# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Lee-B-J-Lee-T-H-Kim-S-J--Fe-N # implementation = 2006--Lee-B-J--Fe-N--LAMMPS--ipr1 # composition = N # 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 3.892170092e+02 nan nan nan nan 0.64 nan nan nan nan nan 3.289525590e+02 nan nan nan nan 0.66 nan nan nan nan nan 2.775521124e+02 nan nan 3.014369943e+02 nan 0.68 nan nan nan nan nan 2.337934914e+02 nan nan 2.555977210e+02 nan 0.70 nan nan nan nan nan 1.966130897e+02 nan nan 2.169981211e+02 nan 0.72 nan 3.582626139e+02 nan nan nan 1.650865414e+02 nan nan 1.845341353e+02 2.887504567e+02 0.74 nan 3.126043736e+02 nan nan nan 1.384115955e+02 2.225168647e+02 nan 1.572631962e+02 2.467325604e+02 0.76 nan 2.741859092e+02 nan nan nan 1.158929562e+02 1.900508314e+02 nan 1.343815380e+02 2.110469323e+02 0.78 nan 2.418426595e+02 2.745304276e+02 nan nan 9.692887678e+01 1.626219095e+02 nan 1.152045589e+02 1.807861820e+02 0.80 nan 2.145907249e+02 2.387368587e+02 nan 4.254387608e+02 8.099931873e+01 1.394852338e+02 3.859782035e+02 9.914984456e+01 1.551657145e+02 0.82 3.765095839e+02 1.916000102e+02 2.083066689e+02 3.765095839e+02 3.765095839e+02 6.765550742e+01 1.199999965e+02 3.419430389e+02 8.572251224e+01 1.335080514e+02 0.84 3.346114654e+02 1.721711728e+02 1.824570799e+02 3.346114654e+02 3.346114654e+02 5.651073293e+01 1.036156935e+02 3.043401739e+02 7.450257357e+01 1.152290222e+02 0.86 2.987250366e+02 1.557158705e+02 1.605137197e+02 2.987250366e+02 2.987250366e+02 4.723226027e+01 8.986007641e+01 2.722147994e+02 6.513405179e+01 9.982561893e+01 0.88 2.679725778e+02 1.417398674e+02 1.418963953e+02 2.679725778e+02 2.679725778e+02 3.953422679e+01 7.832861665e+01 2.447481008e+02 5.731562068e+01 8.686533261e+01 0.90 2.415992910e+02 1.298286047e+02 1.261066198e+02 2.415992910e+02 2.415992910e+02 3.317141648e+01 6.867530557e+01 2.212388076e+02 5.079256195e+01 7.597680537e+01 0.92 2.189569079e+02 1.196348942e+02 1.127166963e+02 2.189569079e+02 2.189569079e+02 2.793381186e+01 6.060463571e+01 2.010871101e+02 4.534986311e+01 6.684164952e+01 0.94 1.994893645e+02 1.108684396e+02 1.013601788e+02 1.994893645e+02 1.994893645e+02 2.364183414e+01 5.386462248e+01 1.837806633e+02 4.080630070e+01 5.918729934e+01 0.96 1.827203024e+02 1.032869238e+02 9.172355057e+01 1.827203024e+02 1.827203024e+02 2.014219127e+01 4.824073986e+01 1.688824240e+02 3.700937338e+01 5.278077518e+01 0.98 1.682421788e+02 9.668843771e+01 8.353897403e+01 1.682421788e+02 1.682421788e+02 1.730426192e+01 4.355065951e+01 1.560201006e+02 3.383096744e+01 4.742325175e+01 1.00 1.557067936e+02 9.090505877e+01 7.657798531e+01 1.557067936e+02 1.557067936e+02 1.501695066e+01 3.963969258e+01 1.448770107e+02 3.116365239e+01 4.294533382e+01 1.02 1.448170593e+02 8.579740769e+01 7.064601663e+01 1.448170593e+02 1.448170593e+02 1.318595721e+01 3.637684582e+01 1.351841728e+02 2.891751817e+01 3.920295297e+01 1.04 1.353198605e+02 8.125004203e+01 6.557764478e+01 1.353198605e+02 1.353198605e+02 1.173140800e+01 3.365141413e+01 1.267134719e+02 2.701747751e+01 3.607380867e+01 1.06 1.269998669e+02 7.716756144e+01 6.123247455e+01 1.269998669e+02 1.269998669e+02 1.058580511e+01 3.137003969e+01 1.192717626e+02 2.540096698e+01 3.345428520e+01 1.08 1.196741779e+02 7.347131821e+01 5.749157662e+01 1.196741779e+02 1.196741779e+02 9.692251847e+00 2.945417706e+01 1.126957844e+02 2.401598991e+01 3.125678428e+01 1.10 1.131876934e+02 7.009664252e+01 5.425440868e+01 1.131876934e+02 1.131876934e+02 9.002919816e+00 2.783791086e+01 1.068477858e+02 2.281945169e+01 2.940741992e+01 1.12 1.074091155e+02 6.699050453e+01 5.143615730e+01 1.074091155e+02 1.074091155e+02 8.477725912e+00 2.646607872e+01 1.016117585e+02 2.177574539e+01 2.784402865e+01 1.14 1.022274998e+02 6.410954675e+01 4.896544542e+01 1.022274998e+02 1.022274998e+02 8.083191895e+00 2.529265892e+01 9.689020359e+01 2.085555104e+01 2.651445368e+01 1.16 9.754928303e+01 6.141843046e+01 4.678235729e+01 9.754928303e+01 9.754928303e+01 7.791462384e+00 2.427938663e+01 9.260135440e+01 2.003481747e+01 2.537506713e+01 1.18 9.329572415e+01 5.888844773e+01 4.483673866e+01 9.329572415e+01 9.329572415e+01 7.579460211e+00 2.339456778e+01 8.867679661e+01 1.929389995e+01 2.438949840e+01 1.20 8.940070336e+01 5.649635827e+01 4.308673536e+01 8.940070336e+01 8.940070336e+01 7.428160698e+00 2.261206339e+01 8.505942903e+01 1.861683041e+01 2.352754121e+01 1.22 8.580883106e+01 5.422341617e+01 4.149753811e+01 8.580883106e+01 8.580883106e+01 7.321968842e+00 2.191042086e+01 8.170171902e+01 1.799070086e+01 2.276421521e+01 1.24 8.247382460e+01 5.205455697e+01 4.004030571e+01 8.247382460e+01 8.247382460e+01 7.248185415e+00 2.127213183e+01 7.856421138e+01 1.740514301e+01 2.207896114e+01 1.26 7.935711650e+01 4.997772000e+01 3.869124215e+01 7.935711650e+01 7.935711650e+01 7.196549837e+00 2.068299893e+01 7.561425530e+01 1.685188969e+01 2.145495139e+01 1.28 7.642666228e+01 4.798328466e+01 3.743080669e+01 7.642666228e+01 7.642666228e+01 7.158849302e+00 2.013159622e+01 7.282491898e+01 1.632440588e+01 2.087850008e+01 1.30 7.365592062e+01 4.606360256e+01 3.624303846e+01 7.365592062e+01 7.365592062e+01 7.128584979e+00 1.960881005e+01 7.017406518e+01 1.581757877e+01 2.033855893e+01 1.32 7.102298183e+01 4.421261034e+01 3.511497985e+01 7.102298183e+01 7.102298183e+01 7.100687406e+00 1.910744896e+01 6.764356519e+01 1.532745784e+01 1.982628714e+01 1.34 6.850982427e+01 4.242551007e+01 3.403618484e+01 6.850982427e+01 6.850982427e+01 7.071274174e+00 1.862191279e+01 6.521863128e+01 1.485103754e+01 1.933468477e+01 1.36 6.610168058e+01 4.069850648e+01 3.299830042e+01 6.610168058e+01 6.610168058e+01 7.037444016e+00 1.814791259e+01 6.288725087e+01 1.438607573e+01 1.885828100e+01 1.38 6.378649849e+01 3.902859158e+01 3.199471093e+01 6.378649849e+01 6.378649849e+01 6.997102128e+00 1.768223394e+01 6.063970768e+01 1.393094266e+01 1.839286924e+01 1.40 6.155448295e+01 3.741336895e+01 3.102023626e+01 6.155448295e+01 6.155448295e+01 6.948812328e+00 1.722253736e+01 5.846817729e+01 1.348449552e+01 1.793528277e+01 1.42 5.939770773e+01 3.585091112e+01 3.007087638e+01 5.939770773e+01 5.939770773e+01 6.891672200e+00 1.676719057e+01 5.636638642e+01 1.304597467e+01 1.748320488e+01 1.44 5.730978703e+01 3.433964442e+01 2.914359556e+01 5.730978703e+01 5.730978703e+01 6.825207942e+00 1.631512776e+01 5.432932633e+01 1.261491814e+01 1.703500876e+01 1.46 5.528559805e+01 3.287825669e+01 2.823614051e+01 5.528559805e+01 5.528559805e+01 6.749286062e+00 1.586573196e+01 5.235301266e+01 1.219109140e+01 1.658962274e+01 1.48 5.332104754e+01 3.146562378e+01 2.734688764e+01 5.332104754e+01 5.332104754e+01 6.664039471e+00 1.541873708e+01 5.043428468e+01 1.177443003e+01 1.614641725e+01 1.50 5.141287567e+01 3.010075177e+01 2.647471506e+01 5.141287567e+01 5.141287567e+01 6.569805867e+00 1.497414662e+01 4.857063798e+01 1.136499320e+01 1.570511034e+01 1.52 4.955849189e+01 2.878273177e+01 2.561889580e+01 4.955849189e+01 4.955849189e+01 6.467076571e+00 1.453216658e+01 4.676008567e+01 1.096292610e+01 1.526568895e+01 1.54 4.775583800e+01 2.751070543e+01 2.477900903e+01 4.775583800e+01 4.775583800e+01 6.356454285e+00 1.409315032e+01 4.500104377e+01 1.056842995e+01 1.482834365e+01 1.56 4.600327441e+01 2.628383877e+01 2.395486658e+01 4.600327441e+01 4.600327441e+01 6.238618389e+00 1.365755361e+01 4.329223687e+01 1.018173817e+01 1.439341486e+01 1.58 4.429948606e+01 2.510130301e+01 2.314645250e+01 4.429948606e+01 4.429948606e+01 6.114296654e+00 1.322589818e+01 4.163262112e+01 9.803097771e+00 1.396134864e+01 1.60 4.264340504e+01 2.396226095e+01 2.235387362e+01 4.264340504e+01 4.264340504e+01 5.984242355e+00 1.279874252e+01 4.002132171e+01 9.432755056e+00 1.353266084e+01 1.62 4.103414727e+01 2.286585774e+01 2.157731943e+01 4.103414727e+01 4.103414727e+01 5.849215958e+00 1.237665865e+01 3.845758245e+01 9.070944737e+00 1.310790800e+01 1.64 3.947096118e+01 2.181121521e+01 2.081702974e+01 3.947096118e+01 3.947096118e+01 5.709970625e+00 1.196021393e+01 3.694072569e+01 8.717881991e+00 1.268766422e+01 1.66 3.795318633e+01 2.079742885e+01 2.007326898e+01 3.795318633e+01 3.795318633e+01 5.567240951e+00 1.154995712e+01 3.547012063e+01 8.373756819e+00 1.227250286e+01 1.68 3.648022044e+01 1.982356702e+01 1.934630600e+01 3.648022044e+01 3.648022044e+01 5.421734358e+00 1.114640787e+01 3.404515874e+01 8.038730301e+00 1.186298226e+01 1.70 3.505149354e+01 1.888867161e+01 1.863639849e+01 3.505149354e+01 3.505149354e+01 5.274124734e+00 1.075004903e+01 3.266523508e+01 7.712932352e+00 1.145963501e+01 1.72 3.366644782e+01 1.799176000e+01 1.794378113e+01 3.366644782e+01 3.366644782e+01 5.125047900e+00 1.036132145e+01 3.132973438e+01 7.396460681e+00 1.106295991e+01 1.74 3.232452247e+01 1.713182781e+01 1.726865706e+01 3.232452247e+01 3.232452247e+01 4.975098593e+00 9.980620521e+00 3.003802110e+01 7.089380677e+00 1.067341633e+01 1.76 3.102514245e+01 1.630785215e+01 1.661119174e+01 3.102514245e+01 3.102514245e+01 4.824828684e+00 9.608294416e+00 2.878943266e+01 6.791726028e+00 1.029142044e+01 1.78 2.976771052e+01 1.551879535e+01 1.597150911e+01 2.976771052e+01 2.976771052e+01 4.674746386e+00 9.244643443e+00 2.758327530e+01 6.503499877e+00 9.917343006e+00 1.80 2.855160200e+01 1.476360874e+01 1.534968933e+01 2.855160200e+01 2.855160200e+01 4.525316268e+00 8.889920451e+00 2.641882198e+01 6.224676381e+00 9.551508411e+00 1.82 2.737616166e+01 1.404123653e+01 1.474576796e+01 2.737616166e+01 2.737616166e+01 4.376959896e+00 8.544331956e+00 2.529531188e+01 5.955202552e+00 9.194194709e+00 1.84 2.624070226e+01 1.335061963e+01 1.415973620e+01 2.624070226e+01 2.624070226e+01 4.230056962e+00 8.208039855e+00 2.421195119e+01 5.695000285e+00 8.845634420e+00 1.86 2.514450453e+01 1.269069933e+01 1.359154200e+01 2.514450453e+01 2.514450453e+01 4.084946789e+00 7.881163566e+00 2.316791482e+01 5.443968488e+00 8.506015948e+00 1.88 2.408681816e+01 1.206042077e+01 1.304109174e+01 2.408681816e+01 2.408681816e+01 3.941930114e+00 7.563782462e+00 2.216234889e+01 5.201985271e+00 8.175485451e+00 1.90 2.306686360e+01 1.145873620e+01 1.250825247e+01 2.306686360e+01 2.306686360e+01 3.801271055e+00 7.255938518e+00 2.119437360e+01 4.968910125e+00 7.854149032e+00 1.92 2.208383441e+01 1.088460799e+01 1.199285448e+01 2.208383441e+01 2.208383441e+01 3.663199218e+00 6.957639062e+00 2.026308656e+01 4.744586068e+00 7.542075174e+00 1.94 2.113690005e+01 1.033701131e+01 1.149469403e+01 2.113690005e+01 2.113690005e+01 3.527911868e+00 6.668859591e+00 1.936756621e+01 4.528841718e+00 7.239297303e+00 1.96 2.022520895e+01 9.814936645e+00 1.101353631e+01 2.022520895e+01 2.022520895e+01 3.395576137e+00 6.389546576e+00 1.850687539e+01 4.321493290e+00 6.945816449e+00 1.98 1.934789172e+01 9.317391909e+00 1.054911837e+01 1.934789172e+01 1.934789172e+01 3.266331216e+00 6.119620229e+00 1.768006490e+01 4.122346476e+00 6.661603906e+00 2.00 1.850406440e+01 8.843404385e+00 1.010115212e+01 1.850406440e+01 1.850406440e+01 3.140290528e+00 5.858977191e+00 1.688617696e+01 3.931198226e+00 6.386603897e+00 2.02 1.769283176e+01 8.392022349e+00 9.669327274e+00 1.769283176e+01 1.769283176e+01 3.017543827e+00 5.607493124e+00 1.612424859e+01 3.747838400e+00 6.120736163e+00 2.04 1.691329047e+01 7.962316470e+00 9.253314151e+00 1.691329047e+01 1.691329047e+01 2.898159245e+00 5.365025178e+00 1.539331483e+01 3.572051304e+00 5.863898488e+00 2.06 1.616453221e+01 7.553380968e+00 8.852766461e+00 1.616453221e+01 1.616453221e+01 2.782185234e+00 5.131414340e+00 1.469241174e+01 3.403617101e+00 5.615969108e+00 2.08 1.544564659e+01 7.164334554e+00 8.467323893e+00 1.544564659e+01 1.544564659e+01 2.669652432e+00 4.906487628e+00 1.402057924e+01 3.242313102e+00 5.376809023e+00 2.10 1.475572394e+01 6.794321164e+00 8.096614583e+00 1.475572394e+01 1.475572394e+01 2.560575421e+00 4.690060159e+00 1.337686368e+01 3.087914939e+00 5.146264164e+00 2.12 1.409385789e+01 6.442510516e+00 7.740257430e+00 1.409385789e+01 1.409385789e+01 2.454954384e+00 4.481937056e+00 1.276032026e+01 2.940197628e+00 4.924167450e+00 2.14 1.345914777e+01 6.108098483e+00 7.397864249e+00 1.345914777e+01 1.345914777e+01 2.352776660e+00 4.281915226e+00 1.217001517e+01 2.798936517e+00 4.710340691e+00 2.16 1.285070081e+01 5.790307327e+00 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