# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2010--Kim-H-K-Jung-W-S-Lee-B-J--Nb-C # implementation = 2010--Kim-H-K--Nb-C--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 C C C Nb Nb Nb 0.02 8.896287132e+02 9.718959643e+00 1.031338583e+02 0.04 8.240681183e+02 2.298613974e+01 9.794412176e+01 0.06 7.628903702e+02 3.451388004e+01 9.285628569e+01 0.08 7.058142704e+02 4.443693231e+01 8.789190257e+01 0.10 6.525767101e+02 5.288869291e+01 8.306674026e+01 0.12 6.029315002e+02 5.999857462e+01 7.839193750e+01 0.14 5.566482746e+02 6.589029695e+01 7.387494191e+01 0.16 5.135114602e+02 7.068084370e+01 6.952027056e+01 0.18 4.733193126e+02 7.447990023e+01 6.533012576e+01 0.20 4.358830112e+02 7.738963123e+01 6.130489307e+01 0.22 4.010258121e+02 7.950469591e+01 5.744354319e+01 0.24 3.685822561e+02 8.091242476e+01 5.374395584e+01 0.26 3.383974263e+02 8.169310229e+01 5.020318019e+01 0.28 3.103262548e+02 8.192031551e+01 4.681764382e+01 0.30 2.842328756e+02 8.166133926e+01 4.358331981e+01 0.32 2.599900189e+02 8.097753773e+01 4.049586013e+01 0.34 2.374784472e+02 7.992476795e+01 3.755070155e+01 0.36 2.165864290e+02 7.855377547e+01 3.474314955e+01 0.38 1.972092484e+02 7.691057581e+01 3.206844424e+01 0.40 1.792487481e+02 7.503681775e+01 2.952181207e+01 0.42 1.626129048e+02 7.297012617e+01 2.709850587e+01 0.44 1.472154329e+02 7.074442347e+01 2.479383568e+01 0.46 1.329754177e+02 6.839022935e+01 2.260319212e+01 0.48 1.198169730e+02 6.593493940e+01 2.052206381e+01 0.50 1.076689237e+02 6.340308326e+01 1.854605017e+01 0.52 9.646451139e+01 6.081656347e+01 1.667087032e+01 0.54 8.614111978e+01 5.819487598e+01 1.489236912e+01 0.56 7.664002110e+01 5.555531364e+01 1.320652082e+01 0.58 6.790613988e+01 5.291315385e+01 1.160943092e+01 0.60 5.988783377e+01 5.028183154e+01 1.009733656e+01 0.62 5.253669004e+01 4.767309851e+01 8.666605841e+00 0.64 4.580733633e+01 4.509717031e+01 7.313736303e+00 0.66 3.965726468e+01 4.256286157e+01 6.035352741e+00 0.68 3.404666766e+01 4.007771058e+01 4.828204591e+00 0.70 2.893828548e+01 3.764809420e+01 3.689162943e+00 0.72 2.429726309e+01 3.527933358e+01 2.615217337e+00 0.74 2.009101620e+01 3.297579159e+01 1.603472384e+00 0.76 1.628910520e+01 3.074096254e+01 6.511443059e-01 0.78 1.286311586e+01 2.857755473e+01 -2.444425780e-01 0.80 9.786545824e+00 2.648756647e+01 -1.085859371e+00 0.82 7.034695592e+00 2.447235600e+01 -1.875576097e+00 0.84 4.584562905e+00 2.253270587e+01 -2.615965158e+00 0.86 2.414739101e+00 2.066888219e+01 -3.309304731e+00 0.88 5.053060335e-01 1.888068916e+01 -3.957782093e+00 0.90 -1.162268031e+00 1.716751942e+01 -4.563496871e+00 0.92 -2.605235231e+00 1.552840049e+01 -5.128464202e+00 0.94 -3.839679442e+00 1.396203786e+01 -5.654617805e+00 0.96 -4.880633952e+00 1.246685507e+01 -6.143812964e+00 0.98 -5.742207283e+00 1.104103120e+01 -6.597829416e+00 1.00 -6.437718718e+00 9.682536252e+00 -7.018374148e+00 1.02 -6.979844653e+00 8.389164814e+00 -7.407084107e+00 1.04 -7.380776139e+00 7.158568391e+00 -7.765528808e+00 1.06 -7.652386734e+00 5.988286902e+00 -8.095212870e+00 1.08 -7.806408081e+00 4.875779658e+00 -8.397578451e+00 1.10 -7.854608287e+00 3.818456183e+00 -8.674007608e+00 1.12 -7.808965244e+00 2.813707142e+00 -8.925824568e+00 1.14 -7.681823633e+00 1.858935544e+00 -9.154297928e+00 1.16 -7.486020763e+00 9.515882658e-01 -9.360642768e+00 1.18 -7.234963137e+00 8.918775951e-02 -9.546022697e+00 1.20 -6.942633520e+00 -7.306363868e-01 -9.711551819e+00 1.22 -6.623508359e+00 -1.510116583e+00 -9.858296637e+00 1.24 -6.292368650e+00 -2.251317868e+00 -9.987277881e+00 1.26 -5.963994893e+00 -2.956111067e+00 -1.009947227e+01 1.28 -5.652748793e+00 -3.626149702e+00 -1.019581424e+01 1.30 -5.372060366e+00 -4.262852023e+00 -1.027719753e+01 1.32 -5.133857133e+00 -4.867389561e+00 -1.034447682e+01 1.34 -4.947988894e+00 -5.440683502e+00 -1.039846922e+01 1.36 -4.821713077e+00 -5.983409931e+00 -1.043995577e+01 1.38 -4.759308010e+00 -6.496014592e+00 -1.046968280e+01 1.40 -4.761872112e+00 -6.978737229e+00 -1.048836336e+01 1.42 -4.827346122e+00 -7.431644943e+00 -1.049667846e+01 1.44 -4.950766221e+00 -7.854673250e+00 -1.049527840e+01 1.46 -5.124723990e+00 -8.247672884e+00 -1.048478395e+01 1.48 -5.339981212e+00 -8.610459843e+00 -1.046578753e+01 1.50 -5.586169283e+00 -8.942865791e+00 -1.043885432e+01 1.52 -5.852497611e+00 -9.244785900e+00 -1.040452339e+01 1.54 -6.128402571e+00 -9.516221333e+00 -1.036330869e+01 1.56 -6.404085344e+00 -9.757314072e+00 -1.031570008e+01 1.58 -6.670908649e+00 -9.968372407e+00 -1.026216432e+01 1.60 -6.921644038e+00 -1.014988621e+01 -1.020314593e+01 1.62 -7.150579549e+00 -1.030253190e+01 -1.013906817e+01 1.64 -7.353509900e+00 -1.042716773e+01 -1.007033382e+01 1.66 -7.527637733e+00 -1.052482076e+01 -9.997326049e+00 1.68 -7.671415522e+00 -1.059666706e+01 -9.920409183e+00 1.70 -7.784355082e+00 -1.064400723e+01 -9.839929480e+00 1.72 -7.866826761e+00 -1.066823909e+01 -9.756215846e+00 1.74 -7.919864695e+00 -1.067082943e+01 -9.669580537e+00 1.76 -7.944989065e+00 -1.065328633e+01 -9.580319827e+00 1.78 -7.944051517e+00 -1.061713344e+01 -9.488714645e+00 1.80 -7.919106219e+00 -1.056388695e+01 -9.395031191e+00 1.82 -7.872306405e+00 -1.049503596e+01 -9.299521515e+00 1.84 -7.805824486e+00 -1.041202648e+01 -9.202424081e+00 1.86 -7.721792873e+00 -1.031624891e+01 -9.103964297e+00 1.88 -7.622262252e+00 -1.020902903e+01 -9.004355021e+00 1.90 -7.509174011e+00 -1.009162192e+01 -8.903797044e+00 1.92 -7.384343778e+00 -9.965208568e+00 -8.802479549e+00 1.94 -7.249453354e+00 -9.830894590e+00 -8.700580542e+00 1.96 -7.106048788e+00 -9.689710636e+00 -8.598267267e+00 1.98 -6.955542731e+00 -9.542614077e+00 -8.495696589e+00 2.00 -6.799219609e+00 -9.390491582e+00 -8.393015361e+00 2.02 -6.638242536e+00 -9.234162273e+00 -8.290360765e+00 2.04 -6.473661125e+00 -9.074381206e+00 -8.187860631e+00 2.06 -6.306419661e+00 -8.911843002e+00 -8.085633737e+00 2.08 -6.137365228e+00 -8.747185472e+00 -7.983790084e+00 2.10 -5.967255575e+00 -8.580993169e+00 -7.882431150e+00 2.12 -5.796766556e+00 -8.413800783e+00 -7.781650128e+00 2.14 -5.626499105e+00 -8.246096368e+00 -7.681532136e+00 2.16 -5.456985709e+00 -8.078324381e+00 -7.582154410e+00 2.18 -5.288696382e+00 -7.910888526e+00 -7.483586485e+00 2.20 -5.122044180e+00 -7.744154415e+00 -7.385890343e+00 2.22 -4.957390272e+00 -7.578452048e+00 -7.289120558e+00 2.24 -4.795048607e+00 -7.414078122e+00 -7.193324414e+00 2.26 -4.635290204e+00 -7.251298180e+00 -7.098542014e+00 2.28 -4.478347097e+00 -7.090348609e+00 -7.004806373e+00 2.30 -4.324415968e+00 -6.931438493e+00 -6.912143503e+00 2.32 -4.173661476e+00 -6.774751334e+00 -6.820572485e+00 2.34 -4.026219327e+00 -6.620446644e+00 -6.730105538e+00 2.36 -3.882199086e+00 -6.468661421e+00 -6.640748091e+00 2.38 -3.741686764e+00 -6.319511515e+00 -6.552498846e+00 2.40 -3.604747187e+00 -6.173092888e+00 -6.465349862e+00 2.42 -3.471426173e+00 -6.029482785e+00 -6.379286643e+00 2.44 -3.341752519e+00 -5.888740815e+00 -6.294288250e+00 2.46 -3.215739828e+00 -5.750909964e+00 -6.210327438e+00 2.48 -3.093388180e+00 -5.616017529e+00 -6.127370835e+00 2.50 -2.974685648e+00 -5.484076011e+00 -6.045379151e+00 2.52 -2.859609699e+00 -5.355083952e+00 -5.964307455e+00 2.54 -2.748128461e+00 -5.229026743e+00 -5.884105505e+00 2.56 -2.640201879e+00 -5.105877414e+00 -5.804718152e+00 2.58 -2.535782773e+00 -4.985597416e+00 -5.726085825e+00 2.60 -2.434817793e+00 -4.868137413e+00 -5.648145107e+00 2.62 -2.337248293e+00 -4.753438093e+00 -5.570829395e+00 2.64 -2.243011118e+00 -4.641431024e+00 -5.494069675e+00 2.66 -2.152039322e+00 -4.532039554e+00 -5.417795380e+00 2.68 -2.064262815e+00 -4.425179785e+00 -5.341935358e+00 2.70 -1.979608944e+00 -4.320761619e+00 -5.266418918e+00 2.72 -1.898003028e+00 -4.218689895e+00 -5.191176966e+00 2.74 -1.819368823e+00 -4.118865615e+00 -5.116143183e+00 2.76 -1.743628953e+00 -4.021187262e+00 -5.041255256e+00 2.78 -1.670705292e+00 -3.925552206e+00 -4.966456097e+00 2.80 -1.600519301e+00 -3.831858178e+00 -4.891695044e+00 2.82 -1.532992336e+00 -3.740004798e+00 -4.816928990e+00 2.84 -1.468045912e+00 -3.649895123e+00 -4.742123399e+00 2.86 -1.405601951e+00 -3.561437179e+00 -4.667253175e+00 2.88 -1.345582980e+00 -3.474545428e+00 -4.592303338e+00 2.90 -1.287912328e+00 -3.389142122e+00 -4.517269475e+00 2.92 -1.232514279e+00 -3.305158495e+00 -4.442157932e+00 2.94 -1.179314214e+00 -3.222535729e+00 -4.366985742e+00 2.96 -1.128238733e+00 -3.141225650e+00 -4.291780267e+00 2.98 -1.079215757e+00 -3.061191121e+00 -4.216578562e+00 3.00 -1.032174614e+00 -2.982406081e+00 -4.141426489e+00 3.02 -9.870461119e-01 -2.904855248e+00 -4.066377603e+00 3.04 -9.437625994e-01 -2.828533461e+00 -3.991491847e+00 3.06 -9.022580117e-01 -2.753444705e+00 -3.916834123e+00 3.08 -8.624679085e-01 -2.679600849e+00 -3.842472777e+00 3.10 -8.243295015e-01 -2.607020171e+00 -3.768478064e+00 3.12 -7.877816739e-01 -2.535725717e+00 -3.694920656e+00 3.14 -7.527649911e-01 -2.465743605e+00 -3.621870237e+00 3.16 -7.192217060e-01 -2.397101320e+00 -3.549394238e+00 3.18 -6.870957570e-01 -2.329826107e+00 -3.477556740e+00 3.20 -6.563327618e-01 -2.263943514e+00 -3.406417587e+00 3.22 -6.268800058e-01 -2.199476144e+00 -3.336031708e+00 3.24 -5.986864262e-01 -2.136442661e+00 -3.266448653e+00 3.26 -5.717025927e-01 -2.074857066e+00 -3.197712344e+00 3.28 -5.458806856e-01 -2.014728243e+00 -3.129861018e+00 3.30 -5.211744700e-01 -1.956059781e+00 -3.062927332e+00 3.32 -4.975392686e-01 -1.898850020e+00 -2.996938607e+00 3.34 -4.749319322e-01 -1.843092306e+00 -2.931917184e+00 3.36 -4.533108083e-01 -1.788775401e+00 -2.867880844e+00 3.38 -4.326357089e-01 -1.735883994e+00 -2.804843275e+00 3.40 -4.128678767e-01 -1.684399286e+00 -2.742814545e+00 3.42 -3.939699502e-01 -1.634299591e+00 -2.681801575e+00 3.44 -3.759059292e-01 -1.585560922e+00 -2.621808579e+00 3.46 -3.586411385e-01 -1.538157536e+00 -2.562837460e+00 3.48 -3.421421924e-01 -1.492062418e+00 -2.504888165e+00 3.50 -3.263769580e-01 -1.447247700e+00 -2.447958988e+00 3.52 -3.113145198e-01 -1.403685000e+00 -2.392046824e+00 3.54 -2.969251427e-01 -1.361345692e+00 -2.337147373e+00 3.56 -2.831802371e-01 -1.320201118e+00 -2.283255314e+00 3.58 -2.700523229e-01 -1.280222743e+00 -2.230364442e+00 3.60 -2.575149940e-01 -1.241382267e+00 -2.178467773e+00 3.62 -2.455428844e-01 -1.203651703e+00 -2.127557635e+00 3.64 -2.341116334e-01 -1.167003433e+00 -2.077625745e+00 3.66 -2.231978522e-01 -1.131410246e+00 -2.028663263e+00 3.68 -2.127790907e-01 -1.096845364e+00 -1.980660855e+00 3.70 -2.028338056e-01 -1.063282455e+00 -1.933608731e+00 3.72 -1.933413282e-01 -1.030695652e+00 -1.887496694e+00 3.74 -1.842818339e-01 -9.990595558e-01 -1.842314177e+00 3.76 -1.756363118e-01 -9.683492427e-01 -1.798050277e+00 3.78 -1.673865349e-01 -9.385402702e-01 -1.754693795e+00 3.80 -1.595150322e-01 -9.096086780e-01 -1.712233262e+00 3.82 -1.520050598e-01 -8.815309902e-01 -1.670656971e+00 3.84 -1.448405745e-01 -8.542842160e-01 -1.629953008e+00 3.86 -1.380062070e-01 -8.278458486e-01 -1.590109275e+00 3.88 -1.314872364e-01 -8.021938649e-01 -1.551113517e+00 3.90 -1.252695653e-01 -7.773067226e-01 -1.512953346e+00 3.92 -1.193396958e-01 -7.531633583e-01 -1.475616262e+00 3.94 -1.136847060e-01 -7.297431833e-01 -1.439089677e+00 3.96 -1.082922277e-01 -7.070260806e-01 -1.403360929e+00 3.98 -1.031504241e-01 -6.849923999e-01 -1.368417308e+00 4.00 -9.824796913e-02 -6.636229530e-01 -1.334246066e+00 4.02 -9.357402686e-02 -6.428990084e-01 -1.300834438e+00 4.04 -8.911823167e-02 -6.228022857e-01 -1.268169657e+00 4.06 -8.487066938e-02 -6.033149498e-01 -1.236238965e+00 4.08 -8.082185878e-02 -5.844196044e-01 -1.205029631e+00 4.10 -7.696273401e-02 -5.660992857e-01 -1.174528958e+00 4.12 -7.328462740e-02 -5.483374556e-01 -1.144724300e+00 4.14 -6.977925308e-02 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