# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Chen-Y-Fang-J-Liao-X-et-al--W-Ta-He # implementation = 2021--Chen-Y--W-Ta-He--LAMMPS--ipr1 # composition = Ta # 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 2022-12-14 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 5.956837707e+03 nan 0.74 nan nan nan nan nan nan nan nan 5.242416855e+03 nan 0.76 nan nan nan nan nan nan nan nan 4.625521128e+03 nan 0.78 nan nan nan nan nan 3.646993960e+03 nan nan 4.090841593e+03 nan 0.80 nan nan nan nan nan 3.239191877e+03 nan nan 3.626139019e+03 nan 0.82 nan nan nan nan nan 2.883811903e+03 nan nan 3.217330563e+03 nan 0.84 nan nan nan nan nan 2.572785854e+03 nan nan 2.854363855e+03 nan 0.86 nan nan nan nan nan 2.299948519e+03 nan nan 2.537133925e+03 nan 0.88 nan nan nan 5.796170532e+03 5.796740330e+03 2.060061852e+03 nan nan 2.259210967e+03 3.497887733e+03 0.90 nan 3.018978797e+03 nan 5.224928362e+03 5.225561951e+03 1.848593979e+03 3.143539889e+03 nan 2.014858872e+03 3.136156905e+03 0.92 nan 2.688389383e+03 nan 4.718326937e+03 4.718747952e+03 1.661764768e+03 2.819719068e+03 nan 1.799890297e+03 2.817540341e+03 0.94 nan 2.396369236e+03 nan 4.267544604e+03 4.267804730e+03 1.496111403e+03 2.533875085e+03 nan 1.610329272e+03 2.535155800e+03 0.96 nan 2.138114611e+03 nan 3.865847197e+03 3.865972886e+03 1.349174471e+03 2.275820750e+03 nan 1.442858605e+03 2.284419822e+03 0.98 nan 1.909483080e+03 nan 3.507052090e+03 3.507074848e+03 1.218851118e+03 2.046344572e+03 3.184399700e+03 1.294507871e+03 2.061532335e+03 1.00 3.185809210e+03 1.707045294e+03 2.737898821e+03 3.185656623e+03 3.185649078e+03 1.102882993e+03 1.842071701e+03 2.869294749e+03 1.162855868e+03 1.862955468e+03 1.02 2.865400942e+03 1.524002990e+03 2.458422545e+03 2.865334358e+03 2.865153956e+03 9.885097014e+02 1.649098587e+03 2.577428961e+03 1.037890056e+03 1.669735926e+03 1.04 2.579193178e+03 1.361689670e+03 2.208645669e+03 2.579072772e+03 2.578746463e+03 8.864940615e+02 1.477150337e+03 2.317028189e+03 9.272157846e+02 1.497536554e+03 1.06 2.323359748e+03 1.217565263e+03 1.986384616e+03 2.323336367e+03 2.323188006e+03 7.958258129e+02 1.324025324e+03 2.084381468e+03 8.290912969e+02 1.343879239e+03 1.08 2.094244048e+03 1.089784776e+03 1.787887632e+03 2.094343774e+03 2.094414481e+03 7.148589841e+02 1.187525152e+03 1.876365263e+03 7.418253552e+02 1.206506973e+03 1.10 1.888933094e+03 9.761696304e+02 1.610352541e+03 1.889092019e+03 1.889274089e+03 6.425034336e+02 1.065797381e+03 1.690261437e+03 6.640476151e+02 1.083777549e+03 1.12 1.704930597e+03 8.749057237e+02 1.451324215e+03 1.705054845e+03 1.705234113e+03 5.777480374e+02 9.571119177e+02 1.523771034e+03 5.947812076e+02 9.743620664e+02 1.14 1.539885619e+03 7.844510769e+02 1.308681894e+03 1.539966146e+03 1.540115142e+03 5.197069278e+02 8.599549171e+02 1.374585829e+03 5.330897222e+02 8.767489892e+02 1.16 1.391859198e+03 7.035314680e+02 1.180655397e+03 1.391938892e+03 1.392071961e+03 4.676798101e+02 7.730370642e+02 1.241180030e+03 4.780152852e+02 7.894577136e+02 1.18 1.259105044e+03 6.312320327e+02 1.065692222e+03 1.259195417e+03 1.259305897e+03 4.210823095e+02 6.952448064e+02 1.121136385e+03 4.287833580e+02 7.112389569e+02 1.20 1.139294767e+03 5.666389386e+02 9.623921050e+02 1.139445012e+03 1.139580947e+03 3.793430987e+02 6.255580489e+02 1.013069984e+03 3.847222542e+02 6.409196797e+02 1.22 1.031376499e+03 5.089118472e+02 8.694898910e+02 1.031554721e+03 1.031696861e+03 3.418957856e+02 5.630714779e+02 9.158928173e+02 3.453040124e+02 5.778572168e+02 1.24 9.342202656e+02 4.572595437e+02 7.862505452e+02 9.344020773e+02 9.345442233e+02 3.086056968e+02 5.071713768e+02 8.284800961e+02 3.102373720e+02 5.213130418e+02 1.26 8.466440774e+02 4.109792932e+02 7.112940304e+02 8.467910470e+02 8.469106438e+02 2.786291115e+02 4.569704733e+02 7.497156254e+02 2.788822659e+02 4.705030680e+02 1.28 7.675870146e+02 3.694452677e+02 6.436738125e+02 7.676799933e+02 7.677640321e+02 2.515293178e+02 4.118975823e+02 6.786331786e+02 2.507262507e+02 4.247549717e+02 1.30 6.961219340e+02 3.320992245e+02 5.826509523e+02 6.961745489e+02 6.962334370e+02 2.270452730e+02 3.714542539e+02 6.144599713e+02 2.254312654e+02 3.835210824e+02 1.32 6.314405556e+02 2.984706203e+02 5.275494511e+02 6.314874592e+02 6.315499475e+02 2.049326901e+02 3.351429890e+02 5.565324591e+02 2.027058096e+02 3.463257664e+02 1.34 5.729047425e+02 2.682053508e+02 4.777497067e+02 5.729593935e+02 5.730318742e+02 1.849344311e+02 3.024611140e+02 5.042659263e+02 1.822934819e+02 3.127776344e+02 1.36 5.199646288e+02 2.410284639e+02 4.326721416e+02 5.200018256e+02 5.200530889e+02 1.667952997e+02 2.729955059e+02 4.570890856e+02 1.641019469e+02 2.825558410e+02 1.38 4.720883333e+02 2.166204645e+02 3.918084411e+02 4.720636527e+02 4.720472213e+02 1.503080669e+02 2.466028788e+02 4.144313947e+02 1.476621681e+02 2.553375978e+02 1.40 4.287417156e+02 1.946451864e+02 3.548222984e+02 4.286478427e+02 4.285569925e+02 1.353661517e+02 2.228164291e+02 3.758463356e+02 1.328259066e+02 2.308003470e+02 1.42 3.895333413e+02 1.748371486e+02 3.214444593e+02 3.894040400e+02 3.892738437e+02 1.218867604e+02 2.012922458e+02 3.409704263e+02 1.194516023e+02 2.087973010e+02 1.44 3.541283306e+02 1.570128295e+02 2.913534863e+02 3.540007649e+02 3.538701566e+02 1.097446149e+02 1.818090619e+02 3.094501223e+02 1.073886907e+02 1.891711382e+02 1.46 3.220053419e+02 1.410098086e+02 2.641593063e+02 3.218937600e+02 3.217786781e+02 9.877612580e+01 1.641648397e+02 2.807933323e+02 9.649153124e+01 1.713579296e+02 1.48 2.927985821e+02 1.266434482e+02 2.395288389e+02 2.927065241e+02 2.926119693e+02 8.883183836e+01 1.481859100e+02 2.546958641e+02 8.663928339e+01 1.551754117e+02 1.50 2.661446821e+02 1.137312996e+02 2.171993274e+02 2.660827287e+02 2.660200643e+02 7.980772956e+01 1.337223133e+02 2.309238959e+02 7.773743007e+01 1.404476076e+02 1.52 2.417529295e+02 1.021143522e+02 1.969488735e+02 2.417415168e+02 2.417293967e+02 7.162617067e+01 1.206389002e+02 2.093102325e+02 6.970627762e+01 1.270209584e+02 1.54 2.194815179e+02 9.165710750e+01 1.785786467e+02 2.195310403e+02 2.195774768e+02 6.421555131e+01 1.088110841e+02 1.897158822e+02 6.246169426e+01 1.147988686e+02 1.56 1.992501378e+02 8.223893290e+01 1.618912788e+02 1.993497702e+02 1.994438445e+02 5.749275983e+01 9.811226241e+01 1.720051661e+02 5.591546943e+01 1.037121383e+02 1.58 1.809614669e+02 7.375475667e+01 1.466904456e+02 1.810835272e+02 1.811989443e+02 5.136119325e+01 8.842044027e+01 1.559877915e+02 4.997975960e+01 9.368761987e+01 1.60 1.644155352e+02 6.611089311e+01 1.328061671e+02 1.645340547e+02 1.646466089e+02 4.573363005e+01 7.962951697e+01 1.414684985e+02 4.457809032e+01 8.461795366e+01 1.62 1.494016310e+02 5.922150857e+01 1.201225050e+02 1.494997606e+02 1.495941396e+02 4.056487524e+01 7.177205449e+01 1.282737317e+02 3.965218886e+01 7.639399680e+01 1.64 1.357364388e+02 5.307913192e+01 1.085793094e+02 1.358087084e+02 1.358802240e+02 3.585953469e+01 6.462472547e+01 1.162727699e+02 3.524046341e+01 6.891850987e+01 1.66 1.232896196e+02 4.762821959e+01 9.812875163e+01 1.233373894e+02 1.233873786e+02 3.162859910e+01 5.813917302e+01 1.053528514e+02 3.125990660e+01 6.211663242e+01 1.68 1.119479463e+02 4.267024520e+01 8.870363586e+01 1.119762887e+02 1.120094200e+02 2.785816661e+01 5.226390628e+01 9.541118494e+01 2.766242082e+01 5.592402186e+01 1.70 1.016070204e+02 3.816356654e+01 8.019724747e+01 1.016205404e+02 1.016405597e+02 2.449173551e+01 4.694197134e+01 8.635377834e+01 2.440666926e+01 5.028146489e+01 1.72 9.217171978e+01 3.407096554e+01 7.250116753e+01 9.217399120e+01 9.218316132e+01 2.146889707e+01 4.211938154e+01 7.809457117e+01 2.144209061e+01 4.513614719e+01 1.74 8.355793966e+01 3.035722931e+01 6.559513814e+01 8.355190335e+01 8.355185425e+01 1.874048149e+01 3.774117869e+01 7.055947760e+01 1.872223156e+01 4.044476984e+01 1.76 7.569381964e+01 2.698823108e+01 5.940213594e+01 7.568225441e+01 7.567473406e+01 1.627613438e+01 3.375148330e+01 6.368960500e+01 1.621631680e+01 3.617033863e+01 1.78 6.851902430e+01 2.393376202e+01 5.373975727e+01 6.850370094e+01 6.849006519e+01 1.404962221e+01 3.009779563e+01 5.743808767e+01 1.391731257e+01 3.228041981e+01 1.80 6.197181815e+01 2.126098765e+01 4.856102071e+01 6.195395447e+01 6.193558818e+01 1.203713554e+01 2.674028278e+01 5.175832576e+01 1.182503658e+01 2.873190863e+01 1.82 5.599257142e+01 1.887720014e+01 4.382486989e+01 5.597314304e+01 5.595146914e+01 1.021787798e+01 2.366662426e+01 4.660291504e+01 9.938710448e+00 2.547648721e+01 1.84 5.052928040e+01 1.667722091e+01 3.949414073e+01 5.050841449e+01 5.048411020e+01 8.572813706e+00 2.087048738e+01 4.192263535e+01 8.243305863e+00 2.247032268e+01 1.86 4.553936975e+01 1.464781983e+01 3.553471877e+01 4.551607183e+01 4.548887069e+01 7.085060737e+00 1.834638275e+01 3.767032732e+01 6.714323018e+00 1.968255744e+01 1.88 4.099561712e+01 1.277648224e+01 3.191760776e+01 4.096861067e+01 4.093799897e+01 5.741907616e+00 1.607117543e+01 3.381023918e+01 5.329308512e+00 1.711717112e+01 1.90 3.687296222e+01 1.105080378e+01 2.861648823e+01 3.684155565e+01 3.680740574e+01 4.532146893e+00 1.405009501e+01 3.031345557e+01 4.070751007e+00 1.478538131e+01 1.92 3.314854821e+01 9.459137923e+00 2.560800566e+01 3.311298712e+01 3.307588184e+01 3.446202133e+00 1.221439647e+01 2.715547400e+01 2.928178444e+00 1.269853596e+01 1.94 2.978967256e+01 7.990682190e+00 2.287039756e+01 2.975129142e+01 2.971263869e+01 2.476091872e+00 1.052541158e+01 2.430668045e+01 1.892950290e+00 1.084494175e+01 1.96 2.675517932e+01 6.635827337e+00 2.038340451e+01 2.671644355e+01 2.667842727e+01 1.614746226e+00 8.972853972e+00 2.192766016e+01 9.572393012e-01 9.192109601e+00 1.98 2.400629611e+01 5.386271473e+00 1.812728345e+01 2.397044557e+01 2.393583509e+01 8.549995696e-01 7.547664810e+00 1.973223682e+01 1.141515828e-01 7.707979555e+00 2.00 2.151195285e+01 4.236227840e+00 1.608193719e+01 2.148215501e+01 2.145371142e+01 1.882108305e-01 6.241196128e+00 1.770034066e+01 -6.430103731e-01 6.365780727e+00 2.02 1.953072139e+01 3.215964117e+00 1.441422092e+01 1.950944330e+01 1.948937398e+01 -3.012825326e-01 5.137906376e+00 1.591333433e+01 -1.250782686e+00 5.291788963e+00 2.04 1.766828220e+01 2.274574969e+00 1.285466601e+01 1.765696822e+01 1.764656751e+01 -7.478058191e-01 4.100051628e+00 1.423575277e+01 -1.808602412e+00 4.287604239e+00 2.06 1.591674736e+01 1.408156450e+00 1.139238528e+01 1.591593585e+01 1.591568599e+01 -1.156643420e+00 3.118054382e+00 1.266126137e+01 -2.320185815e+00 3.348009181e+00 2.08 1.426966833e+01 6.070835947e-01 1.001796309e+01 1.427906386e+01 1.428869861e+01 -1.532372497e+00 2.183949246e+00 1.118436999e+01 -2.791134139e+00 2.468498285e+00 2.10 1.272084570e+01 -1.400622561e-01 8.723195408e+00 1.273929950e+01 1.275773987e+01 -1.879122888e+00 1.293306314e+00 9.800339895e+00 -3.226827485e+00 1.644556764e+00 2.12 1.126520917e+01 -8.445951131e-01 7.504141042e+00 1.129104302e+01 1.131670010e+01 -2.199233632e+00 4.502922855e-01 8.504468072e+00 -3.631902460e+00 8.720331812e-01 2.14 9.897895619e+00 -1.516217613e+00 6.358939250e+00 9.929311206e+00 9.960479994e+00 -2.494003067e+00 -3.388624726e-01 7.291818768e+00 -4.007792212e+00 1.469871948e-01 2.16 8.614906867e+00 -2.153460122e+00 5.285750399e+00 8.650074470e+00 8.684994723e+00 -2.764772414e+00 -1.067837688e+00 6.157745825e+00 -4.351183009e+00 -5.323543712e-01 2.18 7.412647775e+00 -2.748768240e+00 4.281974541e+00 7.449684924e+00 7.486520563e+00 -3.013399920e+00 -1.732371109e+00 5.097570220e+00 -4.659427909e+00 -1.167010949e+00 2.20 6.287615782e+00 -3.293638383e+00 3.340711091e+00 6.324566273e+00 6.361383843e+00 -3.241924523e+00 -2.335679834e+00 4.106391544e+00 -4.930257808e+00 -1.757958323e+00 2.22 5.235839375e+00 -3.780807027e+00 2.453046504e+00 5.270865989e+00 5.305826802e+00 -3.452227761e+00 -2.883751628e+00 3.178920120e+00 -5.163800997e+00 -2.306248826e+00 2.24 4.252539423e+00 -4.212644527e+00 1.610657536e+00 4.284206465e+00 4.315850986e+00 -3.645621358e+00 -3.383145313e+00 2.310162231e+00 -5.364749540e+00 -2.813068151e+00 2.26 3.332951341e+00 -4.597422961e+00 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