# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Etesami-S-A-Asadi-E--Ni # implementation = 2018--Etesami-S-A--Ni--LAMMPS--ipr1 # composition = Ni # 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 1.380931064e+03 nan nan nan nan 0.68 nan nan nan nan nan 1.241563194e+03 nan nan nan nan 0.70 nan nan nan nan nan 1.117609017e+03 nan nan 1.370869369e+03 nan 0.72 nan nan nan nan nan 1.007585973e+03 nan nan 1.233478832e+03 nan 0.74 nan nan nan nan nan 9.099952777e+02 nan nan 1.109959509e+03 nan 0.76 nan nan nan nan nan 8.234057107e+02 nan nan 9.994745576e+02 nan 0.78 nan 1.503752856e+03 nan nan nan 7.464974489e+02 1.407544981e+03 nan 9.009686361e+02 1.282814839e+03 0.80 nan 1.371370460e+03 nan nan nan 6.780808504e+02 1.278424627e+03 nan 8.133045426e+02 1.162574146e+03 0.82 nan 1.252323095e+03 nan nan nan 6.171000614e+02 1.162525066e+03 nan 7.353482221e+02 1.054081450e+03 0.84 nan 1.145006051e+03 1.557862309e+03 nan nan 5.626278502e+02 1.056886395e+03 nan 6.658478851e+02 9.565078971e+02 0.86 1.536332302e+03 1.044940490e+03 1.430355449e+03 1.536377475e+03 1.536422658e+03 5.138557762e+02 9.596983562e+02 1.431934437e+03 6.020953363e+02 8.689332673e+02 0.88 1.412598261e+03 9.509853500e+02 1.314783732e+03 1.412637641e+03 1.412677032e+03 4.700822896e+02 8.709734803e+02 1.315584508e+03 5.436324572e+02 7.904173873e+02 0.90 1.300280869e+03 8.638542851e+02 1.208979633e+03 1.300315473e+03 1.300350087e+03 4.307003167e+02 7.904339443e+02 1.210056343e+03 4.904633516e+02 7.200451099e+02 0.92 1.198198342e+03 7.837279939e+02 1.109318891e+03 1.198229019e+03 1.198259705e+03 3.951852647e+02 7.176249942e+02 1.114221298e+03 4.424046199e+02 6.569530880e+02 0.94 1.105300080e+03 7.078509685e+02 1.016143608e+03 1.105327530e+03 1.105354991e+03 3.630839249e+02 6.519945408e+02 1.027076907e+03 3.991598505e+02 6.003441535e+02 0.96 1.020652316e+03 6.358843347e+02 9.297695803e+02 1.020677117e+03 1.020701928e+03 3.340045083e+02 5.929473956e+02 9.477329712e+02 3.603713508e+02 5.494934563e+02 0.98 9.434249941e+02 5.688351280e+02 8.502205820e+02 9.434476158e+02 9.434702478e+02 3.076078603e+02 5.395567722e+02 8.753988716e+02 3.256554139e+02 5.037492430e+02 1.00 8.728799247e+02 5.072071879e+02 7.773226271e+02 8.729007480e+02 8.729215815e+02 2.835998305e+02 4.905137183e+02 8.091455398e+02 2.946257776e+02 4.625303103e+02 1.02 8.083580006e+02 4.511548621e+02 7.107719205e+02 8.083773326e+02 8.083966747e+02 2.617239855e+02 4.456640621e+02 7.450301272e+02 2.669081394e+02 4.253204333e+02 1.04 7.471692935e+02 4.003328301e+02 6.487851387e+02 7.471873809e+02 7.472054783e+02 2.410558480e+02 4.041347459e+02 6.821652058e+02 2.416241814e+02 3.906126463e+02 1.06 6.852106352e+02 3.540567990e+02 5.885531368e+02 6.852276752e+02 6.852447250e+02 2.202067714e+02 3.645001426e+02 6.203213690e+02 2.175530724e+02 3.562163495e+02 1.08 6.241698731e+02 3.122648257e+02 5.310744798e+02 6.241860227e+02 6.242021820e+02 1.997236019e+02 3.272129875e+02 5.608129521e+02 1.949365615e+02 3.228572798e+02 1.10 5.653780955e+02 2.747925438e+02 4.770790942e+02 5.653934794e+02 5.654088729e+02 1.800379553e+02 2.925763743e+02 5.045462577e+02 1.739439795e+02 2.911012896e+02 1.12 5.097057956e+02 2.413910848e+02 4.269748047e+02 5.097205126e+02 5.097352391e+02 1.614307385e+02 2.607242330e+02 4.520612910e+02 1.546468394e+02 2.613001018e+02 1.14 4.576785649e+02 2.117629305e+02 3.809354368e+02 4.576926931e+02 4.577068307e+02 1.440700831e+02 2.316704070e+02 4.036290110e+02 1.370474025e+02 2.336469494e+02 1.16 4.095670386e+02 1.855875111e+02 3.389682047e+02 4.095806397e+02 4.095942502e+02 1.280408304e+02 2.053457706e+02 3.593261632e+02 1.211002060e+02 2.082195216e+02 1.18 3.654564243e+02 1.625391128e+02 3.009648785e+02 3.654695473e+02 3.654826795e+02 1.133673174e+02 1.816260677e+02 3.190925116e+02 1.067282109e+02 1.850129014e+02 1.20 3.253000170e+02 1.422990547e+02 2.667403830e+02 3.253127017e+02 3.253253954e+02 1.000309122e+02 1.603526213e+02 2.827743353e+02 9.383481844e+01 1.639646742e+02 1.22 2.889600847e+02 1.245636349e+02 2.360616145e+02 2.889723646e+02 2.889846536e+02 8.798340404e+01 1.413475475e+02 2.501571918e+02 8.231267916e+01 1.449739708e+02 1.24 2.562388812e+02 1.090489916e+02 2.086687180e+02 2.562507863e+02 2.562627004e+02 7.715714994e+01 1.244247729e+02 2.209903453e+02 7.205005760e+01 1.279158013e+02 1.26 2.269019241e+02 9.549372849e+01 1.842905432e+02 2.269134819e+02 2.269250486e+02 6.747256855e+01 1.093978347e+02 1.950047355e+02 6.293526561e+01 1.126516939e+02 1.28 2.006952575e+02 8.365996048e+01 1.626556533e+02 2.007064934e+02 2.007177382e+02 5.884361949e+01 9.608526737e+01 1.719259693e+02 5.485963058e+01 9.903747802e+01 1.30 1.773580479e+02 7.333326156e+01 1.434999706e+02 1.773689855e+02 1.773799318e+02 5.118197956e+01 8.431419012e+01 1.514834998e+02 4.771957473e+01 8.692886781e+01 1.32 1.566315857e+02 6.432187961e+01 1.265718718e+02 1.566422466e+02 1.566529161e+02 4.440006480e+01 7.392254095e+01 1.334169033e+02 4.141794303e+01 7.618536442e+01 1.34 1.382655296e+02 5.645548292e+01 1.116353741e+02 1.382759338e+02 1.382863465e+02 3.841312857e+01 6.476031211e+01 1.174799680e+02 3.586473984e+01 6.667287946e+01 1.36 1.220220607e+02 4.958363219e+01 9.847191007e+01 1.220322265e+02 1.220424008e+02 3.314065782e+01 5.669006344e+01 1.034431462e+02 3.097742294e+01 5.826539722e+01 1.38 1.076784574e+02 4.357411713e+01 8.688107560e+01 1.076884018e+02 1.076983546e+02 2.850723985e+01 4.958691906e+01 9.109479529e+01 2.668077308e+01 5.084591969e+01 1.40 9.502850276e+01 3.831125471e+01 7.668064667e+01 9.503824136e+01 9.504798820e+01 2.444303638e+01 4.333812910e+01 8.024155590e+01 2.290661304e+01 4.430688674e+01 1.42 8.388303062e+01 3.369421613e+01 6.770608665e+01 8.389257766e+01 8.390213286e+01 2.088396857e+01 3.784232234e+01 7.070811905e+01 1.959352459e+01 3.855021629e+01 1.44 7.406984975e+01 2.963542626e+01 5.980971609e+01 7.407921834e+01 7.408859498e+01 1.777169569e+01 3.300880298e+01 6.233656290e+01 1.668647557e+01 3.348703324e+01 1.46 6.543320185e+01 2.605906273e+01 5.285966966e+01 6.544240398e+01 6.545161407e+01 1.505344883e+01 2.875680677e+01 5.498538114e+01 1.413638539e+01 2.903704006e+01 1.48 5.783296715e+01 2.289966989e+01 4.673873528e+01 5.784201379e+01 5.785106831e+01 1.268176770e+01 2.501470987e+01 4.852837435e+01 1.189966015e+01 2.512794757e+01 1.50 5.114371774e+01 2.010089393e+01 4.134314319e+01 5.115261892e+01 5.116152788e+01 1.061417651e+01 2.171922657e+01 4.285347985e+01 9.937719512e+00 2.169498277e+01 1.52 4.525366593e+01 1.761433987e+01 3.658135308e+01 4.526243079e+01 4.527120334e+01 8.812825119e+00 1.881462122e+01 3.786157043e+01 8.216530123e+00 1.868035100e+01 1.54 4.006356785e+01 1.539854675e+01 3.237287467e+01 4.007220470e+01 4.008084915e+01 7.244115997e+00 1.625195247e+01 3.346526477e+01 6.706157101e+00 1.603267646e+01 1.56 3.548562176e+01 1.341807484e+01 2.864714211e+01 3.549413816e+01 3.550266206e+01 5.878330138e+00 1.398835990e+01 2.958777764e+01 5.380340075e+00 1.370644091e+01 1.58 3.144239490e+01 1.164269725e+01 2.534245877e+01 3.145079769e+01 3.145920790e+01 4.689263054e+00 1.198640067e+01 2.616182952e+01 4.216096881e+00 1.166143727e+01 1.60 2.786579536e+01 1.004668729e+01 2.240501787e+01 2.787409074e+01 2.788239343e+01 3.653876344e+00 1.021343804e+01 2.312862658e+01 3.193359133e+00 9.862246475e+00 1.62 2.469610557e+01 8.608192934e+00 1.978800456e+01 2.470429911e+01 2.471249988e+01 2.751970313e+00 8.641076249e+00 2.043691871e+01 2.294640422e+00 8.277745842e+00 1.64 2.188108190e+01 7.308689332e+00 1.745077768e+01 2.188917861e+01 2.189728247e+01 1.965876909e+00 7.244568658e+00 1.804213616e+01 1.504735989e+00 6.880651073e+00 1.66 1.937512624e+01 6.132462981e+00 1.535813047e+01 1.938313062e+01 1.939114205e+01 1.280153461e+00 6.002296015e+00 1.590560533e+01 8.103945761e-01 5.647094192e+00 1.68 1.713852859e+01 5.066032170e+00 1.347962555e+01 1.714644465e+01 1.715436765e+01 6.813100541e-01 4.895392880e+00 1.399384069e+01 1.999971386e-01 4.556238255e+00 1.70 1.513677999e+01 4.097755469e+00 1.178900021e+01 1.514461127e+01 1.515244941e+01 1.576242038e-01 3.907421536e+00 1.227790911e+01 -3.366459254e-01 3.589927550e+00 1.72 1.333995272e+01 3.217581866e+00 1.026363665e+01 1.334770236e+01 1.335545878e+01 -3.009274485e-01 3.024079610e+00 1.073286169e+01 -8.084602200e-01 2.732371626e+00 1.74 1.172214368e+01 2.416835302e+00 8.884091379e+00 1.172981445e+01 1.173749188e+01 -7.026457941e-01 2.232938885e+00 9.337228323e+00 -1.223251922e+00 1.969861478e+00 1.76 1.026097735e+01 1.688026804e+00 7.633646859e+00 1.026857163e+01 1.027617248e+01 -1.055245352e+00 1.523212335e+00 8.072569660e+00 -1.587828762e+00 1.290515922e+00 1.78 8.937162735e+00 1.024690948e+00 6.497819937e+00 8.944682584e+00 8.952208923e+00 -1.365355792e+00 8.855472766e-01 6.923081002e+00 -1.908107094e+00 6.840554600e-01 1.80 7.734100739e+00 4.212428951e-01 5.464019827e+00 7.741547918e+00 7.749001495e+00 -1.638547572e+00 3.118442677e-01 5.875243482e+00 -2.189292493e+00 1.416016268e-01 1.82 6.637536379e+00 -1.271921779e-01 4.521309036e+00 6.644912360e+00 6.652294648e+00 -1.879594509e+00 -2.049036496e-01 4.917517391e+00 -2.435909859e+00 -3.445020718e-01 1.84 5.635252328e+00 -6.250005740e-01 3.660194027e+00 5.642558321e+00 5.649870529e+00 -2.092577721e+00 -6.707505259e-01 4.040073383e+00 -2.651890140e+00 -7.808462804e-01 1.86 4.716798879e+00 -1.076173655e+00 2.872440434e+00 4.724035852e+00 4.731278948e+00 -2.280977253e+00 -1.090930225e+00 3.234557212e+00 -2.840651146e+00 -1.173094513e+00 1.88 3.873257026e+00 -1.484348002e+00 2.150910594e+00 3.880425720e+00 3.887600445e+00 -2.447752515e+00 -1.469971252e+00 2.493884351e+00 -3.005162002e+00 -1.526105019e+00 1.90 3.097030655e+00 -1.852842090e+00 1.489420738e+00 3.104131604e+00 3.111238493e+00 -2.595412863e+00 -1.811723877e+00 1.812060833e+00 -3.147999961e+00 -1.844037770e+00 1.92 2.381664781e+00 -2.184692419e+00 8.826157667e-01 2.388698326e+00 2.395737719e+00 -2.726079377e+00 -2.119453880e+00 1.184027279e+00 -3.271400367e+00 -2.130448203e+00 1.94 1.721686748e+00 -2.482681122e+00 3.258595581e-01 1.728653052e+00 1.735625112e+00 -2.841538859e+00 -2.396176334e+00 6.055232496e-01 -3.377300643e+00 -2.388369276e+00 1.96 1.112467626e+00 -2.749353909e+00 -1.848610660e-01 1.119366686e+00 1.126271412e+00 -2.943291297e+00 -2.644499136e+00 7.296221864e-02 -3.467412135e+00 -2.620383237e+00 1.98 5.501014756e-01 -2.987025078e+00 -6.530215563e-01 5.569331364e-01 5.637703719e-01 -3.032766434e+00 -2.866694567e+00 -4.167589929e-01 -3.543408789e+00 -2.828684281e+00 2.00 3.130010708e-02 -3.197762578e+00 -1.081639559e+00 3.806407185e-02 4.483352021e-02 -3.112276441e+00 -3.064761091e+00 -8.664264468e-01 -3.606977554e+00 -3.015133288e+00 2.02 -4.467084062e-01 -3.383503105e+00 -1.473346672e+00 -4.400125657e-01 -4.333113326e-01 -3.185296307e+00 -3.240461585e+00 -1.278560746e+00 -3.659686484e+00 -3.181310537e+00 2.04 -8.863786751e-01 -3.546209886e+00 -1.830516251e+00 -8.797515086e-01 -8.731190405e-01 -3.255496892e+00 -3.395393770e+00 -1.655488195e+00 -3.702596812e+00 -3.328617002e+00 2.06 -1.290019102e+00 -3.687800257e+00 -2.155361501e+00 -1.283461272e+00 -1.276898231e+00 -3.324042067e+00 -3.531051113e+00 -1.999402434e+00 -3.735334048e+00 -3.458361595e+00 2.08 -1.659814496e+00 -3.810151129e+00 -2.449915108e+00 -1.653326770e+00 -1.646833924e+00 -3.384021610e+00 -3.648833994e+00 -2.312376351e+00 -3.756300181e+00 -3.571774043e+00 2.10 -1.997832274e+00 -3.914932006e+00 -2.716027157e+00 -1.991415517e+00 -1.984993730e+00 -3.418852796e+00 -3.750055166e+00 -2.596369731e+00 -3.768634929e+00 -3.670009429e+00 2.12 -2.306028370e+00 -4.003284703e+00 -2.955653522e+00 -2.299683536e+00 -2.293333762e+00 -3.442909637e+00 -3.835944911e+00 -2.853244088e+00 -3.772799318e+00 -3.754152497e+00 2.14 -2.586252854e+00 -4.075150830e+00 -3.170569902e+00 -2.579980981e+00 -2.573704260e+00 -3.460345274e+00 -3.907655902e+00 -3.084771284e+00 -3.769971637e+00 -3.825221696e+00 2.16 -2.840255284e+00 -4.131926070e+00 -3.362426346e+00 -2.834057489e+00 -2.827854937e+00 -3.471673008e+00 -3.966267782e+00 -3.292633965e+00 -3.762087818e+00 -3.884173010e+00 2.18 -3.069692366e+00 -4.176105479e+00 -3.532777833e+00 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