# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Co # implementation = 2015--Purja-Pun-G-P--Ni-Co--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Co Co Co Ni Ni Ni 0.02 2.575359305e+04 1.929723526e+04 1.436061774e+03 0.04 2.524333308e+04 1.893052018e+04 1.347793958e+03 0.06 2.471069694e+04 1.853924285e+04 1.263382978e+03 0.08 2.415740586e+04 1.812545369e+04 1.182747972e+03 0.10 2.358518111e+04 1.769116278e+04 1.105801190e+03 0.12 2.299574392e+04 1.723833267e+04 1.032446476e+03 0.14 2.239081555e+04 1.676888286e+04 9.625802797e+02 0.16 2.177211724e+04 1.628470008e+04 8.960971776e+02 0.18 2.114137024e+04 1.578764930e+04 8.328985226e+02 0.20 2.050029581e+04 1.527958228e+04 7.728888551e+02 0.22 1.985061519e+04 1.476234440e+04 7.159703723e+02 0.24 1.919404964e+04 1.423778055e+04 6.620427626e+02 0.26 1.853232039e+04 1.370773849e+04 6.110035437e+02 0.28 1.786714870e+04 1.317406591e+04 5.627467134e+02 0.30 1.720025582e+04 1.263860417e+04 5.171646213e+02 0.32 1.653336300e+04 1.210318351e+04 4.741545910e+02 0.34 1.586819147e+04 1.156962270e+04 4.336260820e+02 0.36 1.520646249e+04 1.103973513e+04 3.954959403e+02 0.38 1.454989731e+04 1.051533422e+04 3.596849469e+02 0.40 1.390021716e+04 9.998234955e+03 3.261177994e+02 0.42 1.325928055e+04 9.491000920e+03 2.947242291e+02 0.44 1.262949496e+04 8.999185066e+03 2.654385625e+02 0.46 1.201340515e+04 8.529088343e+03 2.381935303e+02 0.48 1.141355585e+04 8.087012678e+03 2.129171222e+02 0.50 1.083249178e+04 7.679260671e+03 1.895326351e+02 0.52 1.027184577e+04 7.300358935e+03 1.679606756e+02 0.54 9.731152365e+03 6.936612490e+03 1.481223974e+02 0.56 9.210043005e+03 6.587485499e+03 1.299428364e+02 0.58 8.708152153e+03 6.252505898e+03 1.133510224e+02 0.60 8.225114269e+03 5.931194281e+03 9.827575210e+01 0.62 7.760563814e+03 5.623121255e+03 8.464457571e+01 0.64 7.314135246e+03 5.327879200e+03 7.238400065e+01 0.66 6.885463025e+03 5.045048475e+03 6.141977870e+01 0.68 6.474181610e+03 4.774205940e+03 5.167722876e+01 0.70 6.079925463e+03 4.514984782e+03 4.308155569e+01 0.72 5.702329041e+03 4.267021183e+03 3.555813243e+01 0.74 5.341026805e+03 4.029950672e+03 2.903272136e+01 0.76 4.995653215e+03 3.803414976e+03 2.343162238e+01 0.78 4.665842730e+03 3.587063713e+03 1.868174668e+01 0.80 4.351229807e+03 3.380554731e+03 1.471062532e+01 0.82 4.051448909e+03 3.183554077e+03 1.144636856e+01 0.84 3.766134494e+03 2.995735845e+03 8.817594423e+00 0.86 3.494921022e+03 2.816781984e+03 6.753343267e+00 0.88 3.237442952e+03 2.646382108e+03 5.182990272e+00 0.90 2.993334744e+03 2.484233299e+03 4.036165743e+00 0.92 2.762230857e+03 2.330039923e+03 3.242687350e+00 0.94 2.543765752e+03 2.183513456e+03 2.732504993e+00 0.96 2.337573887e+03 2.044372320e+03 2.435657500e+00 0.98 2.143289722e+03 1.912341730e+03 2.282240046e+00 1.00 1.960547716e+03 1.787153546e+03 2.202381365e+00 1.02 1.788982329e+03 1.668546158e+03 2.134874067e+00 1.04 1.628228023e+03 1.556264474e+03 2.064614936e+00 1.06 1.477919256e+03 1.450059691e+03 1.991750259e+00 1.08 1.337690487e+03 1.349689169e+03 1.916434557e+00 1.10 1.207176176e+03 1.254916342e+03 1.838822392e+00 1.12 1.086010783e+03 1.165510585e+03 1.759068368e+00 1.14 9.738287615e+02 1.081247154e+03 1.677327127e+00 1.16 8.702645831e+02 1.001907102e+03 1.593753364e+00 1.18 7.749527016e+02 9.272771831e+02 1.508501813e+00 1.20 6.875275768e+02 8.571497867e+02 1.421727256e+00 1.22 6.076236685e+02 7.913228884e+02 1.333584520e+00 1.24 5.348754366e+02 7.295999558e+02 1.244228484e+00 1.26 4.689173415e+02 6.717899046e+02 1.153814075e+00 1.28 4.093838388e+02 6.177070542e+02 1.062496271e+00 1.30 3.559093959e+02 5.671710518e+02 9.704301029e-01 1.32 3.081284689e+02 5.200068374e+02 8.777706529e-01 1.34 2.656755179e+02 4.760446058e+02 7.846730611e-01 1.36 2.281850031e+02 4.351197471e+02 6.912925251e-01 1.38 1.952913841e+02 3.970728170e+02 5.977843003e-01 1.40 1.666291215e+02 3.617495044e+02 5.043036999e-01 1.42 1.418326736e+02 3.290005857e+02 4.110061034e-01 1.44 1.205365036e+02 2.986818988e+02 3.180469523e-01 1.46 1.023750697e+02 2.706543171e+02 2.255817553e-01 1.48 8.698283255e+01 2.447837121e+02 1.337660864e-01 1.50 7.399425207e+01 2.209409324e+02 4.275559724e-02 1.52 6.304547161e+01 1.990017831e+02 -4.729437559e-02 1.54 5.380017324e+01 1.788469959e+02 -1.362326431e-01 1.56 4.597733934e+01 1.603622113e+02 -2.239145738e-01 1.58 3.934500368e+01 1.434379606e+02 -3.102019844e-01 1.60 3.371122228e+01 1.279696411e+02 -3.949632089e-01 1.62 2.891679290e+01 1.138575017e+02 -4.780732031e-01 1.64 2.482936509e+01 1.010066298e+02 -5.594135966e-01 1.66 2.133866398e+01 8.932692999e+01 -6.388727619e-01 1.68 1.835260693e+01 7.873311336e+01 -7.163458701e-01 1.70 1.579413852e+01 6.914468587e+01 -7.917349354e-01 1.72 1.359864407e+01 6.048593191e+01 -8.649488426e-01 1.74 1.171183118e+01 5.268590517e+01 -9.359033720e-01 1.76 1.008799073e+01 4.567841873e+01 -1.004521230e+00 1.78 8.688565825e+00 3.940203251e+01 -1.070732049e+00 1.80 7.480971540e+00 3.380004537e+01 -1.134472381e+00 1.82 6.437619512e+00 2.882037490e+01 -1.195685683e+00 1.84 5.535110129e+00 2.441431566e+01 -1.254322274e+00 1.86 4.753561892e+00 2.053530052e+01 -1.310339291e+00 1.88 4.076053771e+00 1.713878202e+01 -1.363700636e+00 1.90 3.488160538e+00 1.418222446e+01 -1.414376897e+00 1.92 2.977564744e+00 1.162509842e+01 -1.462345260e+00 1.94 2.533732156e+00 9.428875325e+00 -1.507589418e+00 1.96 2.147639727e+00 7.557021051e+00 -1.550099456e+00 1.98 1.811547209e+00 5.974991497e+00 -1.589871726e+00 2.00 1.518805110e+00 4.650228036e+00 -1.626908705e+00 2.02 1.263692751e+00 3.552152486e+00 -1.661218861e+00 2.04 1.041281732e+00 2.652163400e+00 -1.692816472e+00 2.06 8.473204279e-01 1.923632317e+00 -1.721721469e+00 2.08 6.781362081e-01 1.341899839e+00 -1.747959236e+00 2.10 5.305524907e-01 8.842725066e-01 -1.771560429e+00 2.12 4.018182964e-01 5.300197045e-01 -1.792560754e+00 2.14 2.895483187e-01 2.603705920e-01 -1.811000768e+00 2.16 1.916718340e-01 5.851149093e-02 -1.826925638e+00 2.18 1.063891427e-01 -9.041665023e-02 -1.840384913e+00 2.20 3.213432893e-02 -1.993206821e-01 -1.851432283e+00 2.22 -3.245660309e-02 -2.791574207e-01 -1.860125327e+00 2.24 -8.857303350e-02 -3.389357126e-01 -1.866525255e+00 2.26 -1.372531530e-01 -3.857183844e-01 -1.870696649e+00 2.28 -1.794040919e-01 -4.246240222e-01 -1.872707195e+00 2.30 -2.158192416e-01 -4.588286465e-01 -1.872627409e+00 2.32 -2.471931668e-01 -4.896472865e-01 -1.870530368e+00 2.34 -2.741344724e-01 -5.174153845e-01 -1.866491429e+00 2.36 -2.971769127e-01 -5.423701030e-01 -1.860587955e+00 2.38 -3.167889965e-01 -5.647315932e-01 -1.852899030e+00 2.40 -3.333822991e-01 -5.847041644e-01 -1.843505189e+00 2.42 -3.473186673e-01 -6.024773779e-01 -1.832488137e+00 2.44 -3.589164703e-01 -6.182270795e-01 -1.819930476e+00 2.46 -3.684560257e-01 -6.321163466e-01 -1.805915431e+00 2.48 -3.761843190e-01 -6.442963761e-01 -1.790526593e+00 2.50 -3.823191109e-01 -6.549073175e-01 -1.773847647e+00 2.52 -3.870525156e-01 -6.640790403e-01 -1.755962123e+00 2.54 -3.905541202e-01 -6.719318539e-01 -1.736953144e+00 2.56 -3.929737106e-01 -6.785771795e-01 -1.716903192e+00 2.58 -3.944436513e-01 -6.841181723e-01 -1.695893868e+00 2.60 -3.950809673e-01 -6.886503036e-01 -1.674005672e+00 2.62 -3.949891669e-01 -6.922619034e-01 -1.651317793e+00 2.64 -3.942598389e-01 -6.950346641e-01 -1.627907903e+00 2.66 -3.929740539e-01 -6.970441098e-01 -1.603851968e+00 2.68 -3.912035938e-01 -6.983600349e-01 -1.579224067e+00 2.70 -3.890120317e-01 -6.990469103e-01 -1.554096233e+00 2.72 -3.864556819e-01 -6.991642636e-01 -1.528538284e+00 2.74 -3.835844366e-01 -6.987670320e-01 -1.502617696e+00 2.76 -3.804425008e-01 -6.979058903e-01 -1.476399468e+00 2.78 -3.770690425e-01 -6.966275578e-01 -1.449946008e+00 2.80 -3.734987634e-01 -6.949750812e-01 -1.423317034e+00 2.82 -3.697624062e-01 -6.929881003e-01 -1.396569489e+00 2.84 -3.658871985e-01 -6.907030945e-01 -1.369757475e+00 2.86 -3.618972487e-01 -6.881536105e-01 -1.342932174e+00 2.88 -3.578138943e-01 -6.853704764e-01 -1.316141814e+00 2.90 -3.536560112e-01 -6.823819997e-01 -1.289431645e+00 2.92 -3.494402866e-01 -6.792141507e-01 -1.262843924e+00 2.94 -3.451814618e-01 -6.758907344e-01 -1.236417892e+00 2.96 -3.408925471e-01 -6.724335488e-01 -1.210189775e+00 2.98 -3.365850124e-01 -6.688625334e-01 -1.184192833e+00 3.00 -3.322689569e-01 -6.651959060e-01 -1.158457396e+00 3.02 -3.279532586e-01 -6.614502916e-01 -1.133010867e+00 3.04 -3.236457095e-01 -6.576408383e-01 -1.107877780e+00 3.06 -3.193531330e-01 -6.537813296e-01 -1.083079904e+00 3.08 -3.150814904e-01 -6.498842874e-01 -1.058636325e+00 3.10 -3.108359753e-01 -6.459610629e-01 -1.034563430e+00 3.12 -3.066210971e-01 -6.420219274e-01 -1.010875084e+00 3.14 -3.024407552e-01 -6.380761568e-01 -9.875827473e-01 3.16 -2.982983066e-01 -6.341320994e-01 -9.646954760e-01 3.18 -2.941966243e-01 -6.301972541e-01 -9.422201588e-01 3.20 -2.901381512e-01 -6.262783336e-01 -9.201615443e-01 3.22 -2.861249461e-01 -6.223813193e-01 -8.985223002e-01 3.24 -2.821587276e-01 -6.185115284e-01 -8.773033866e-01 3.26 -2.782409099e-01 -6.146736524e-01 -8.565038533e-01 3.28 -2.743726375e-01 -6.108718174e-01 -8.361212909e-01 3.30 -2.705548150e-01 -6.071096203e-01 -8.161516660e-01 3.32 -2.667881341e-01 -6.033901728e-01 -7.965896035e-01 3.34 -2.630730970e-01 -5.997161438e-01 -7.774285812e-01 3.36 -2.594100383e-01 -5.960897831e-01 -7.586608286e-01 3.38 -2.557991447e-01 -5.925129725e-01 -7.402778929e-01 3.40 -2.522404707e-01 -5.889872326e-01 -7.222701446e-01 3.42 -2.487339551e-01 -5.855137756e-01 -7.046274840e-01 3.44 -2.452794341e-01 -5.820935093e-01 -6.873390069e-01 3.46 -2.418766542e-01 -5.787270734e-01 -6.703933876e-01 3.48 -2.385252820e-01 -5.754148664e-01 -6.537791838e-01 3.50 -2.352249151e-01 -5.721570319e-01 -6.374840824e-01 3.52 -2.319750904e-01 -5.689535508e-01 -6.214968479e-01 3.54 -2.287752919e-01 -5.658041461e-01 -6.058045068e-01 3.56 -2.256249575e-01 -5.627084250e-01 -5.903955477e-01 3.58 -2.225234855e-01 -5.596658064e-01 -5.752581138e-01 3.60 -2.194702401e-01 -5.566755207e-01 -5.603795276e-01 3.62 -2.164645561e-01 -5.537367605e-01 -5.457497290e-01 3.64 -2.135057439e-01 -5.508484848e-01 -5.313566271e-01 3.66 -2.105930932e-01 -5.480095561e-01 -5.171892044e-01 3.68 -2.077258758e-01 -5.452188512e-01 -5.032397639e-01 3.70 -2.049033499e-01 -5.424749668e-01 -4.894973990e-01 3.72 -2.021247619e-01 -5.397764573e-01 -4.759512831e-01 3.74 -1.993893496e-01 -5.371219931e-01 -4.625953064e-01 3.76 -1.966963437e-01 -5.345101225e-01 -4.494231147e-01 3.78 -1.940449702e-01 -5.319388971e-01 -4.364213650e-01 3.80 -1.914344524e-01 -5.294065909e-01 -4.235865728e-01 3.82 -1.888640114e-01 -5.269115678e-01 -4.109187191e-01 3.84 -1.863328684e-01 -5.244518604e-01 -3.984140345e-01 3.86 -1.838402455e-01 -5.220247032e-01 -3.860522225e-01 3.88 -1.813853665e-01 -5.196290268e-01 -3.738364606e-01 3.90 -1.789674584e-01 -5.172638131e-01 -3.617742485e-01 3.92 -1.765857517e-01 -5.149279153e-01 -3.498744297e-01 3.94 -1.742394813e-01 -5.126215399e-01 -3.381596960e-01 3.96 -1.719278871e-01 -5.103431540e-01 -3.266298686e-01 3.98 -1.696502143e-01 -5.080855553e-01 -3.152312601e-01 4.00 -1.674057142e-01 -5.058427434e-01 -3.039258791e-01 4.02 -1.651936444e-01 -5.036099061e-01 -2.926905846e-01 4.04 -1.630132689e-01 -5.013832102e-01 -2.815144568e-01 4.06 -1.608638590e-01 -4.991592539e-01 -2.703977220e-01 4.08 -1.587446933e-01 -4.969370991e-01 -2.593765501e-01 4.10 -1.566550575e-01 -4.947210187e-01 -2.485110353e-01 4.12 -1.545942452e-01 -4.925141575e-01 -2.378518415e-01 4.14 -1.525615578e-01 -4.903182628e-01 -2.274402402e-01 4.16 -1.505563044e-01 -4.881339033e-01 -2.173093914e-01 4.18 -1.485778022e-01 -4.859606646e-01 -2.074854754e-01 4.20 -1.466253766e-01 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