# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Chen-Y-Fang-J-Liu-L-et-al--W-Ta # implementation = 2019--Chen-Y--W-Ta--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 2022-05-24 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 5.951751111e+03 nan 0.74 nan nan nan nan nan nan nan nan 5.237945354e+03 nan 0.76 nan nan nan nan nan nan nan nan 4.621577074e+03 nan 0.78 nan nan nan nan nan 3.643969684e+03 nan nan 4.087352016e+03 nan 0.80 nan nan nan nan nan 3.236496669e+03 nan nan 3.623042821e+03 nan 0.82 nan nan nan nan nan 2.881402114e+03 nan nan 3.214587224e+03 nan 0.84 nan nan nan nan nan 2.570625513e+03 nan nan 2.851944224e+03 nan 0.86 nan nan nan nan nan 2.298006922e+03 nan nan 2.534994612e+03 nan 0.88 nan nan nan 5.791044871e+03 5.791613659e+03 2.058312243e+03 nan nan 2.257314951e+03 3.494887618e+03 0.90 nan 3.016290097e+03 nan 5.220278814e+03 5.220911281e+03 1.847013733e+03 3.140815266e+03 nan 2.013174889e+03 3.133463816e+03 0.92 nan 2.686033772e+03 nan 4.714101130e+03 4.714521385e+03 1.660334552e+03 2.817276728e+03 nan 1.798391066e+03 2.815116387e+03 0.94 nan 2.394303887e+03 nan 4.263698160e+03 4.263957803e+03 1.494814467e+03 2.531680725e+03 nan 1.608991760e+03 2.532970085e+03 0.96 nan 2.136302395e+03 nan 3.862341099e+03 3.862466514e+03 1.347996256e+03 2.273859954e+03 nan 1.441663060e+03 2.282445442e+03 0.98 nan 1.907891782e+03 nan 3.503851942e+03 3.503874585e+03 1.217778927e+03 2.044591208e+03 3.181500616e+03 1.293437197e+03 2.059745811e+03 1.00 3.182885007e+03 1.705646986e+03 2.735452215e+03 3.182732424e+03 3.182724883e+03 1.101905855e+03 1.840501766e+03 2.866708743e+03 1.161895346e+03 1.861336466e+03 1.02 2.862819485e+03 1.522784677e+03 2.456270111e+03 2.862753268e+03 2.862573232e+03 9.876495114e+02 1.647722610e+03 2.575151555e+03 1.037050541e+03 1.668313362e+03 1.04 2.576914419e+03 1.360628300e+03 2.206752120e+03 2.576794645e+03 2.576468967e+03 8.857367632e+02 1.475944291e+03 2.315022549e+03 9.264818668e+02 1.496286551e+03 1.06 2.321348091e+03 1.216640729e+03 1.984717060e+03 2.321325104e+03 2.321177138e+03 7.951581357e+02 1.322967866e+03 2.082615123e+03 8.284494201e+02 1.342780728e+03 1.08 2.092468149e+03 1.088978964e+03 1.786418716e+03 2.092567977e+03 2.092638787e+03 7.142700611e+02 1.186597961e+03 1.874809678e+03 7.412638402e+02 1.205541510e+03 1.10 1.887365340e+03 9.754670104e+02 1.609058691e+03 1.887524147e+03 1.887706098e+03 6.419839587e+02 1.064984426e+03 1.688891524e+03 6.635563774e+02 1.082928978e+03 1.12 1.703546653e+03 8.742929584e+02 1.450184675e+03 1.703670617e+03 1.703849601e+03 5.772898237e+02 9.563991659e+02 1.522564351e+03 5.943513499e+02 9.736162270e+02 1.14 1.538664029e+03 7.839166190e+02 1.307678386e+03 1.538744149e+03 1.538892739e+03 5.193027692e+02 8.593300798e+02 1.373522761e+03 5.327134470e+02 8.760934643e+02 1.16 1.390780470e+03 7.030654276e+02 1.179771823e+03 1.390859740e+03 1.390992387e+03 4.673233606e+02 7.724893759e+02 1.240242490e+03 4.776859496e+02 7.888814210e+02 1.18 1.258151233e+03 6.308256996e+02 1.064914398e+03 1.258241349e+03 1.258351572e+03 4.207679780e+02 6.947648332e+02 1.120309553e+03 4.284951546e+02 7.107319199e+02 1.20 1.138451575e+03 5.662848240e+02 9.617075326e+02 1.138601695e+03 1.138737504e+03 3.790659572e+02 6.251375205e+02 1.012340959e+03 3.844701036e+02 6.404736495e+02 1.22 1.030631265e+03 5.086033991e+02 8.688875548e+02 1.030809465e+03 1.030951585e+03 3.416514887e+02 5.627031413e+02 9.152502032e+02 3.450834700e+02 5.774649360e+02 1.24 9.335617789e+02 4.569910297e+02 7.857200080e+02 9.337435907e+02 9.338857366e+02 3.083896847e+02 5.068485630e+02 8.279138244e+02 3.100442350e+02 5.209681229e+02 1.26 8.460624100e+02 4.107456973e+02 7.108266949e+02 8.462093796e+02 8.463289765e+02 2.784379660e+02 4.566876695e+02 7.492167997e+02 2.787130465e+02 4.701998880e+02 1.28 7.670733738e+02 3.692422011e+02 6.432623068e+02 7.671663525e+02 7.672503912e+02 2.513602314e+02 4.116499465e+02 6.781939375e+02 2.505780545e+02 4.244885790e+02 1.30 6.956685318e+02 3.319228465e+02 5.822887618e+02 6.957211467e+02 6.957800348e+02 2.268957536e+02 3.712375311e+02 6.140733676e+02 2.253015497e+02 3.832871155e+02 1.32 6.310404936e+02 2.983175699e+02 5.272308186e+02 6.310873973e+02 6.311498855e+02 2.048005256e+02 3.349534396e+02 5.561923531e+02 2.025923400e+02 3.461203826e+02 1.34 5.725519098e+02 2.680726867e+02 4.774695439e+02 5.726065608e+02 5.726790415e+02 1.848176581e+02 3.022954507e+02 5.039668401e+02 1.821942631e+02 3.125974475e+02 1.36 5.196536118e+02 2.409136121e+02 4.324259514e+02 5.196908086e+02 5.197420719e+02 1.666921754e+02 2.728508382e+02 4.568261416e+02 1.640148623e+02 2.823978661e+02 1.38 4.718143358e+02 2.165211723e+02 3.915922488e+02 4.717896552e+02 4.717732238e+02 1.502170445e+02 2.464762863e+02 4.142003811e+02 1.475857874e+02 2.551992034e+02 1.40 4.285004884e+02 1.945594822e+02 3.546325910e+02 4.284066155e+02 4.283157653e+02 1.352858583e+02 2.227055717e+02 3.756435280e+02 1.327589669e+02 2.306792128e+02 1.42 3.893209924e+02 1.747633071e+02 3.212781318e+02 3.891916911e+02 3.890614948e+02 1.218159775e+02 2.011952582e+02 3.407924460e+02 1.193929889e+02 2.086911265e+02 1.44 3.539412685e+02 1.569493406e+02 2.912077942e+02 3.538137028e+02 3.536830944e+02 1.096822608e+02 1.817242978e+02 3.092938859e+02 1.073374193e+02 1.890776071e+02 1.46 3.218406872e+02 1.409553511e+02 2.640318237e+02 3.217291052e+02 3.216140233e+02 9.872124088e+01 1.640908461e+02 2.806563144e+02 9.644673286e+01 1.712756023e+02 1.48 2.926537794e+02 1.265968656e+02 2.394174217e+02 2.925617213e+02 2.924671665e+02 8.878357077e+01 1.481214045e+02 2.545758287e+02 8.660019065e+01 1.551030103e+02 1.50 2.660174636e+02 1.136915802e+02 2.171020805e+02 2.659555101e+02 2.658928458e+02 7.976532338e+01 1.336661640e+02 2.308188636e+02 7.770336541e+01 1.403839984e+02 1.52 2.416412829e+02 1.020806108e+02 1.968641218e+02 2.416298701e+02 2.416177501e+02 7.158895512e+01 1.205901082e+02 2.092184507e+02 6.967664277e+01 1.269651350e+02 1.54 2.193836575e+02 9.162856961e+01 1.785049098e+02 2.194331799e+02 2.194796164e+02 6.418293118e+01 1.087687677e+02 1.896357996e+02 6.243596095e+01 1.147499384e+02 1.56 1.991644793e+02 8.221492108e+01 1.618272483e+02 1.992641117e+02 1.993581860e+02 5.746420699e+01 9.807564348e+01 1.719354093e+02 5.589317119e+01 1.036693091e+02 1.58 1.808866046e+02 7.373467846e+01 1.466349653e+02 1.810086649e+02 1.811240820e+02 5.133623913e+01 8.838883211e+01 1.559271451e+02 4.996048457e+01 9.365018870e+01 1.60 1.643502219e+02 6.609423040e+01 1.327582152e+02 1.644687414e+02 1.645812956e+02 4.571185896e+01 7.960231270e+01 1.414158868e+02 4.456147486e+01 8.458529703e+01 1.62 1.493447606e+02 5.920780845e+01 1.200811787e+02 1.494428902e+02 1.495372692e+02 4.054591842e+01 7.174847839e+01 1.282282026e+02 3.963791192e+01 7.636556158e+01 1.64 1.356870299e+02 5.306786551e+01 1.085438110e+02 1.357592995e+02 1.358308152e+02 3.584306506e+01 6.460434739e+01 1.162334812e+02 3.522811119e+01 6.889380543e+01 1.66 1.232468020e+02 4.761883892e+01 9.809837649e+01 1.232945718e+02 1.233445610e+02 3.161432657e+01 5.812161320e+01 1.053190578e+02 3.124920221e+01 6.209522363e+01 1.68 1.119109482e+02 4.266250663e+01 8.867776155e+01 1.119392907e+02 1.119724220e+02 2.784583394e+01 5.224882859e+01 9.538222733e+01 2.765317131e+01 5.590552285e+01 1.70 1.015751576e+02 3.815725621e+01 8.017532428e+01 1.015886777e+02 1.016086969e+02 2.448111459e+01 4.692907836e+01 8.632907367e+01 2.439870357e+01 5.026553351e+01 1.72 9.214438564e+01 3.406589583e+01 7.248271009e+01 9.214665706e+01 9.215582719e+01 2.145978569e+01 4.210841008e+01 7.807360390e+01 2.143525708e+01 4.512248013e+01 1.74 8.353459644e+01 3.035323567e+01 6.557957599e+01 8.352856012e+01 8.352851102e+01 1.873270041e+01 3.773189595e+01 7.054179195e+01 1.871639576e+01 4.043309823e+01 1.76 7.567399080e+01 2.698516922e+01 5.938891671e+01 7.566242556e+01 7.565490522e+01 1.626952477e+01 3.374368336e+01 6.367479810e+01 1.621135959e+01 3.616042421e+01 1.78 6.850228762e+01 2.393150549e+01 5.372859948e+01 6.848696426e+01 6.847332851e+01 1.404404332e+01 3.009129643e+01 5.742580354e+01 1.391312840e+01 3.227205147e+01 1.80 6.195779961e+01 2.125923533e+01 4.855167502e+01 6.193993594e+01 6.192156965e+01 1.203246270e+01 2.673492338e+01 5.174824991e+01 1.182153195e+01 2.872489936e+01 1.82 5.598093981e+01 1.887574619e+01 4.381711548e+01 5.596151143e+01 5.593983753e+01 1.021400078e+01 2.366226243e+01 4.659476974e+01 9.935802547e+00 2.547067141e+01 1.84 5.051974247e+01 1.667602867e+01 3.948778211e+01 5.049887656e+01 5.047457227e+01 8.569634397e+00 2.086699747e+01 4.191617542e+01 8.240921382e+00 2.246555372e+01 1.86 4.553166595e+01 1.464685685e+01 3.552958291e+01 4.550836804e+01 4.548116689e+01 7.082492806e+00 1.834365378e+01 3.766533637e+01 6.712397070e+00 1.967870555e+01 1.88 4.098951783e+01 1.277571982e+01 3.191354156e+01 4.096251138e+01 4.093189968e+01 5.739874518e+00 1.606910946e+01 3.380652636e+01 5.327783688e+00 1.711412147e+01 1.90 3.686826434e+01 1.105021654e+01 2.861335631e+01 3.683685777e+01 3.680270786e+01 4.530580931e+00 1.404852904e+01 3.031085258e+01 4.069576535e+00 1.478303237e+01 1.92 3.314507218e+01 9.458703420e+00 2.560568831e+01 3.310951110e+01 3.307240582e+01 3.445043459e+00 1.221323780e+01 2.715383254e+01 2.927309439e+00 1.269679795e+01 1.94 2.978725975e+01 7.990380589e+00 2.286878902e+01 2.974887860e+01 2.971022587e+01 2.475287601e+00 1.052460731e+01 2.430587015e+01 1.892347087e+00 1.084373535e+01 1.96 2.675368960e+01 6.635641122e+00 2.038241136e+01 2.671495383e+01 2.667693755e+01 1.614249652e+00 8.972357398e+00 2.192716359e+01 9.568668712e-01 9.191364741e+00 1.98 2.400560581e+01 5.386185185e+00 1.812682324e+01 2.396975526e+01 2.393514478e+01 8.547694669e-01 7.547434708e+00 1.973200672e+01 1.139790058e-01 7.707634401e+00 2.00 2.151194976e+01 4.236227454e+00 1.608193513e+01 2.148215192e+01 2.145370833e+01 1.882098007e-01 6.241195098e+00 1.770033963e+01 -6.430111454e-01 6.365779182e+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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