# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Agrawal-A-Mirzaeifar-R--Cu-C # implementation = 2021--Agrawal-A--Cu-C--LAMMPS--ipr1 # composition = C # 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 -2.991303254e+01 nan nan nan nan 0.80 nan nan nan nan nan -2.411055124e+01 nan nan nan nan 0.82 nan nan nan nan nan -1.923345264e+01 nan nan 1.052782829e+02 nan 0.84 nan nan nan nan nan -1.516698521e+01 nan nan 1.021562761e+02 nan 0.86 nan nan nan nan nan -1.180844301e+01 nan nan 9.864949900e+01 nan 0.88 nan nan nan nan nan -9.066034100e+00 nan nan 9.485029481e+01 nan 0.90 nan 3.388082292e+02 nan nan nan -6.857848045e+00 nan nan 9.083829421e+01 1.339987240e+02 0.92 nan 3.219462253e+02 nan nan nan -5.110914845e+00 1.943201173e+02 nan 8.668185982e+01 1.299591538e+02 0.94 nan 3.053745607e+02 nan nan nan -3.760343844e+00 1.857194681e+02 nan 8.243938473e+01 1.256118817e+02 0.96 nan 2.891747959e+02 nan nan nan -2.748540335e+00 1.771036399e+02 nan 7.816045512e+01 1.210318661e+02 0.98 nan 2.734123870e+02 3.195935767e+02 nan nan -2.024491552e+00 1.685375505e+02 nan 7.388689179e+01 1.162845517e+02 1.00 nan 2.581387879e+02 3.049905837e+02 nan 3.105067386e+02 -1.543115065e+00 1.600756549e+02 2.999771683e+02 6.965368332e+01 1.114268491e+02 1.02 3.002819245e+02 2.433933181e+02 2.906026993e+02 2.988806484e+02 2.974793722e+02 -1.264667257e+00 1.517631888e+02 2.866565243e+02 6.548981909e+01 1.065080222e+02 1.04 2.872094933e+02 2.292048226e+02 2.764926788e+02 2.858681499e+02 2.845268064e+02 -1.154204430e+00 1.436372839e+02 2.734919893e+02 6.141903420e+01 1.015704949e+02 1.06 2.742853299e+02 2.155931426e+02 2.627120426e+02 2.730014872e+02 2.717176444e+02 -1.181092653e+00 1.357279662e+02 2.605443473e+02 5.746047395e+01 9.665058255e+01 1.08 2.615671628e+02 2.025704176e+02 2.493024196e+02 2.603384840e+02 2.591098052e+02 -1.318563543e+00 1.280590472e+02 2.478641643e+02 5.362928571e+01 9.177915291e+01 1.10 2.491032215e+02 1.901422363e+02 2.362967558e+02 2.479274615e+02 2.467517016e+02 -1.543310048e+00 1.206489219e+02 2.354929580e+02 4.993714607e+01 8.698222671e+01 1.12 2.369333013e+02 1.783086516e+02 2.237203973e+02 2.358083034e+02 2.346833055e+02 -1.835120139e+00 1.135112787e+02 2.234642526e+02 4.639272960e+01 8.228151979e+01 1.14 2.250897259e+02 1.670650738e+02 2.115920605e+02 2.240134179e+02 2.229371098e+02 -2.176545283e+00 1.066557327e+02 2.118045297e+02 4.300212434e+01 7.769493255e+01 1.16 2.135982181e+02 1.564030560e+02 1.999247011e+02 2.125686094e+02 2.115390007e+02 -2.552599425e+00 1.000883896e+02 2.005340850e+02 3.976920092e+01 7.323699303e+01 1.18 2.024786854e+02 1.463109816e+02 1.887262895e+02 2.014938639e+02 2.005090425e+02 -2.950487237e+00 9.381234543e+01 1.896677989e+02 3.669593862e+01 6.891925571e+01 1.20 1.917459279e+02 1.367746653e+02 1.780005037e+02 1.908040569e+02 1.898621860e+02 -3.359358441e+00 8.782813058e+01 1.792158290e+02 3.378271357e+01 6.475066077e+01 1.22 1.814102768e+02 1.277778779e+02 1.677473458e+02 1.805095922e+02 1.796089076e+02 -3.770085562e+00 8.213410293e+01 1.691842311e+02 3.102855313e+01 6.073785811e+01 1.24 1.714781678e+02 1.193028005e+02 1.579636907e+02 1.706169750e+02 1.697557822e+02 -4.175063948e+00 7.672679492e+01 1.595755156e+02 2.843135935e+01 5.688549779e+01 1.26 1.619526560e+02 1.113304197e+02 1.486437733e+02 1.611293276e+02 1.603059992e+02 -4.568031298e+00 7.160121978e+01 1.503891456e+02 2.598810544e+01 5.319649120e+01 1.28 1.528338790e+02 1.038408664e+02 1.397796200e+02 1.520468520e+02 1.512598250e+02 -4.943905157e+00 6.675114122e+01 1.416219815e+02 2.369500780e+01 4.967224524e+01 1.30 1.441194700e+02 9.681370851e+01 1.313614302e+02 1.433672434e+02 1.426150168e+02 -5.298637141e+00 6.216930977e+01 1.332686773e+02 2.154767617e+01 4.631287153e+01 1.32 1.358049282e+02 9.022819936e+01 1.233779131e+02 1.350860606e+02 1.343671930e+02 -5.629081764e+00 5.784767007e+01 1.253220334e+02 1.954124452e+01 4.311737379e+01 1.34 1.278839491e+02 8.406348973e+01 1.158165836e+02 1.271970564e+02 1.265101637e+02 -5.932878948e+00 5.377754160e+01 1.177733101e+02 1.767048468e+01 4.008381492e+01 1.36 1.203487183e+02 7.829880589e+01 1.086640220e+02 1.196924714e+02 1.190362245e+02 -6.208348964e+00 4.994977590e+01 1.106125047e+02 1.592990442e+01 3.720946552e+01 1.38 1.131901733e+02 7.291359887e+01 1.019061016e+02 1.125632961e+02 1.119364189e+02 -6.454398312e+00 4.635489300e+01 1.038285971e+02 1.431383212e+01 3.449093624e+01 1.40 1.063982349e+02 6.788766785e+01 9.552818665e+01 1.057995022e+02 1.052007695e+02 -6.670435914e+00 4.298319899e+01 9.740976585e+01 1.281648924e+01 3.192429496e+01 1.42 9.996201249e+01 6.320126119e+01 8.951530378e+01 9.939024798e+01 9.881848348e+01 -6.856298451e+00 3.982488707e+01 9.134357804e+01 1.143205204e+01 2.950517034e+01 1.44 9.386998498e+01 5.883515779e+01 8.385229115e+01 9.332405943e+01 9.277813387e+01 -7.012183902e+00 3.687012396e+01 8.561715594e+01 1.015470393e+01 2.722884344e+01 1.46 8.811015952e+01 5.477073131e+01 7.852392582e+01 8.758898886e+01 8.706781821e+01 -7.138592731e+00 3.410912306e+01 8.021732187e+01 8.978679420e+00 2.509032808e+01 1.48 8.267021096e+01 5.098999957e+01 7.351503300e+01 8.217275461e+01 8.167529826e+01 -7.236275773e+00 3.153220625e+01 7.513072444e+01 7.898300734e+00 2.308444137e+01 1.50 7.753760360e+01 4.747566112e+01 6.881057876e+01 7.706286271e+01 7.658812182e+01 -7.306188233e+00 2.912985535e+01 7.034394760e+01 6.908007987e+00 2.120586544e+01 1.52 7.269969665e+01 4.421112064e+01 6.439574792e+01 7.224671253e+01 7.179372840e+01 -7.349449264e+00 2.689275465e+01 6.584360438e+01 6.002383676e+00 1.944920089e+01 1.54 6.814383582e+01 4.118050500e+01 6.025600921e+01 6.771168833e+01 6.727954085e+01 -7.367306448e+00 2.481182555e+01 6.161641694e+01 5.176172263e+00 1.780901332e+01 1.56 6.385743183e+01 3.836867103e+01 5.637716874e+01 6.344523793e+01 6.303304403e+01 -7.361104757e+00 2.287825425e+01 5.764928458e+01 4.424295451e+00 1.627987329e+01 1.58 5.982802751e+01 3.576120661e+01 5.274541345e+01 5.943493977e+01 5.904185203e+01 -7.332259559e+00 2.108351335e+01 5.392934071e+01 3.741863695e+00 1.485639049e+01 1.60 5.604335470e+01 3.334442586e+01 4.934734566e+01 5.566855993e+01 5.529376516e+01 -7.282233153e+00 1.941937826e+01 5.044400037e+01 3.124184528e+00 1.353324285e+01 1.62 5.249138199e+01 3.110535954e+01 4.617000983e+01 5.213409990e+01 5.177681780e+01 -7.212514580e+00 1.787793895e+01 4.718099903e+01 2.566768063e+00 1.230520101e+01 1.64 4.916035425e+01 2.903174148e+01 4.320091241e+01 4.881983615e+01 4.847931805e+01 -7.124602278e+00 1.645160777e+01 4.412842396e+01 2.065330128e+00 1.116714875e+01 1.66 4.603882511e+01 2.711199179e+01 4.042803584e+01 4.571435269e+01 4.538988027e+01 -7.019989305e+00 1.513312384e+01 4.127473888e+01 1.615793373e+00 1.011409973e+01 1.68 4.311568283e+01 2.533519740e+01 3.783984738e+01 4.280656697e+01 4.249745110e+01 -6.900150860e+00 1.391555455e+01 3.860880271e+01 1.214286636e+00 9.141211117e+00 1.70 4.038017075e+01 2.369109063e+01 3.542530345e+01 4.008575035e+01 3.979132995e+01 -6.766533818e+00 1.279229450e+01 3.611988328e+01 8.571428805e-01 8.243794316e+00 1.72 3.782190255e+01 2.217002623e+01 3.317385018e+01 3.754154347e+01 3.726118439e+01 -6.620548075e+00 1.175706247e+01 3.379766644e+01 5.408959174e-01 7.417323222e+00 1.74 3.543087332e+01 2.076295714e+01 3.107542068e+01 3.516396728e+01 3.489706125e+01 -6.463559480e+00 1.080389645e+01 3.163226134e+01 2.622761349e-01 6.657440292e+00 1.76 3.319746667e+01 1.946140968e+01 2.912042957e+01 3.294343027e+01 3.268939387e+01 -6.296884175e+00 9.927147369e+00 2.961420232e+01 1.820542675e-02 5.959960700e+00 1.78 3.111245864e+01 1.825745817e+01 2.729976516e+01 3.087073234e+01 3.062900604e+01 -6.121784163e+00 9.121471549e+00 2.773444786e+01 -1.942085264e-01 5.320874819e+00 1.80 2.916701863e+01 1.714369932e+01 2.560477971e+01 2.893706583e+01 2.870711304e+01 -5.939463966e+00 8.381822188e+00 2.598437711e+01 -3.776784760e-01 4.736349264e+00 1.82 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1.94 1.879609434e+01 1.134897527e+01 1.662417405e+01 1.863527680e+01 1.847445926e+01 -4.549401575e+00 4.686933648e+00 1.672588349e+01 -1.044841784e+00 1.886825634e+00 1.96 1.769515313e+01 1.074467460e+01 1.567476221e+01 1.754254051e+01 1.738992790e+01 -4.345324601e+00 4.326177932e+00 1.575085993e+01 -1.075133759e+00 1.621435353e+00 1.98 1.667118582e+01 1.018336858e+01 1.479189692e+01 1.652641116e+01 1.638163650e+01 -4.142110324e+00 3.997729938e+00 1.484547075e+01 -1.093956579e+00 1.383714770e+00 2.00 1.571895168e+01 9.661551203e+00 1.397081089e+01 1.558166331e+01 1.544437494e+01 -3.940360347e+00 3.698948787e+00 1.400478346e+01 -1.102609755e+00 1.171450351e+00 2.02 1.483351232e+01 9.175988444e+00 1.320704069e+01 1.470337327e+01 1.457323421e+01 -3.740622685e+00 3.427376235e+00 1.322416618e+01 -1.102289167e+00 9.825649909e-01 2.04 1.401021955e+01 8.723700177e+00 1.249641164e+01 1.388690694e+01 1.376359433e+01 -3.543393921e+00 3.180726763e+00 1.249927421e+01 -1.094093309e+00 8.151124370e-01 2.06 1.324470326e+01 8.301942999e+00 1.183502303e+01 1.312790776e+01 1.301111227e+01 -3.349121441e+00 2.956877949e+00 1.182603677e+01 -1.079029296e+00 6.672716729e-01 2.08 1.253285927e+01 7.908193941e+00 1.121923374e+01 1.242228456e+01 1.231170985e+01 -3.158205743e+00 2.753861160e+00 1.120064395e+01 -1.058018654e+00 5.373413116e-01 2.10 1.187083733e+01 7.540135027e+00 1.064564821e+01 1.176619955e+01 1.166156177e+01 -2.971002777e+00 2.569852571e+00 1.061953379e+01 -1.031902857e+00 4.237340139e-01 2.12 1.125502919e+01 7.195638685e+00 1.011110293e+01 1.115605647e+01 1.105708374e+01 -2.787826305e+00 2.403164524e+00 1.007937972e+01 -1.001448630e+00 3.249709792e-01 2.14 1.068205695e+01 6.872753980e+00 9.612653297e+00 1.058848889e+01 1.049492082e+01 -2.608950254e+00 2.252237237e+00 9.577078250e+00 -9.673529996e-01 2.396765214e-01 2.16 1.014876155e+01 6.569693640e+00 9.147561022e+00 1.006034880e+01 9.971936045e+00 -2.434611055e+00 2.115630857e+00 9.109737033e+00 -9.302481136e-01 1.665727512e-01 2.18 9.652191654e+00 6.284821859e+00 8.713282003e+00 9.568695443e+00 9.485199231e+00 -2.265009938e+00 1.992017880e+00 8.674663295e+00 -8.907058062e-01 1.044743910e-01 2.20 9.189592735e+00 6.016642845e+00 8.307454691e+00 9.110784453e+00 9.031976171e+00 -2.100315198e+00 1.880175907e+00 8.269352638e+00 -8.492419346e-01 5.228372394e-02 2.22 8.758396529e+00 5.763790073e+00 7.927888954e+00 8.684057311e+00 8.609718093e+00 -1.940664394e+00 1.778980754e+00 7.891478240e+00 -8.063204803e-01 8.985694865e-03 2.24 8.356210820e+00 5.525016236e+00 7.572555449e+00 8.286131156e+00 8.216051491e+00 -1.786166492e+00 1.687399911e+00 7.538880486e+00 -7.623574231e-01 -2.635682485e-02 2.26 7.980809584e+00 5.299183834e+00 7.239575475e+00 7.914788934e+00 7.848768283e+00 -1.636903937e+00 1.604486324e+00 7.209556987e+00 -7.177243960e-01 -5.460761215e-02 2.28 7.630123483e+00 5.085256404e+00 6.927211322e+00 7.567969916e+00 7.505816349e+00 -1.492934656e+00 1.529372513e+00 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