# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-2 # implementation = 2015--Borovikov-V--fictional-Cu-2--LAMMPS--ipr1 # composition = Cu # 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 1.452520435e+05 nan 0.78 nan nan nan nan nan nan nan nan 1.253210490e+05 nan 0.80 nan nan nan nan nan nan nan nan 1.073421568e+05 nan 0.82 nan nan nan nan nan 6.345597329e+04 nan nan 9.108302683e+04 nan 0.84 nan nan nan nan nan 5.066842435e+04 nan nan 7.634316300e+04 nan 0.86 nan nan nan nan nan 3.905000653e+04 nan nan 6.294950282e+04 nan 0.88 nan nan nan nan nan 2.896257173e+04 nan nan 5.075203242e+04 nan 0.90 nan nan nan nan nan 2.151706131e+04 nan nan 3.962049615e+04 nan 0.92 nan nan nan 1.625016526e+05 1.625026659e+05 1.606939816e+04 nan nan 2.979877206e+04 7.968619117e+04 0.94 nan 6.710674103e+04 nan 1.447994616e+05 1.448002524e+05 1.206193027e+04 6.980023214e+04 nan 2.240541555e+04 6.719438364e+04 0.96 nan 5.563957832e+04 nan 1.285476744e+05 1.285480563e+05 9.098582954e+03 5.817015218e+04 nan 1.692398658e+04 5.572737616e+04 0.98 nan 4.509421585e+04 nan 1.136011854e+05 1.136011765e+05 6.896361672e+03 4.747556820e+04 nan 1.284001965e+04 4.518220527e+04 1.00 nan 3.538015821e+04 nan 9.983209174e+04 9.983187918e+04 5.251908685e+03 3.762433018e+04 nan 9.783013651e+03 3.546820267e+04 1.02 nan 2.721803238e+04 nan 8.712678848e+04 8.712654888e+04 4.018196369e+03 2.900456562e+04 nan 7.484458203e+03 2.729453129e+04 1.04 nan 2.101894203e+04 5.944540055e+04 7.538423000e+04 7.538403238e+04 3.088505359e+03 2.241026247e+04 6.419237465e+04 5.748746577e+03 2.108550587e+04 1.06 6.451440982e+04 1.629104288e+04 4.946683070e+04 6.451502038e+04 6.451489847e+04 2.385104017e+03 1.737892185e+04 5.394852913e+04 4.432754356e+03 1.634936784e+04 1.08 5.443896614e+04 1.267074005e+04 4.021832556e+04 5.443973340e+04 5.443970688e+04 1.850873113e+03 1.352466031e+04 4.445357221e+04 3.431065444e+03 1.272226662e+04 1.10 4.508708092e+04 9.888102295e+03 3.177223274e+04 4.508754165e+04 4.508757872e+04 1.443419835e+03 1.056080507e+04 3.564053404e+04 2.665686629e+03 9.933837035e+03 1.12 3.639512658e+04 7.741441699e+03 2.501577758e+04 3.639508320e+04 3.639516561e+04 1.131360588e+03 8.273317939e+03 2.807662919e+04 2.078687180e+03 7.782296271e+03 1.14 2.880506628e+04 6.079597849e+03 1.975835612e+04 2.880475074e+04 2.880487397e+04 8.913691948e+02 6.501662848e+03 2.218708002e+04 1.626891686e+03 6.116327142e+03 1.16 2.285871784e+04 4.788679260e+03 1.565305999e+04 2.285848011e+04 2.285866618e+04 7.060237496e+02 5.124893956e+03 1.758624159e+04 1.277908768e+03 4.821942455e+03 1.18 1.819327437e+04 3.782641588e+03 1.243668064e+04 1.819323877e+04 1.819346300e+04 5.622645151e+02 4.051507577e+03 1.398024351e+04 1.007384446e+03 3.813067082e+03 1.20 1.452105245e+04 2.996144324e+03 9.908650597e+03 1.452120821e+04 1.452143333e+04 4.502705080e+02 3.212017343e+03 1.114485883e+04 7.969539973e+02 3.024269046e+03 1.22 1.162156641e+04 2.379408884e+03 7.915553744e+03 1.162182874e+04 1.162202539e+04 3.626291330e+02 2.553479628e+03 8.908492294e+03 6.327219453e+02 2.405643657e+03 1.24 9.325317950e+03 1.894388329e+03 6.339630302e+03 9.325589908e+03 9.325746466e+03 2.937955359e+02 2.035441645e+03 7.139316901e+03 5.041558999e+02 1.919007811e+03 1.26 7.501539075e+03 1.511891513e+03 5.090129331e+03 7.501768077e+03 7.501892646e+03 2.395780824e+02 1.626807651e+03 5.735709974e+03 4.032440795e+02 1.535045630e+03 1.28 6.049010183e+03 1.209421258e+03 4.096698545e+03 6.049167179e+03 6.049264168e+03 1.966140457e+02 1.303567499e+03 4.619068903e+03 3.237585482e+02 1.231201648e+03 1.30 4.889060003e+03 9.695906401e+02 3.304755123e+03 4.889150619e+03 4.889224723e+03 1.623499136e+02 1.047165641e+03 3.728373681e+03 2.609220434e+02 9.900844848e+02 1.32 3.960357473e+03 7.789376532e+02 2.671804766e+03 3.960408155e+03 3.960466312e+03 1.348450859e+02 8.432299275e+02 3.016092270e+03 2.110645720e+02 7.982378072e+02 1.34 3.214954692e+03 6.270099760e+02 2.164673133e+03 3.214991446e+03 3.215038874e+03 1.126234429e+02 6.805938987e+02 2.445087488e+03 1.713571420e+02 6.452015354e+02 1.36 2.615250504e+03 5.056573974e+02 1.757378879e+03 2.615283568e+03 2.615321003e+03 9.455402917e+01 5.505599049e+02 1.986273265e+03 1.396662310e+02 5.228163599e+02 1.38 2.131658255e+03 4.085007554e+02 1.429515333e+03 2.131684135e+03 2.131709586e+03 7.976500340e+01 4.463623740e+02 1.616756826e+03 1.142981419e+02 4.246942869e+02 1.40 1.740828307e+03 3.305346405e+02 1.165009314e+03 1.740838841e+03 1.740851224e+03 6.758337142e+01 3.627364620e+02 1.318485713e+03 9.389468540e+01 3.458213659e+02 1.42 1.424284091e+03 2.678266189e+02 9.511684234e+02 1.424277031e+03 1.424278783e+03 5.748863508e+01 2.954475496e+02 1.077194243e+03 7.740389991e+01 2.822649972e+02 1.44 1.167414535e+03 2.172844921e+02 7.779327600e+02 1.167397604e+03 1.167394246e+03 4.907429845e+01 2.411575842e+02 8.816173288e+02 6.400911569e+01 2.310296565e+02 1.46 9.585398289e+02 1.764694734e+02 6.373014173e+02 9.585232529e+02 9.585198969e+02 4.201677247e+01 1.972340829e+02 7.227686050e+02 5.307216203e+01 1.896301052e+02 1.48 7.883363554e+02 1.434460112e+02 5.229021971e+02 7.883260714e+02 7.883253114e+02 3.606009433e+01 1.615996973e+02 5.934815297e+02 4.409430566e+01 1.560681805e+02 1.50 6.493602734e+02 1.166720253e+02 4.296522167e+02 6.493586980e+02 6.493608232e+02 3.100339778e+01 1.326131340e+02 4.880403794e+02 3.668734729e+01 1.287676479e+02 1.52 5.356582904e+02 9.491990478e+01 3.534865935e+02 5.356655219e+02 5.356691438e+02 2.668547034e+01 1.089747944e+02 4.018780930e+02 3.054803155e+01 1.064832762e+02 1.54 4.424608874e+02 7.721226506e+01 2.911493380e+02 4.424738517e+02 4.424771847e+02 2.297619414e+01 8.965135179e+01 3.313374817e+02 2.543633405e+01 8.823117351e+01 1.56 3.659340544e+02 6.276940897e+01 2.400297499e+02 3.659485647e+02 3.659510247e+02 1.977135754e+01 7.381799908e+01 2.734806390e+02 2.116071640e+01 7.322938804e+01 1.58 3.029845133e+02 5.097009398e+01 1.980329550e+02 3.029983675e+02 3.030010976e+02 1.698839230e+01 6.081530894e+01 2.259414356e+02 1.756806911e+01 6.085346122e+01 1.60 2.511110966e+02 4.131687069e+01 1.634756045e+02 2.511238045e+02 2.511281226e+02 1.456270217e+01 5.011244893e+01 1.868105992e+02 1.453644728e+01 5.060620930e+01 1.62 2.082914277e+02 3.340855350e+01 1.350022122e+02 2.083017822e+02 2.083078031e+02 1.244428628e+01 4.130338188e+01 1.545474273e+02 1.196881278e+01 4.209361078e+01 1.64 1.728884188e+02 2.692495875e+01 1.115142509e+02 1.728939132e+02 1.729003370e+02 1.059237113e+01 3.404835136e+01 1.279049546e+02 9.796116634e+00 3.500053281e+01 1.66 1.435719596e+02 2.164401249e+01 9.211476733e+01 1.435701966e+02 1.435751079e+02 8.970892998e+00 2.804885036e+01 1.058692734e+02 7.970661808e+00 2.907130999e+01 1.68 1.192585505e+02 1.733598805e+01 7.606991357e+01 1.192486563e+02 1.192502715e+02 7.547641904e+00 2.306644390e+01 8.761461319e+01 6.427714973e+00 2.409836757e+01 1.70 9.906343001e+01 1.380383161e+01 6.277996779e+01 9.904669494e+01 9.904377976e+01 6.294996658e+00 1.891081488e+01 7.246746124e+01 5.114307832e+00 1.991362292e+01 1.72 8.226319736e+01 1.089285891e+01 5.175681589e+01 8.224194929e+01 8.223390762e+01 5.191107981e+00 1.542996466e+01 5.987842520e+01 3.988023863e+00 1.638168389e+01 1.74 6.826528931e+01 8.481692579e+00 4.260776551e+01 6.824231056e+01 6.822950529e+01 4.218027805e+00 1.250224434e+01 4.939922033e+01 3.015890040e+00 1.339248904e+01 1.76 5.658335108e+01 6.475493444e+00 3.504411261e+01 5.656193785e+01 5.654596442e+01 3.359441358e+00 1.003036335e+01 4.066453854e+01 2.172840192e+00 1.085570412e+01 1.78 4.681852192e+01 4.801355616e+00 2.878298571e+01 4.680234386e+01 4.678572332e+01 2.600409287e+00 7.936519617e+00 3.337667078e+01 1.439808028e+00 8.697491148e+00 1.80 3.864474757e+01 3.411980834e+00 2.358316989e+01 3.863711573e+01 3.862255138e+01 1.927722572e+00 6.158229462e+00 2.729171309e+01 8.024043854e-01 6.857799294e+00 1.82 3.179690690e+01 2.294620045e+00 1.924952641e+01 3.179909453e+01 3.178862284e+01 1.330236853e+00 4.644823067e+00 2.220909304e+01 2.493944742e-01 5.287763262e+00 1.84 2.605978068e+01 1.393131037e+00 1.562490822e+01 2.606975962e+01 2.606413855e+01 7.988167552e-01 3.354990616e+00 1.796189486e+01 -2.291755815e-01 3.947210632e+00 1.86 2.125371573e+01 6.577628830e-01 1.258354476e+01 2.126761397e+01 2.126670974e+01 3.259997123e-01 2.254866374e+00 1.440981710e+01 -6.428510117e-01 2.802841184e+00 1.88 1.722631756e+01 4.988300242e-02 1.002562495e+01 1.724065090e+01 1.724425774e+01 -9.430289382e-02 1.316559387e+00 1.143547249e+01 -1.000247999e+00 1.826813123e+00 1.90 1.384883438e+01 -4.599658572e-01 7.870805519e+00 1.386148859e+01 1.386953146e+01 -4.669007369e-01 5.213812691e-01 8.941411143e+00 -1.309001751e+00 9.954913401e-01 1.92 1.101288795e+01 -8.937583894e-01 6.053391264e+00 1.102338672e+01 1.103567581e+01 -7.953499471e-01 -1.416617894e-01 6.847116182e+00 -1.576015752e+00 2.883416039e-01 1.94 8.627705186e+00 -1.267504487e+00 4.519400605e+00 8.637083009e+00 8.653157962e+00 -1.082540167e+00 -6.946916800e-01 5.086459114e+00 -1.807431017e+00 -3.126229590e-01 1.96 6.618020932e+00 -1.592697364e+00 3.222686565e+00 6.627814795e+00 6.646807174e+00 -1.331946417e+00 -1.156716242e+00 3.635820806e+00 -2.008314467e+00 -8.226389470e-01 1.98 4.922240816e+00 -1.877659831e+00 2.123868281e+00 4.933519073e+00 4.954141310e+00 -1.547527563e+00 -1.543694599e+00 2.463740658e+00 -2.182407878e+00 -1.253720796e+00 2.00 3.490174321e+00 -2.128507473e+00 1.189868789e+00 3.503119359e+00 3.523839876e+00 -1.733355190e+00 -1.868815631e+00 1.510114964e+00 -2.332336151e+00 -1.615789105e+00 2.02 2.325399211e+00 -2.344220166e+00 4.231363671e-01 2.339531674e+00 2.358946605e+00 -1.878397539e+00 -2.127794557e+00 7.430559033e-01 -2.448899761e+00 -1.895880414e+00 2.04 1.411877915e+00 -2.525981174e+00 -1.866572950e-01 1.426609958e+00 1.443897260e+00 -1.979952058e+00 -2.322984671e+00 1.323846828e-01 -2.529392823e+00 -2.094140206e+00 2.06 6.889327375e-01 -2.680292960e+00 -6.789520459e-01 7.037270890e-01 7.186230019e-01 -2.051123491e+00 -2.471586454e+00 -3.604028140e-01 -2.583540938e+00 -2.235191364e+00 2.08 1.094979880e-01 -2.811792915e+00 -1.083288638e+00 1.238079316e-01 1.363341230e-01 -2.100830489e+00 -2.586186262e+00 -7.646776507e-01 -2.618565111e+00 -2.338081231e+00 2.10 -3.624422929e-01 -2.923815695e+00 -1.421047029e+00 -3.492041065e-01 -3.389200297e-01 -2.135192402e+00 -2.675601696e+00 -1.102784388e+00 -2.639978325e+00 -2.416874041e+00 2.12 -7.539481936e-01 -3.018529966e+00 -1.707467307e+00 -7.424354146e-01 -7.342852789e-01 -2.158904321e+00 -2.745882480e+00 -1.391305436e+00 -2.651815996e+00 -2.481230235e+00 2.14 -1.084786150e+00 -3.097760897e+00 -1.953477455e+00 -1.075709161e+00 -1.069718315e+00 -2.175843008e+00 -2.801568352e+00 -1.642011340e+00 -2.656546249e+00 -2.536979369e+00 2.16 -1.368676734e+00 -3.163240648e+00 -2.166911851e+00 -1.362841740e+00 -1.359318055e+00 -2.189102380e+00 -2.846115496e+00 -1.862707662e+00 -2.655218172e+00 -2.586608729e+00 2.18 -1.615033354e+00 -3.216466991e+00 -2.353333321e+00 -1.613283413e+00 -1.612832286e+00 -2.200592222e+00 -2.881999454e+00 -2.058683978e+00 -2.648522130e+00 -2.630469966e+00 2.20 -1.831296471e+00 -3.258926360e+00 -2.516710447e+00 -1.834167793e+00 -1.837367989e+00 -2.211197307e+00 -2.910758401e+00 -2.233985165e+00 -2.637337593e+00 -2.668794240e+00 2.22 -2.023420994e+00 -3.292065496e+00 -2.659939804e+00 -2.030945916e+00 -2.038099689e+00 -2.221116322e+00 -2.933344845e+00 -2.391744105e+00 -2.622940075e+00 -2.701989385e+00 2.24 -2.195925558e+00 -3.317217895e+00 -2.785217779e+00 -2.207662122e+00 -2.218691988e+00 -2.230144645e+00 -2.950534067e+00 -2.534310083e+00 -2.606747588e+00 -2.730537398e+00 2.26 -2.352046341e+00 -3.335582828e+00 -2.894285867e+00 -2.367220115e+00 -2.381662916e+00 -2.237971557e+00 -2.963080354e+00 -2.663465515e+00 -2.589722202e+00 -2.754937924e+00 2.28 -2.494078673e+00 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