# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Miraz-A-S-M-Dhariwal-N-Meng-W-J-et-al--Cu-N-Ti # implementation = 2020--Miraz-A-S-M--Cu-N-Ti--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 nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 1.005169097e+02 nan nan nan nan 0.80 nan nan nan nan nan 8.292399598e+01 nan nan nan nan 0.82 nan nan nan nan nan 6.855462603e+01 nan nan 8.639685109e+01 nan 0.84 nan nan nan nan nan 5.685717880e+01 nan nan 7.476240795e+01 nan 0.86 nan nan nan nan nan 4.733095621e+01 nan nan 6.520807368e+01 nan 0.88 nan nan nan nan nan 3.955018563e+01 nan nan 5.732758980e+01 nan 0.90 nan 1.298288115e+02 nan nan nan 3.317196809e+01 nan nan 5.079297564e+01 7.597763279e+01 0.92 nan 1.196348943e+02 nan nan nan 2.793381214e+01 6.060463592e+01 nan 4.534986330e+01 6.684164995e+01 0.94 nan 1.108684397e+02 nan nan nan 2.364183416e+01 5.386462246e+01 nan 4.080630070e+01 5.918729938e+01 0.96 nan 1.032869237e+02 nan nan nan 2.014219107e+01 4.824073965e+01 nan 3.700937321e+01 5.278077488e+01 0.98 nan 9.668843767e+01 8.353897401e+01 nan nan 1.730426191e+01 4.355065952e+01 nan 3.383096744e+01 4.742325174e+01 1.00 nan 9.090505870e+01 7.657798525e+01 nan 1.557067935e+02 1.501695064e+01 3.963969253e+01 1.448770104e+02 3.116365235e+01 4.294533377e+01 1.02 1.448170589e+02 8.579740758e+01 7.064601639e+01 1.448170589e+02 1.448170589e+02 1.318595709e+01 3.637684567e+01 1.351841726e+02 2.891751808e+01 3.920295280e+01 1.04 1.353198606e+02 8.125004198e+01 6.557764483e+01 1.353198606e+02 1.353198606e+02 1.173140803e+01 3.365141413e+01 1.267134720e+02 2.701747752e+01 3.607380871e+01 1.06 1.269998667e+02 7.716756138e+01 6.123247444e+01 1.269998667e+02 1.269998667e+02 1.058580505e+01 3.137003960e+01 1.192717624e+02 2.540096694e+01 3.345428511e+01 1.08 1.196741778e+02 7.347131814e+01 5.749157649e+01 1.196741778e+02 1.196741778e+02 9.692251782e+00 2.945417699e+01 1.126957842e+02 2.401598986e+01 3.125678418e+01 1.10 1.131876935e+02 7.009664250e+01 5.425440871e+01 1.131876935e+02 1.131876935e+02 9.002919828e+00 2.783791087e+01 1.068477858e+02 2.281945170e+01 2.940741994e+01 1.12 1.074091153e+02 6.699050449e+01 5.143615719e+01 1.074091153e+02 1.074091153e+02 8.477725855e+00 2.646607867e+01 1.016117585e+02 2.177574535e+01 2.784402856e+01 1.14 1.022274997e+02 6.410954673e+01 4.896544536e+01 1.022274997e+02 1.022274997e+02 8.083191864e+00 2.529265889e+01 9.689020350e+01 2.085555101e+01 2.651445363e+01 1.16 9.754928301e+01 6.141843045e+01 4.678235727e+01 9.754928301e+01 9.754928301e+01 7.791462378e+00 2.427938661e+01 9.260135434e+01 2.003481747e+01 2.537506712e+01 1.18 9.329572402e+01 5.888844771e+01 4.483673858e+01 9.329572402e+01 9.329572402e+01 7.579460170e+00 2.339456773e+01 8.867679656e+01 1.929389992e+01 2.438949833e+01 1.20 8.940070333e+01 5.649635827e+01 4.308673534e+01 8.940070333e+01 8.940070333e+01 7.428160688e+00 2.261206337e+01 8.505942902e+01 1.861683040e+01 2.352754119e+01 1.22 8.580883102e+01 5.422341616e+01 4.149753809e+01 8.580883102e+01 8.580883102e+01 7.321968831e+00 2.191042084e+01 8.170171899e+01 1.799070085e+01 2.276421519e+01 1.24 8.247382454e+01 5.205455696e+01 4.004030567e+01 8.247382454e+01 8.247382454e+01 7.248185394e+00 2.127213180e+01 7.856421134e+01 1.740514299e+01 2.207896111e+01 1.26 7.935711650e+01 4.997772000e+01 3.869124215e+01 7.935711650e+01 7.935711650e+01 7.196549838e+00 2.068299893e+01 7.561425530e+01 1.685188969e+01 2.145495140e+01 1.28 7.642666226e+01 4.798328466e+01 3.743080667e+01 7.642666226e+01 7.642666226e+01 7.158849293e+00 2.013159621e+01 7.282491897e+01 1.632440588e+01 2.087850007e+01 1.30 7.365592060e+01 4.606360256e+01 3.624303845e+01 7.365592060e+01 7.365592060e+01 7.128584973e+00 1.960881005e+01 7.017406517e+01 1.581757876e+01 2.033855892e+01 1.32 7.102298184e+01 4.421261034e+01 3.511497986e+01 7.102298184e+01 7.102298184e+01 7.100687407e+00 1.910744896e+01 6.764356519e+01 1.532745784e+01 1.982628714e+01 1.34 6.850982426e+01 4.242551007e+01 3.403618483e+01 6.850982426e+01 6.850982426e+01 7.071274170e+00 1.862191278e+01 6.521863128e+01 1.485103754e+01 1.933468477e+01 1.36 6.610168057e+01 4.069850649e+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 3.902859159e+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 6.948812327e+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 1.304597468e+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 6.749286063e+00 1.586573196e+01 5.235301267e+01 1.219109140e+01 1.658962274e+01 1.48 5.332104754e+01 3.146562379e+01 2.734688764e+01 5.332104754e+01 5.332104754e+01 6.664039471e+00 1.541873708e+01 5.043428469e+01 1.177443003e+01 1.614641725e+01 1.50 5.141287567e+01 3.010075177e+01 2.647471506e+01 5.141287567e+01 5.141287567e+01 6.569805868e+00 1.497414662e+01 4.857063798e+01 1.136499320e+01 1.570511034e+01 1.52 4.955849190e+01 2.878273177e+01 2.561889581e+01 4.955849190e+01 4.955849190e+01 6.467076573e+00 1.453216658e+01 4.676008567e+01 1.096292611e+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 1.056842996e+01 1.482834365e+01 1.56 4.600327442e+01 2.628383877e+01 2.395486658e+01 4.600327442e+01 4.600327442e+01 6.238618392e+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 6.114296656e+00 1.322589818e+01 4.163262112e+01 9.803097773e+00 1.396134864e+01 1.60 4.264340504e+01 2.396226095e+01 2.235387362e+01 4.264340504e+01 4.264340504e+01 5.984242356e+00 1.279874252e+01 4.002132171e+01 9.432755056e+00 1.353266084e+01 1.62 4.103414728e+01 2.286585774e+01 2.157731944e+01 4.103414728e+01 4.103414728e+01 5.849215960e+00 1.237665865e+01 3.845758246e+01 9.070944740e+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 3.694072570e+01 8.717881992e+00 1.268766423e+01 1.66 3.795318633e+01 2.079742886e+01 2.007326898e+01 3.795318633e+01 3.795318633e+01 5.567240952e+00 1.154995712e+01 3.547012063e+01 8.373756820e+00 1.227250286e+01 1.68 3.648022045e+01 1.982356702e+01 1.934630601e+01 3.648022045e+01 3.648022045e+01 5.421734360e+00 1.114640787e+01 3.404515874e+01 8.038730303e+00 1.186298226e+01 1.70 3.505149354e+01 1.888867161e+01 1.863639848e+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 1.799176001e+01 1.794378114e+01 3.366644782e+01 3.366644782e+01 5.125047901e+00 1.036132145e+01 3.132973439e+01 7.396460682e+00 1.106295991e+01 1.74 3.232452248e+01 1.713182781e+01 1.726865706e+01 3.232452248e+01 3.232452248e+01 4.975098594e+00 9.980620523e+00 3.003802110e+01 7.089380678e+00 1.067341633e+01 1.76 3.102514244e+01 1.630785215e+01 1.661119174e+01 3.102514244e+01 3.102514244e+01 4.824828683e+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 4.674746387e+00 9.244643445e+00 2.758327530e+01 6.503499878e+00 9.917343008e+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 4.376959896e+00 8.544331955e+00 2.529531188e+01 5.955202552e+00 9.194194708e+00 1.84 2.624070226e+01 1.335061963e+01 1.415973621e+01 2.624070226e+01 2.624070226e+01 4.230056963e+00 8.208039857e+00 2.421195119e+01 5.695000286e+00 8.845634422e+00 1.86 2.514450453e+01 1.269069933e+01 1.359154200e+01 2.514450453e+01 2.514450453e+01 4.084946790e+00 7.881163566e+00 2.316791483e+01 5.443968488e+00 8.506015949e+00 1.88 2.408681816e+01 1.206042077e+01 1.304109174e+01 2.408681816e+01 2.408681816e+01 3.941930114e+00 7.563782463e+00 2.216234889e+01 5.201985271e+00 8.175485451e+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 3.663199218e+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 3.527911869e+00 6.668859592e+00 1.936756622e+01 4.528841719e+00 7.239297305e+00 1.96 2.022520895e+01 9.814936646e+00 1.101353631e+01 2.022520895e+01 2.022520895e+01 3.395576138e+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 3.266331216e+00 6.119620229e+00 1.768006490e+01 4.122346476e+00 6.661603906e+00 2.00 1.850406440e+01 8.843404386e+00 1.010115213e+01 1.850406440e+01 1.850406440e+01 3.140290528e+00 5.858977192e+00 1.688617696e+01 3.931198227e+00 6.386603898e+00 2.02 1.769283176e+01 8.392022349e+00 9.669327276e+00 1.769283176e+01 1.769283176e+01 3.017543828e+00 5.607493124e+00 1.612424859e+01 3.747838401e+00 6.120736164e+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 7.553380969e+00 8.852766463e+00 1.616453221e+01 1.616453221e+01 2.782185234e+00 5.131414341e+00 1.469241174e+01 3.403617102e+00 5.615969110e+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 5.146264165e+00 2.12 1.409385789e+01 6.442510516e+00 7.740257431e+00 1.409385789e+01 1.409385789e+01 2.454954385e+00 4.481937057e+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 7.069041766e+00 1.285070081e+01 1.285070081e+01 2.254018195e+00 4.089784986e+00 1.160502752e+01 2.663908138e+00 4.504596374e+00 2.18 1.226763411e+01 5.488385777e+00 6.753393449e+00 1.226763411e+01 1.226763411e+01 2.158644890e+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 2.411666030e+00 4.116568120e+00 2.22 1.117416998e+01 4.929278450e+00 6.160026829e+00 1.117416998e+01 1.117416998e+01 1.977874538e+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 1.017195350e+01 1.017195350e+01 1.810037018e+00 3.239884543e+00 9.128724789e+00 2.074605922e+00 3.590092007e+00 2.28 9.703005961e+00 4.192367290e+00 5.358856710e+00 9.703005961e+00 9.703005961e+00 1.730808632e+00 3.090503310e+00 8.697218909e+00 1.972431141e+00 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