+01 3.832603812e+01 5.575989962e+00 1.466519591e+01 3.254094334e+01 4.885574711e+00 1.546456402e+01 2.00 3.528267375e+01 1.021352189e+01 2.746936072e+01 3.528349265e+01 3.528198500e+01 4.730225409e+00 1.291625652e+01 2.977968336e+01 3.999849015e+00 1.371500300e+01 2.02 3.241334266e+01 8.749390512e+00 2.499194258e+01 3.241497300e+01 3.241495003e+01 3.953968825e+00 1.130811315e+01 2.718131226e+01 3.195555549e+00 1.210020318e+01 2.04 2.971022836e+01 7.412562485e+00 2.266352797e+01 2.971266723e+01 2.971425266e+01 3.241986162e+00 9.833010105e+00 2.473605313e+01 2.466011064e+00 1.061612289e+01 2.06 2.716345411e+01 6.193408461e+00 2.047511025e+01 2.716677121e+01 2.717001204e+01 2.589508205e+00 8.481331226e+00 2.243488873e+01 1.805061641e+00 9.253175761e+00 2.08 2.476389112e+01 5.083065454e+00 1.841829723e+01 2.476819144e+01 2.477305456e+01 1.992182252e+00 7.244126477e+00 2.026949261e+01 1.207046163e+00 8.002559084e+00 2.10 2.250307108e+01 4.073362762e+00 1.648524970e+01 2.250843896e+01 2.251481223e+01 1.446009825e+00 6.113043938e+00 1.823214912e+01 6.667516375e-01 6.856106071e+00 2.12 2.037313126e+01 3.156746207e+00 1.466861839e+01 2.037958367e+01 2.038728270e+01 9.472827815e-01 5.080280494e+00 1.631569289e+01 1.793908468e-01 5.806209954e+00 2.14 1.836676049e+01 2.326200195e+00 1.296229102e+01 1.837424235e+01 1.838302400e+01 4.925176034e-01 4.138543203e+00 1.451344647e+01 -2.594178915e-01 4.845758939e+00 2.16 1.647715205e+01 1.575187365e+00 1.137960298e+01 1.648554110e+01 1.649511952e+01 7.842812073e-02 3.281042610e+00 1.282061641e+01 -6.536834280e-01 3.968094983e+00 2.18 1.469797192e+01 8.976230468e-01 9.920646072e+00 1.470707759e+01 1.471713401e+01 -2.980280099e-01 2.501468571e+00 1.125182768e+01 -1.007075612e+00 3.167013589e+00 2.20 1.302382290e+01 2.878240180e-01 8.576843755e+00 1.303338187e+01 1.304357039e+01 -6.396490480e-01 1.793952559e+00 9.805785999e+00 -1.322959959e+00 2.436744065e+00 2.22 1.146735748e+01 -2.595506702e-01 7.340284150e+00 1.147702405e+01 1.148697148e+01 -9.490078284e-01 1.153031306e+00 8.474355157e+00 -1.604433816e+00 1.771923127e+00 2.24 1.003029907e+01 -7.495259396e-01 6.203665109e+00 1.003968191e+01 1.004903407e+01 -1.228469554e+00 5.736184667e-01 7.249885899e+00 -1.854363674e+00 1.167570947e+00 2.26 8.704960081e+00 -1.186825304e+00 5.160238588e+00 8.713634194e+00 8.722059823e+00 -1.480208840e+00 5.098773736e-02 6.125158436e+00 -2.075410773e+00 6.190688797e-01 2.28 7.484052634e+00 -1.575854310e+00 4.203753779e+00 7.491614846e+00 7.498828093e+00 -1.706226234e+00 -4.192498932e-01 5.093357792e+00 -2.270045341e+00 1.221382097e-01 2.30 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