# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Kim-Y-M-Lee-B-J--Ti-N # implementation = 2008--Kim-Y-M--Ti-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 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 1.384115951e+02 nan nan nan nan 0.76 nan nan nan nan nan 1.158929559e+02 nan nan nan nan 0.78 nan nan nan nan nan 9.692887663e+01 nan nan 1.152045587e+02 nan 0.80 nan nan nan nan nan 8.099931866e+01 nan nan 9.914984444e+01 nan 0.82 nan nan nan nan nan 6.765550742e+01 nan nan 8.572251219e+01 nan 0.84 nan nan nan nan nan 5.651073296e+01 nan nan 7.450257357e+01 nan 0.86 nan 1.557158705e+02 nan nan nan 4.723226030e+01 8.986007640e+01 nan 6.513405182e+01 9.982561898e+01 0.88 nan 1.417398673e+02 nan nan nan 3.953422680e+01 7.832861657e+01 nan 5.731562070e+01 8.686533262e+01 0.90 nan 1.298286046e+02 nan nan nan 3.317141647e+01 6.867530547e+01 nan 5.079256194e+01 7.597680535e+01 0.92 nan 1.196348941e+02 1.127166962e+02 nan nan 2.793381183e+01 6.060463568e+01 nan 4.534986307e+01 6.684164947e+01 0.94 nan 1.108684395e+02 1.013601787e+02 nan nan 2.364183408e+01 5.386462244e+01 1.837806630e+02 4.080630063e+01 5.918729926e+01 0.96 1.827203022e+02 1.032869237e+02 9.172355044e+01 1.827203022e+02 1.827203022e+02 2.014219121e+01 4.824073977e+01 1.688824237e+02 3.700937331e+01 5.278077509e+01 0.98 1.682421786e+02 9.668843761e+01 8.353897388e+01 1.682421786e+02 1.682421786e+02 1.730426184e+01 4.355065941e+01 1.560201003e+02 3.383096738e+01 4.742325165e+01 1.00 1.557067934e+02 9.090505876e+01 7.657798516e+01 1.557067934e+02 1.557067934e+02 1.501695059e+01 3.963969247e+01 1.448770105e+02 3.116365233e+01 4.294533370e+01 1.02 1.448170591e+02 8.579740761e+01 7.064601649e+01 1.448170591e+02 1.448170591e+02 1.318595713e+01 3.637684574e+01 1.351841727e+02 2.891751812e+01 3.920295286e+01 1.04 1.353198603e+02 8.125004199e+01 6.557764464e+01 1.353198603e+02 1.353198603e+02 1.173140793e+01 3.365141408e+01 1.267134719e+02 2.701747746e+01 3.607380857e+01 1.06 1.269998667e+02 7.716756141e+01 6.123247443e+01 1.269998667e+02 1.269998667e+02 1.058580505e+01 3.137003962e+01 1.192717625e+02 2.540096694e+01 3.345428511e+01 1.08 1.196741778e+02 7.347131816e+01 5.749157652e+01 1.196741778e+02 1.196741778e+02 9.692251796e+00 2.945417700e+01 1.126957844e+02 2.401598987e+01 3.125678420e+01 1.10 1.131876933e+02 7.009664251e+01 5.425440860e+01 1.131876933e+02 1.131876933e+02 9.002919775e+00 2.783791080e+01 1.068477857e+02 2.281945166e+01 2.940741986e+01 1.12 1.074091154e+02 6.699050450e+01 5.143615724e+01 1.074091154e+02 1.074091154e+02 8.477725880e+00 2.646607868e+01 1.016117585e+02 2.177574537e+01 2.784402860e+01 1.14 1.022274997e+02 6.410954674e+01 4.896544537e+01 1.022274997e+02 1.022274997e+02 8.083191871e+00 2.529265890e+01 9.689020355e+01 2.085555102e+01 2.651445364e+01 1.16 9.754928298e+01 6.141843045e+01 4.678235725e+01 9.754928298e+01 9.754928298e+01 7.791462368e+00 2.427938661e+01 9.260135436e+01 2.003481746e+01 2.537506710e+01 1.18 9.329572412e+01 5.888844772e+01 4.483673864e+01 9.329572412e+01 9.329572412e+01 7.579460201e+00 2.339456776e+01 8.867679657e+01 1.929389994e+01 2.438949838e+01 1.20 8.940070334e+01 5.649635827e+01 4.308673535e+01 8.940070334e+01 8.940070334e+01 7.428160693e+00 2.261206338e+01 8.505942900e+01 1.861683040e+01 2.352754120e+01 1.22 8.580883105e+01 5.422341616e+01 4.149753811e+01 8.580883105e+01 8.580883105e+01 7.321968841e+00 2.191042085e+01 8.170171901e+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 7.856421136e+01 1.740514301e+01 2.207896114e+01 1.26 7.935711651e+01 4.997772000e+01 3.869124215e+01 7.935711651e+01 7.935711651e+01 7.196549839e+00 2.068299893e+01 7.561425529e+01 1.685188969e+01 2.145495140e+01 1.28 7.642666229e+01 4.798328466e+01 3.743080669e+01 7.642666229e+01 7.642666229e+01 7.158849303e+00 2.013159622e+01 7.282491897e+01 1.632440588e+01 2.087850008e+01 1.30 7.365592062e+01 4.606360256e+01 3.624303846e+01 7.365592062e+01 7.365592062e+01 7.128584980e+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 6.764356520e+01 1.532745784e+01 1.982628714e+01 1.34 6.850982427e+01 4.242551007e+01 3.403618483e+01 6.850982427e+01 6.850982427e+01 7.071274174e+00 1.862191278e+01 6.521863128e+01 1.485103754e+01 1.933468477e+01 1.36 6.610168057e+01 4.069850648e+01 3.299830042e+01 6.610168057e+01 6.610168057e+01 7.037444015e+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 6.063970767e+01 1.393094266e+01 1.839286924e+01 1.40 6.155448294e+01 3.741336895e+01 3.102023626e+01 6.155448294e+01 6.155448294e+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 5.235301267e+01 1.219109140e+01 1.658962274e+01 1.48 5.332104754e+01 3.146562378e+01 2.734688764e+01 5.332104754e+01 5.332104754e+01 6.664039472e+00 1.541873708e+01 5.043428469e+01 1.177443003e+01 1.614641725e+01 1.50 5.141287568e+01 3.010075177e+01 2.647471506e+01 5.141287568e+01 5.141287568e+01 6.569805868e+00 1.497414662e+01 4.857063798e+01 1.136499320e+01 1.570511034e+01 1.52 4.955849189e+01 2.878273177e+01 2.561889581e+01 4.955849189e+01 4.955849189e+01 6.467076572e+00 1.453216658e+01 4.676008567e+01 1.096292611e+01 1.526568895e+01 1.54 4.775583800e+01 2.751070544e+01 2.477900904e+01 4.775583800e+01 4.775583800e+01 6.356454286e+00 1.409315032e+01 4.500104377e+01 1.056842996e+01 1.482834365e+01 1.56 4.600327442e+01 2.628383877e+01 2.395486658e+01 4.600327441e+01 4.600327442e+01 6.238618391e+00 1.365755361e+01 4.329223687e+01 1.018173817e+01 1.439341486e+01 1.58 4.429948607e+01 2.510130301e+01 2.314645250e+01 4.429948607e+01 4.429948607e+01 6.114296655e+00 1.322589818e+01 4.163262112e+01 9.803097772e+00 1.396134864e+01 1.60 4.264340504e+01 2.396226095e+01 2.235387363e+01 4.264340504e+01 4.264340504e+01 5.984242356e+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 9.070944738e+00 1.310790800e+01 1.64 3.947096118e+01 2.181121521e+01 2.081702974e+01 3.947096118e+01 3.947096118e+01 5.709970626e+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 1.863639848e+01 3.505149354e+01 3.505149354e+01 5.274124733e+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 5.125047899e+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 9.608294415e+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 2.855160201e+01 1.476360874e+01 1.534968933e+01 2.855160201e+01 2.855160201e+01 4.525316269e+00 8.889920452e+00 2.641882198e+01 6.224676382e+00 9.551508412e+00 1.82 2.737616166e+01 1.404123653e+01 1.474576796e+01 2.737616166e+01 2.737616166e+01 4.376959897e+00 8.544331957e+00 2.529531188e+01 5.955202553e+00 9.194194710e+00 1.84 2.624070226e+01 1.335061963e+01 1.415973621e+01 2.624070226e+01 2.624070226e+01 4.230056963e+00 8.208039856e+00 2.421195119e+01 5.695000285e+00 8.845634421e+00 1.86 2.514450453e+01 1.269069933e+01 1.359154200e+01 2.514450453e+01 2.514450453e+01 4.084946790e+00 7.881163567e+00 2.316791482e+01 5.443968488e+00 8.506015949e+00 1.88 2.408681817e+01 1.206042077e+01 1.304109174e+01 2.408681817e+01 2.408681817e+01 3.941930115e+00 7.563782463e+00 2.216234889e+01 5.201985271e+00 8.175485452e+00 1.90 2.306686361e+01 1.145873620e+01 1.250825247e+01 2.306686361e+01 2.306686361e+01 3.801271056e+00 7.255938519e+00 2.119437361e+01 4.968910126e+00 7.854149034e+00 1.92 2.208383441e+01 1.088460799e+01 1.199285448e+01 2.208383441e+01 2.208383441e+01 3.663199219e+00 6.957639063e+00 2.026308656e+01 4.744586069e+00 7.542075175e+00 1.94 2.113690005e+01 1.033701131e+01 1.149469403e+01 2.113690005e+01 2.113690005e+01 3.527911869e+00 6.668859592e+00 1.936756621e+01 4.528841719e+00 7.239297305e+00 1.96 2.022520895e+01 9.814936645e+00 1.101353631e+01 2.022520895e+01 2.022520895e+01 3.395576137e+00 6.389546577e+00 1.850687540e+01 4.321493290e+00 6.945816450e+00 1.98 1.934789172e+01 9.317391910e+00 1.054911837e+01 1.934789172e+01 1.934789172e+01 3.266331217e+00 6.119620230e+00 1.768006490e+01 4.122346476e+00 6.661603907e+00 2.00 1.850406440e+01 8.843404385e+00 1.010115213e+01 1.850406440e+01 1.850406440e+01 3.140290528e+00 5.858977192e+00 1.688617696e+01 3.931198226e+00 6.386603897e+00 2.02 1.769283176e+01 8.392022349e+00 9.669327275e+00 1.769283176e+01 1.769283176e+01 3.017543828e+00 5.607493124e+00 1.612424859e+01 3.747838400e+00 6.120736164e+00 2.04 1.691329047e+01 7.962316470e+00 9.253314152e+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 8.467323892e+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 8.096614582e+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 4.924167449e+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 4.710340690e+00 2.16 1.285070081e+01 5.790307327e+00 7.069041765e+00 1.285070081e+01 1.285070081e+01 2.254018195e+00 4.089784985e+00 1.160502752e+01 2.663908138e+00 4.504596374e+00 2.18 1.226763411e+01 5.488385777e+00 6.753393448e+00 1.226763411e+01 1.226763411e+01 2.158644889e+00 3.905331553e+00 1.106445107e+01 2.534890955e+00 4.306739305e+00 2.20 1.170907648e+01 5.201609000e+00 6.450521189e+00 1.170907648e+01 1.170907648e+01 2.066613849e+00 3.728336411e+00 1.054739576e+01 2.411666031e+00 4.116568120e+00 2.22 1.117416998e+01 4.929278450e+00 6.160026829e+00 1.117416998e+01 1.117416998e+01 1.977874537e+00 3.558578537e+00 1.005298899e+01 2.294017598e+00 3.933876677e+00 2.24 1.066207142e+01 4.670721622e+00 5.881513532e+00 1.066207142e+01 1.066207142e+01 1.892369836e+00 3.395835517e+00 9.580376801e+00 2.181733561e+00 3.758455315e+00 2.26 1.017195350e+01 4.425291728e+00 5.614587027e+00 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