# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Xu-Y-Wang-G-Qian-P-Su-Y--Ni-Rh # implementation = 2022--Xu-Y--Ni-Rh--LAMMPS--ipr1 # composition = Rh # 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 nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 1.052161068e+03 nan 0.86 nan nan nan nan nan nan nan nan 9.671580112e+02 nan 0.88 nan nan nan nan nan nan nan nan 8.897180794e+02 nan 0.90 nan nan nan nan nan 6.891977648e+02 nan nan 8.188743206e+02 nan 0.92 nan nan nan nan nan 6.332127152e+02 nan nan 7.538851754e+02 nan 0.94 nan nan nan nan nan 5.825313689e+02 nan nan 6.941734118e+02 nan 0.96 nan nan nan nan nan 5.366922765e+02 nan nan 6.393011411e+02 nan 0.98 nan nan nan nan nan 4.953440232e+02 nan nan 5.888692596e+02 nan 1.00 nan nan nan nan nan 4.581363744e+02 nan nan 5.425765524e+02 nan 1.02 nan 7.244724490e+02 nan 1.106272322e+03 1.105491320e+03 4.247304801e+02 nan nan 5.002056068e+02 7.316185764e+02 1.04 nan 6.732270718e+02 nan 1.031403179e+03 1.030784015e+03 3.947892987e+02 6.925462792e+02 nan 4.615064275e+02 6.780655616e+02 1.06 nan 6.261631998e+02 nan 9.626416323e+02 9.622592083e+02 3.679590548e+02 6.426228771e+02 nan 4.262210645e+02 6.286273284e+02 1.08 nan 5.827833799e+02 nan 8.993361628e+02 8.992497937e+02 3.438619453e+02 5.961783694e+02 nan 3.940788593e+02 5.829637672e+02 1.10 nan 5.426408287e+02 nan 8.409144381e+02 8.411453376e+02 3.221082327e+02 5.530362488e+02 nan 3.647992532e+02 5.407676380e+02 1.12 nan 5.053835410e+02 nan 7.869300345e+02 7.874126888e+02 3.023202954e+02 5.129897308e+02 nan 3.380974748e+02 5.018364433e+02 1.14 nan 4.706567917e+02 nan 7.369345721e+02 7.375261430e+02 2.841770160e+02 4.758402130e+02 6.843800296e+02 3.137243998e+02 4.659808019e+02 1.16 6.899508878e+02 4.381004700e+02 6.221705947e+02 6.905568275e+02 6.911243310e+02 2.675493281e+02 4.414408413e+02 6.409322327e+02 2.914845321e+02 4.330026124e+02 1.18 6.469392675e+02 4.074838651e+02 5.817726418e+02 6.474517674e+02 6.479047567e+02 2.523508664e+02 4.096487482e+02 6.005155794e+02 2.712061476e+02 4.026866668e+02 1.20 6.069363010e+02 3.786816153e+02 5.440093433e+02 6.072744689e+02 6.075662013e+02 2.384682534e+02 3.803190767e+02 5.627067134e+02 2.527189002e+02 3.748052748e+02 1.22 5.695382021e+02 3.515994744e+02 5.087125806e+02 5.696740033e+02 5.698003956e+02 2.257718276e+02 3.533065121e+02 5.271329937e+02 2.358629518e+02 3.491277268e+02 1.24 5.343274293e+02 3.261876907e+02 4.757018436e+02 5.342916444e+02 5.342875937e+02 2.141231988e+02 3.284582169e+02 4.935112380e+02 2.205106848e+02 3.254252747e+02 1.26 5.009447671e+02 3.023862885e+02 4.447963879e+02 5.008163213e+02 5.007438141e+02 2.033799008e+02 3.056144615e+02 4.617120026e+02 2.065335563e+02 3.034918481e+02 1.28 4.693142865e+02 2.801453966e+02 4.158135783e+02 4.691718960e+02 4.690826388e+02 1.933955465e+02 2.846098484e+02 4.317185118e+02 1.937971740e+02 2.832158623e+02 1.30 4.394300729e+02 2.594115364e+02 3.885694248e+02 4.393280515e+02 4.392538878e+02 1.840234793e+02 2.652757801e+02 4.034969361e+02 1.821655208e+02 2.645149872e+02 1.32 4.112685191e+02 2.401316324e+02 3.628765670e+02 4.112284917e+02 4.111823974e+02 1.751210373e+02 2.474496578e+02 3.769949500e+02 1.715007755e+02 2.473130383e+02 1.34 3.847874925e+02 2.222566418e+02 3.385962645e+02 3.848022386e+02 3.847824124e+02 1.665974049e+02 2.310053561e+02 3.521474725e+02 1.616820371e+02 2.315323259e+02 1.36 3.599308732e+02 2.057346522e+02 3.157056938e+02 3.599789559e+02 3.599794326e+02 1.584730394e+02 2.158555278e+02 3.288831677e+02 1.526445708e+02 2.170834598e+02 1.38 3.366324120e+02 1.905084242e+02 2.941928075e+02 3.366878759e+02 3.367005776e+02 1.507742843e+02 2.019172925e+02 3.071223362e+02 1.443295351e+02 2.038644884e+02 1.40 3.148162822e+02 1.765142525e+02 2.740339707e+02 3.148583698e+02 3.148745415e+02 1.435130817e+02 1.891003001e+02 2.867791219e+02 1.366712300e+02 1.917681057e+02 1.42 2.944022575e+02 1.636864653e+02 2.551925377e+02 2.944195420e+02 2.944321274e+02 1.366861510e+02 1.773062246e+02 2.677662929e+02 1.295987902e+02 1.806876135e+02 1.44 2.753062080e+02 1.519597669e+02 2.376195773e+02 2.752963241e+02 2.753012284e+02 1.302780659e+02 1.664380970e+02 2.499944446e+02 1.230386306e+02 1.705200733e+02 1.46 2.574402161e+02 1.412735023e+02 2.212574265e+02 2.574086744e+02 2.574051591e+02 1.242668180e+02 1.564020610e+02 2.333805336e+02 1.169304862e+02 1.611654933e+02 1.48 2.407166779e+02 1.315720752e+02 2.060461214e+02 2.406732378e+02 2.406628928e+02 1.140572751e+02 1.471045448e+02 2.178537571e+02 1.112594530e+02 1.525229540e+02 1.50 2.250506359e+02 1.228012250e+02 1.919293209e+02 2.250055511e+02 2.249908879e+02 1.026640482e+02 1.384926505e+02 2.033462567e+02 1.033326176e+02 1.444883182e+02 1.52 2.103600577e+02 1.149060527e+02 1.788544690e+02 2.103212361e+02 2.103046497e+02 9.194384661e+01 1.305464381e+02 1.897926555e+02 9.227101848e+01 1.369543635e+02 1.54 1.965759394e+02 1.078314384e+02 1.667718702e+02 1.965480470e+02 1.965318564e+02 8.192631677e+01 1.232389467e+02 1.771361389e+02 8.197461065e+01 1.298328107e+02 1.56 1.836693976e+02 1.015215019e+02 1.556335926e+02 1.836551914e+02 1.836425498e+02 7.262370603e+01 1.165362717e+02 1.653469999e+02 7.247038902e+01 1.231126918e+02 1.58 1.716193830e+02 9.591983318e+01 1.453940718e+02 1.716213286e+02 1.716163701e+02 6.403423335e+01 1.104001087e+02 1.544007857e+02 6.375800178e+01 1.168009529e+02 1.60 1.604009536e+02 9.043225141e+01 1.360111716e+02 1.604219162e+02 1.604285353e+02 5.614567080e+01 1.047922188e+02 1.442709886e+02 5.581811978e+01 1.109026962e+02 1.62 1.499871890e+02 7.973822352e+01 1.274439035e+02 1.500278220e+02 1.500470657e+02 4.893776883e+01 9.967712589e+01 1.349296546e+02 4.861949761e+01 1.054204353e+02 1.64 1.403500355e+02 7.001134780e+01 1.196510772e+02 1.404077358e+02 1.404378559e+02 4.238520102e+01 9.018173013e+01 1.263470539e+02 4.212226454e+01 9.706167722e+01 1.66 1.314614936e+02 6.124239497e+01 1.125891894e+02 1.315297067e+02 1.315669120e+02 3.645818053e+01 8.010186781e+01 1.184917008e+02 3.628135984e+01 8.645246787e+01 1.68 1.232934774e+02 5.339459420e+01 1.062119250e+02 1.233625056e+02 1.234020188e+02 3.112248087e+01 7.078403238e+01 1.113308490e+02 3.104825231e+01 7.655918784e+01 1.70 1.158172337e+02 4.641132866e+01 1.004729445e+02 1.158760280e+02 1.159130840e+02 2.634057712e+01 6.222182961e+01 1.048299504e+02 2.637197127e+01 6.740350739e+01 1.72 1.090026476e+02 4.022018983e+01 9.532833682e+01 1.090410553e+02 1.090716345e+02 2.207352203e+01 5.438877993e+01 9.895309783e+01 2.220156506e+01 5.898594063e+01 1.74 1.028167427e+02 3.473871006e+01 9.073656328e+01 1.028284059e+02 1.028497957e+02 1.828235454e+01 4.724943564e+01 9.366428630e+01 1.848599329e+01 5.129258908e+01 1.76 9.722397364e+01 2.987881538e+01 8.114890882e+01 9.720845309e+01 9.721972044e+01 1.492956444e+01 4.078011744e+01 8.776672718e+01 1.517583332e+01 4.430049177e+01 1.78 9.218742112e+01 2.556497095e+01 7.197821508e+01 9.214972011e+01 9.215104358e+01 1.197983027e+01 3.495359307e+01 7.762967128e+01 1.223528766e+01 3.798125654e+01 1.80 8.493079045e+01 2.175052729e+01 6.361633773e+01 8.488389930e+01 8.488379448e+01 9.399861714e+00 2.973579201e+01 6.833257179e+01 9.637917050e+00 3.230313043e+01 1.82 7.517187086e+01 1.839098964e+01 5.603331720e+01 7.511620579e+01 7.510668134e+01 7.157740001e+00 2.508808096e+01 5.988167628e+01 7.357495702e+00 2.723188412e+01 1.84 6.622368803e+01 1.544045699e+01 4.917966336e+01 6.616894611e+01 6.615132603e+01 5.222432446e+00 2.096926510e+01 5.226257956e+01 5.368209029e+00 2.273080521e+01 1.86 5.808919956e+01 1.285172923e+01 4.299335539e+01 5.804254638e+01 5.801838217e+01 3.562280124e+00 1.733678246e+01 4.544518811e+01 3.645716815e+00 1.876074689e+01 1.88 5.075362374e+01 1.057665727e+01 3.741057314e+01 5.071879013e+01 5.068979035e+01 2.143215026e+00 1.414921466e+01 3.938789471e+01 2.166186851e+00 1.528150070e+01 1.90 4.418799029e+01 8.567195090e+00 3.239071499e+01 4.416581870e+01 4.413394645e+01 9.371087390e-01 1.136719270e+01 3.404096673e+01 9.055882284e-01 1.225250060e+01 1.92 3.835184580e+01 6.777169334e+00 2.789973383e+01 3.834180516e+01 3.830946935e+01 -7.839005462e-02 8.953231579e+00 2.934914205e+01 -1.623834439e-01 9.633147322e+00 1.94 3.319695773e+01 5.166869427e+00 2.390265911e+01 3.319812041e+01 3.316819128e+01 -9.226333998e-01 6.871335581e+00 2.525412522e+01 -1.061433928e+00 7.383655335e+00 1.96 2.867077687e+01 3.720499351e+00 2.036412430e+01 2.868182684e+01 2.865736464e+01 -1.614136527e+00 5.086619784e+00 2.169631294e+01 -1.810683821e+00 5.465852821e+00 1.98 2.471808191e+01 2.430583379e+00 1.724826861e+01 2.473716978e+01 2.472099148e+01 -2.171441759e+00 3.564970276e+00 1.861552836e+01 -2.426542649e+00 3.843350136e+00 2.00 2.128205767e+01 1.288699441e+00 1.451828567e+01 2.130689565e+01 2.130109140e+01 -2.612892161e+00 2.272778347e+00 1.595183360e+01 -2.924371713e+00 2.481527329e+00 2.02 1.830553303e+01 2.851527812e-01 1.213634691e+01 1.833336772e+01 1.833880358e+01 -2.956194972e+00 1.177168325e+00 1.364595138e+01 -3.319475916e+00 1.347600275e+00 2.04 1.573186120e+01 -5.911544641e-01 1.006401175e+01 1.575951615e+01 1.577556652e+01 -3.217954062e+00 2.470933490e-01 1.163963283e+01 -3.627468730e+00 4.105571500e-01 2.06 1.350519367e+01 -1.352968810e+00 8.262961458e+00 1.352960478e+01 1.355434372e+01 -3.413153082e+00 -5.416180168e-01 9.876521412e+00 -3.863677942e+00 -3.591740691e-01 2.08 1.157056892e+01 -2.015697035e+00 6.695148522e+00 1.158956818e+01 1.162027176e+01 -3.555224557e+00 -1.208945681e+00 8.302476931e+00 -4.042555685e+00 -9.916508674e-01 2.10 9.874318677e+00 -2.593162290e+00 5.322982034e+00 9.887240285e+00 9.920978282e+00 -3.656945427e+00 -1.776630648e+00 6.868088699e+00 -4.177470286e+00 -1.516842592e+00 2.12 8.364870681e+00 -3.096204264e+00 4.109699015e+00 8.372600123e+00 8.406707911e+00 -3.731065406e+00 -2.264021643e+00 5.547361362e+00 -4.280644484e+00 -1.961103974e+00 2.14 6.993228216e+00 -3.533354138e+00 3.019955174e+00 6.997767640e+00 7.030134108e+00 -3.790090002e+00 -2.688126278e+00 4.327122343e+00 -4.363084079e+00 -2.347658642e+00 2.16 5.714214610e+00 -3.911703710e+00 2.020901706e+00 5.717975501e+00 5.747137909e+00 -3.845785679e+00 -3.064249264e+00 3.194759391e+00 -4.434750151e+00 -2.697091090e+00 2.18 4.508069338e+00 -4.235431260e+00 1.096310469e+00 4.513290105e+00 4.538373181e+00 -3.903015183e+00 -3.400110341e+00 2.144903365e+00 -4.500382610e+00 -3.018471878e+00 2.20 3.377904012e+00 -4.506875768e+00 2.448522577e-01 3.386172426e+00 3.406715553e+00 -3.960310306e+00 -3.697016078e+00 1.178880725e+00 -4.559905538e+00 -3.311097323e+00 2.22 2.326859140e+00 -4.729544180e+00 -5.348582743e-01 2.338654953e+00 2.354361839e+00 -4.016233777e+00 -3.957055006e+00 2.971848815e-01 -4.613100578e+00 -3.574999779e+00 2.24 1.357149699e+00 -4.908214651e+00 -1.244882578e+00 1.371686500e+00 1.382253522e+00 -4.069486899e+00 -4.183241568e+00 -5.009707548e-01 -4.659619248e+00 -3.811256284e+00 2.26 4.699384517e-01 -5.048542213e+00 -1.889289705e+00 4.853759973e-01 4.904926213e-01 -4.118784867e+00 -4.378955008e+00 -1.217897207e+00 -4.698911401e+00 -4.021698148e+00 2.28 -3.348929133e-01 -5.156490345e+00 -2.472186666e+00 -3.210369475e-01 -3.216283856e-01 -4.162896971e+00 -4.547471418e+00 -1.858967988e+00 -4.730260918e+00 -4.208598393e+00 2.30 -1.059099832e+00 -5.237861318e+00 -2.996316743e+00 -1.049392484e+00 -1.055788927e+00 -4.200764817e+00 -4.691750843e+00 -2.430645319e+00 -4.752914846e+00 -4.374431265e+00 2.32 -1.707328362e+00 -5.297812612e+00 -3.463327223e+00 -1.703915384e+00 -1.715955822e+00 -4.231495870e+00 -4.814303907e+00 -2.938771986e+00 -4.766251939e+00 -4.521431656e+00 2.34 -2.285883784e+00 -5.340654108e+00 -3.874143671e+00 -2.290206448e+00 -2.307458118e+00 -4.254297141e+00 -4.917006958e+00 -3.388487764e+00 -4.769956253e+00 -4.651066284e+00 2.36 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