# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--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 2025-07-01 r Co Ni Al Co Al Ni Al Al Ni Ti Ti Ti Ni Ni Co Co Al Ti Co Ti 0.02 4.464094526e+05 2.104884047e+05 2.180827884e+05 1.028569743e+05 3.652778975e+05 2.884615542e+05 4.625496184e+05 4.307647848e+05 1.722123500e+05 3.525099374e+05 0.04 1.866047369e+05 8.906738692e+04 9.220780145e+04 4.404323886e+04 1.531880096e+05 1.214530128e+05 1.932169159e+05 1.801540201e+05 7.309942128e+04 1.479248772e+05 0.06 1.062123964e+05 5.121241374e+04 5.298016927e+04 2.557638659e+04 8.742242821e+04 6.953711609e+04 1.099092861e+05 1.025777570e+05 4.213522179e+04 8.446195056e+04 0.08 6.892808366e+04 3.353491041e+04 3.466878384e+04 1.689505097e+04 5.686396531e+04 4.535912431e+04 7.128700362e+04 6.658772418e+04 2.764804772e+04 5.496308723e+04 0.10 4.818478721e+04 2.363912937e+04 2.442189689e+04 1.200593383e+04 3.983409524e+04 3.185766978e+04 4.980649141e+04 4.655889028e+04 1.952457630e+04 3.851856765e+04 0.12 3.534716468e+04 1.747967377e+04 1.804615340e+04 8.945878737e+03 2.927833503e+04 2.347326603e+04 3.651686779e+04 3.416034521e+04 1.446061261e+04 2.832266743e+04 0.14 2.682404375e+04 1.336749307e+04 1.379109037e+04 6.892063098e+03 2.225969448e+04 1.788826957e+04 2.769648580e+04 2.592682463e+04 1.107500500e+04 2.154138575e+04 0.16 2.087688128e+04 1.048206692e+04 1.080651161e+04 5.443360735e+03 1.735498942e+04 1.397832781e+04 2.154394395e+04 2.018045438e+04 8.696121105e+03 1.680120435e+04 0.18 1.657100492e+04 8.381021336e+03 8.634114665e+03 4.382862100e+03 1.379850602e+04 1.113794087e+04 1.709090950e+04 1.601905541e+04 6.961549033e+03 1.336302606e+04 0.20 1.336346692e+04 6.806781496e+03 7.007084540e+03 3.583957463e+03 1.114516140e+04 9.014880334e+03 1.377494657e+04 1.291849560e+04 5.660124144e+03 1.079718871e+04 0.22 1.091945882e+04 5.600180265e+03 5.760562845e+03 2.968243226e+03 9.120335242e+03 7.391666645e+03 1.124926696e+04 1.055553522e+04 4.661279205e+03 8.838558331e+03 0.24 9.022558206e+03 4.658113074e+03 4.787770173e+03 2.484831568e+03 7.546403622e+03 6.127535317e+03 9.289730124e+03 8.721207087e+03 3.880387292e+03 7.315627912e+03 0.26 7.527449262e+03 3.911189269e+03 4.016851212e+03 2.099405431e+03 6.304020537e+03 5.127832630e+03 7.745857637e+03 7.275183863e+03 3.260459042e+03 6.113147348e+03 0.28 6.333470346e+03 3.311212635e+03 3.397904636e+03 1.788076731e+03 5.310448800e+03 4.326880711e+03 6.513427452e+03 6.120245603e+03 2.761885012e+03 5.151207676e+03 0.30 5.369072575e+03 2.823820659e+03 2.895357782e+03 1.533771209e+03 4.506826881e+03 3.677906455e+03 5.518372911e+03 5.187278485e+03 2.356403049e+03 4.372950235e+03 0.32 4.582286114e+03 2.423967353e+03 2.483287225e+03 1.324008349e+03 3.850357160e+03 3.146862158e+03 4.706905906e+03 4.426072266e+03 2.023395551e+03 3.737026132e+03 0.34 3.934659589e+03 2.093050780e+03 2.142443184e+03 1.149489063e+03 3.309339525e+03 2.708496530e+03 4.039238277e+03 3.799470122e+03 1.747534670e+03 3.212802193e+03 0.36 3.397290685e+03 1.817030943e+03 1.858299871e+03 1.003170041e+03 2.859918154e+03 2.343780662e+03 3.485469752e+03 3.279536961e+03 1.517239262e+03 2.777220561e+03 0.38 2.948152771e+03 1.585161302e+03 1.619741527e+03 8.796396866e+02 2.483889938e+03 2.038173587e+03 3.022818611e+03 2.844978667e+03 1.323634797e+03 2.412683049e+03 0.40 2.570254079e+03 1.389114403e+03 1.418156735e+03 7.746877049e+02 2.167194884e+03 1.780427128e+03 2.633714943e+03 2.479364944e+03 1.159836272e+03 2.105593743e+03 0.42 2.250345075e+03 1.222366972e+03 1.246801530e+03 6.850021678e+02 1.898855553e+03 1.561745820e+03 2.304461848e+03 2.169881267e+03 1.020443765e+03 1.845335033e+03 0.44 1.977993279e+03 1.079758940e+03 1.100342698e+03 6.079520036e+02 1.670217491e+03 1.375184858e+03 2.024277318e+03 1.906435506e+03 9.011805215e+02 1.623534175e+03 0.46 1.744911807e+03 9.571726385e+02 9.745255662e+02 5.414285120e+02 1.474397569e+03 1.215212474e+03 1.784598984e+03 1.681009461e+03 7.986295301e+02 1.433530540e+03 0.48 1.544465121e+03 8.512960063e+02 8.659288217e+02 4.837281523e+02 1.305877570e+03 1.077387237e+03 1.578572433e+03 1.487181466e+03 7.100389497e+02 1.269983061e+03 0.50 1.371300299e+03 7.594453703e+02 7.717810423e+02 4.334646132e+02 1.160200689e+03 9.581168176e+02 1.400669525e+03 1.319770159e+03 6.331763783e+02 1.128577055e+03 0.52 1.221069440e+03 6.794315754e+02 6.898221273e+02 3.895022137e+02 1.033742829e+03 8.544759843e+02 1.246401126e+03 1.174566260e+03 5.662186743e+02 1.005803235e+03 0.54 1.090218320e+03 6.094576835e+02 6.181974253e+02 3.509048572e+02 9.235382785e+02 7.640677151e+02 1.112098420e+03 1.048128313e+03 5.076676808e+02 8.987892576e+02 0.56 9.758239544e+02 5.480400432e+02 5.553760640e+02 3.168965187e+02 8.271455899e+02 6.849161899e+02 9.947448741e+02 9.376256674e+02 4.562851357e+02 8.051700688e+02 0.58 8.754689408e+02 4.939469885e+02 5.000875337e+02 2.868304506e+02 7.425436992e+02 6.153838086e+02 8.918462822e+02 8.407169887e+02 4.110420666e+02 7.229874834e+02 0.60 7.871433088e+02 4.461507573e+02 4.512719573e+02 2.601649426e+02 6.680506945e+02 5.541062068e+02 8.013292685e+02 7.554553377e+02 3.710790542e+02 6.506116298e+02 0.62 7.091673685e+02 4.037895432e+02 4.080408492e+02 2.364441170e+02 6.022598887e+02 4.999410466e+02 7.214615303e+02 6.802135476e+02 3.356748342e+02 5.866791198e+02 0.64 6.401307311e+02 3.661373756e+02 3.696459765e+02 2.152826279e+02 5.439892345e+02 4.519274389e+02 6.507888093e+02 6.136252285e+02 3.042213488e+02 5.300441121e+02 0.66 5.788436974e+02 3.325800117e+02 3.354544402e+02 1.963533664e+02 4.922409519e+02 4.092535135e+02 5.880846584e+02 5.545377280e+02 2.762037536e+02 4.797392481e+02 0.68 5.242983593e+02 3.025955661e+02 3.049286582e+02 1.793775424e+02 4.461691878e+02 3.712304060e+02 5.323102532e+02 5.019744838e+02 2.511843352e+02 4.349443513e+02 0.70 4.756372953e+02 2.757388611e+02 2.776101969e+02 1.641166418e+02 4.050539603e+02 3.372712732e+02 4.825820552e+02 4.551047195e+02 2.287895030e+02 3.949612059e+02 0.72 4.321281971e+02 2.516286932e+02 2.531066178e+02 1.503658552e+02 3.682800184e+02 3.068742443e+02 4.381456085e+02 4.132188785e+02 2.086991936e+02 3.591930890e+02 0.74 3.931432588e+02 2.299374509e+02 2.310807560e+02 1.379487009e+02 3.353196523e+02 2.796085419e+02 3.983542563e+02 3.757086643e+02 1.906382219e+02 3.271281238e+02 0.76 3.581423263e+02 2.103825975e+02 2.112419257e+02 1.267125967e+02 3.057186266e+02 2.551031114e+02 3.626517455e+02 3.420507208e+02 1.743691778e+02 2.983256563e+02 0.78 3.266590501e+02 1.927196475e+02 1.933386699e+02 1.165251950e+02 2.790846114e+02 2.330372579e+02 3.305579336e+02 3.117932186e+02 1.596865637e+02 2.724050473e+02 0.80 2.982894857e+02 1.767363659e+02 1.771527734e+02 1.072713459e+02 2.550776483e+02 2.131329237e+02 3.016570225e+02 2.845448109e+02 1.464119472e+02 2.490364361e+02 0.82 2.726826423e+02 1.622479452e+02 1.624942858e+02 9.885056327e+01 2.334022424e+02 1.951482745e+02 2.755878072e+02 2.599654759e+02 1.343899272e+02 2.279330772e+02 0.84 2.495326254e+02 1.490929835e+02 1.491973725e+02 9.117490474e+01 2.138007809e+02 1.788723584e+02 2.520355677e+02 2.377589026e+02 1.234847673e+02 2.088449624e+02 0.86 2.285720862e+02 1.371301236e+02 1.371168468e+02 8.416719497e+01 1.960480445e+02 1.641206468e+02 2.307253122e+02 2.176661424e+02 1.135775801e+02 1.915535003e+02 0.88 2.095667255e+02 1.262352252e+02 1.261252544e+02 7.775952643e+01 1.799457273e+02 1.507312871e+02 2.114161066e+02 1.994602818e+02 1.045639560e+02 1.758670487e+02 0.90 1.923106741e+02 1.162989841e+02 1.161104179e+02 7.189199341e+01 1.646103016e+02 1.385619503e+02 1.938963116e+02 1.829419650e+02 9.635196631e+01 1.616171579e+02 0.92 1.766225993e+02 1.072249203e+02 1.069733620e+02 6.651161969e+01 1.496321360e+02 1.274871700e+02 1.779795659e+02 1.679356193e+02 8.886047323e+01 1.486554012e+02 0.94 1.623424008e+02 9.892766786e+01 9.862647896e+01 6.157144492e+01 1.352953710e+02 1.173960823e+02 1.635013798e+02 1.542862523e+02 8.201769411e+01 1.368506854e+02 0.96 1.493284084e+02 9.131962793e+01 9.085129354e+01 5.702974665e+01 1.217812777e+02 1.081905070e+02 1.503162461e+02 1.418567349e+02 7.575998009e+01 1.260869676e+02 0.98 1.374549936e+02 8.394105481e+01 8.339077018e+01 5.284937478e+01 1.091946144e+02 9.978331149e+01 1.382951769e+02 1.305254858e+02 7.003077311e+01 1.162612728e+02 1.00 1.266105241e+02 7.670331947e+01 7.631752314e+01 4.899717985e+01 9.758399510e+01 9.209700753e+01 1.273235956e+02 1.201844886e+02 6.477971135e+01 1.072034842e+02 1.02 1.166953321e+02 6.973959940e+01 6.967681590e+01 4.544348575e+01 8.695754559e+01 8.506255078e+01 1.173005197e+02 1.107375949e+02 5.996186232e+01 9.824040479e+01 1.04 1.073910159e+02 6.313497578e+01 6.348784730e+01 4.214432177e+01 7.729489875e+01 7.861830583e+01 1.077361664e+02 1.020990627e+02 5.553706153e+01 8.943925230e+01 1.06 9.806021295e+01 5.693967943e+01 5.775172129e+01 3.900878823e+01 6.855631650e+01 7.270921473e+01 9.831336410e+01 9.419191397e+01 5.146934118e+01 8.098139068e+01 1.08 8.891759321e+01 5.117845818e+01 5.245735096e+01 3.603924386e+01 6.068957102e+01 6.717358651e+01 8.922861377e+01 8.676007574e+01 4.772643629e+01 7.298387096e+01 1.10 8.015216226e+01 4.585774150e+01 4.758579600e+01 3.324241282e+01 5.363508838e+01 6.181393866e+01 8.060995436e+01 7.919843430e+01 4.427935522e+01 6.551581701e+01 1.12 7.188374358e+01 4.097108220e+01 4.311340797e+01 3.061909557e+01 4.732973852e+01 5.669265543e+01 7.253360600e+01 7.169599543e+01 4.110200621e+01 5.861113238e+01 1.14 6.418118788e+01 3.650326448e+01 3.901407861e+01 2.816598262e+01 4.170958261e+01 5.185395366e+01 6.503800286e+01 6.443719796e+01 3.817087198e+01 5.227829340e+01 1.16 5.707634407e+01 3.243338161e+01 3.526081631e+01 2.587702102e+01 3.671181822e+01 4.732276397e+01 5.813450000e+01 5.754402073e+01 3.546472464e+01 4.650785898e+01 1.18 5.057470281e+01 2.873711536e+01 3.182682194e+01 2.374443156e+01 3.227611134e+01 4.310966619e+01 5.181548113e+01 5.109162412e+01 3.296437625e+01 4.127817945e+01 1.20 4.466346347e+01 2.538840441e+01 2.868619668e+01 2.175945705e+01 2.834546487e+01 3.921475565e+01 4.606046209e+01 4.512051241e+01 3.065245990e+01 3.655970385e+01 1.22 3.931759965e+01 2.236064466e+01 2.581438108e+01 1.991290344e+01 2.486673768e+01 3.563065470e+01 4.084064469e+01 3.964594423e+01 2.851323663e+01 3.231819347e+01 1.24 3.450437230e+01 1.962753355e+01 2.318840180e+01 1.819552240e+01 2.179090660e+01 3.234483984e+01 3.612227528e+01 3.466516464e+01 2.653242559e+01 2.851708498e+01 1.26 3.018665241e+01 1.716364600e+01 2.078698242e+01 1.659827400e+01 1.907314012e+01 2.934142767e+01 3.186909139e+01 3.016293481e+01 2.469705382e+01 2.511919908e+01 1.28 2.632532807e+01 1.494480888e+01 1.859056081e+01 1.511249898e+01 1.667273761e+01 2.660252995e+01 2.804407123e+01 2.611572213e+01 2.299535578e+01 2.208794523e+01 1.30 2.288101451e+01 1.294832697e+01 1.658124503e+01 1.373002410e+01 1.455297725e+01 2.410926865e+01 2.461065639e+01 2.249484372e+01 2.145400731e+01 1.938814343e+01 1.32 1.981523682e+01 1.115309972e+01 1.474272978e+01 1.244321852e+01 1.268090207e+01 2.184252410e+01 2.153357851e+01 1.926879839e+01 2.024126167e+01 1.698655621e+01 1.34 1.709121611e+01 9.539659820e+00 1.306019069e+01 1.124501486e+01 1.102706917e+01 1.978347368e+01 1.877939094e+01 1.640496738e+01 1.929415933e+01 1.485220442e+01 1.36 1.467436182e+01 8.090157168e+00 1.152016793e+01 1.012890588e+01 9.565280202e+00 1.791396844e+01 1.631678381e+01 1.387083089e+01 1.853185316e+01 1.295652438e+01 1.38 1.253254726e+01 6.788305106e+00 1.011044687e+01 9.088924449e+00 8.272304379e+00 1.621678423e+01 1.411674119e+01 1.163481340e+01 1.789160349e+01 1.127340922e+01 1.40 1.063622938e+01 5.619302733e+00 8.819941632e+00 8.119613012e+00 7.127605164e+00 1.467577733e+01 1.215258633e+01 9.666847648e+00 1.732566981e+01 9.779169643e+00 1.42 8.958458283e+00 4.569742783e+00 7.638584644e+00 7.215987031e+00 6.113076202e+00 1.327596817e+01 1.039994922e+01 7.938727558e+00 1.679859250e+01 8.452439339e+00 1.44 7.474810166e+00 3.627511813e+00 6.557224119e+00 6.373495446e+00 5.212790490e+00 1.200357115e+01 8.836681217e+00 6.424303735e+00 1.628486107e+01 7.274044231e+00 1.46 6.163270842e+00 2.781688403e+00 5.567530678e+00 5.587980703e+00 4.412766449e+00 1.084598591e+01 7.442737121e+00 5.099564951e+00 1.576693255e+01 6.226851123e+00 1.48 5.004088021e+00 2.022442363e+00 4.661913075e+00 4.855639758e+00 3.700751476e+00 9.791760900e+00 6.200037530e+00 3.942637351e+00 1.523355645e+01 5.295605649e+00 1.50 3.979606513e+00 1.340937461e+00 3.833442904e+00 4.172987147e+00 3.066023731e+00 8.830538037e+00 5.092321829e+00 2.933726320e+00 1.467837127e+01 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