# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--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 1.401911649e+02 nan 0.68 nan nan nan nan nan nan nan nan 1.326365982e+02 nan 0.70 nan nan nan nan nan 1.064793545e+02 nan nan 1.266544331e+02 nan 0.72 nan nan nan nan nan 9.681349680e+01 nan nan 1.217099187e+02 nan 0.74 nan nan nan nan nan 8.895698428e+01 nan nan 1.174048381e+02 nan 0.76 nan nan nan nan nan 8.253855996e+01 nan nan 1.134758866e+02 nan 0.78 nan nan nan nan nan 7.727598940e+01 nan nan 1.097501561e+02 nan 0.80 nan 1.279428057e+02 nan 1.170101407e+02 1.169748142e+02 7.291263257e+01 nan nan 1.060972036e+02 1.203967091e+02 0.82 nan 1.288222342e+02 nan 1.191598804e+02 1.191269605e+02 6.925561186e+01 1.239876672e+02 nan 1.024398901e+02 1.186046029e+02 0.84 nan 1.289400363e+02 nan 1.216940765e+02 1.216644224e+02 6.613807502e+01 1.229121954e+02 nan 9.873788162e+01 1.167274121e+02 0.86 nan 1.282695181e+02 nan 1.242365811e+02 1.242126838e+02 6.339665703e+01 1.214029876e+02 nan 9.497159852e+01 1.146539707e+02 0.88 nan 1.268178912e+02 nan 1.264907423e+02 1.264744005e+02 6.094477079e+01 1.194361782e+02 nan 9.113339744e+01 1.123286513e+02 0.90 nan 1.246254093e+02 nan 1.282606777e+02 1.282476657e+02 5.870395087e+01 1.169983577e+02 1.293688025e+02 8.723952270e+01 1.097460284e+02 0.92 1.294360188e+02 1.217762456e+02 1.306898613e+02 1.294275811e+02 1.294141536e+02 5.660313150e+01 1.141339944e+02 1.299286428e+02 8.331034054e+01 1.068873494e+02 0.94 1.299478436e+02 1.183424687e+02 1.300945274e+02 1.299319023e+02 1.299217148e+02 5.459707862e+01 1.108785569e+02 1.297700860e+02 7.936197851e+01 1.037538856e+02 0.96 1.297582126e+02 1.144147130e+02 1.287718188e+02 1.297439610e+02 1.297356302e+02 5.264066384e+01 1.072835448e+02 1.288977966e+02 7.541929237e+01 1.003962890e+02 0.98 1.288775538e+02 1.100917232e+02 1.267991287e+02 1.288668003e+02 1.288617447e+02 5.071377639e+01 1.034035878e+02 1.273441772e+02 7.150209862e+01 9.682902298e+01 1.00 1.273428674e+02 1.054492550e+02 1.242248024e+02 1.273414717e+02 1.273404579e+02 4.880258805e+01 9.929822218e+01 1.251620772e+02 6.763099245e+01 9.308990233e+01 1.02 1.252063861e+02 1.005789055e+02 1.211180690e+02 1.252180784e+02 1.252211410e+02 4.689113068e+01 9.501156362e+01 1.224246670e+02 6.382500973e+01 8.922610754e+01 1.04 1.225329339e+02 9.555051757e+01 1.175625100e+02 1.225445830e+02 1.225488120e+02 4.498046372e+01 9.060150136e+01 1.191981134e+02 6.010062062e+01 8.527836726e+01 1.06 1.193828659e+02 9.044627406e+01 1.136167869e+02 1.193903799e+02 1.193966617e+02 4.307338677e+01 8.612704775e+01 1.155487376e+02 5.647415337e+01 8.128239304e+01 1.08 1.158291316e+02 8.531917004e+01 1.093724984e+02 1.158309751e+02 1.158356736e+02 4.117213361e+01 8.163297665e+01 1.115528469e+02 5.295922101e+01 7.726604495e+01 1.10 1.119294511e+02 8.021944052e+01 1.048999668e+02 1.119294202e+02 1.119322181e+02 3.928190919e+01 7.715791124e+01 1.072804302e+02 4.956610247e+01 7.324998360e+01 1.12 1.077611504e+02 7.519676850e+01 1.002590041e+02 1.077593634e+02 1.077618351e+02 3.740686249e+01 7.273373978e+01 1.027982730e+02 4.630322796e+01 6.927294605e+01 1.14 1.033839199e+02 7.028209664e+01 9.549581891e+01 1.033823190e+02 1.033856937e+02 3.554708772e+01 6.838679261e+01 9.816424628e+01 4.317421763e+01 6.535930790e+01 1.16 9.884737094e+01 6.551286154e+01 9.067292710e+01 9.885266316e+01 9.885744074e+01 3.370879489e+01 6.414671665e+01 9.343584231e+01 4.018781367e+01 6.152772034e+01 1.18 9.421719522e+01 6.091663428e+01 8.584488245e+01 9.422628569e+01 9.423165924e+01 3.190667370e+01 6.003503642e+01 8.866835848e+01 3.734930255e+01 5.779376391e+01 1.20 8.954454619e+01 5.650456204e+01 8.105207976e+01 8.955164812e+01 8.955741420e+01 3.015065421e+01 5.606303584e+01 8.390339506e+01 3.465782059e+01 5.417613270e+01 1.22 8.486041560e+01 5.228804872e+01 7.631676594e+01 8.487085847e+01 8.487855263e+01 2.843882011e+01 5.224535232e+01 7.918150818e+01 3.211297481e+01 5.067559211e+01 1.24 8.021625589e+01 4.828387714e+01 7.168642446e+01 8.022707133e+01 8.023629674e+01 2.678309770e+01 4.858666874e+01 7.453721150e+01 2.971361319e+01 4.731564085e+01 1.26 7.564081987e+01 4.449406871e+01 6.718294436e+01 7.565092040e+01 7.565970928e+01 2.518560573e+01 4.509611074e+01 7.000045138e+01 2.745247510e+01 4.410082096e+01 1.28 7.116223857e+01 4.091381969e+01 6.282723000e+01 7.116823777e+01 7.117510487e+01 2.365146035e+01 4.178078144e+01 6.559016215e+01 2.533069149e+01 4.103635078e+01 1.30 6.679220922e+01 3.755010169e+01 5.863129464e+01 6.679943720e+01 6.680546254e+01 2.218281462e+01 3.864404681e+01 6.132309331e+01 2.334467474e+01 3.812404778e+01 1.32 6.256173430e+01 3.440113469e+01 5.460104097e+01 6.256603153e+01 6.257034616e+01 2.077913786e+01 3.568553399e+01 5.721680380e+01 2.148982820e+01 3.536424580e+01 1.34 5.848430077e+01 3.146145176e+01 5.075106150e+01 5.848539308e+01 5.848824101e+01 1.944258537e+01 3.289965482e+01 5.327957660e+01 1.975913097e+01 3.274530678e+01 1.36 5.457011092e+01 2.872026529e+01 4.708701047e+01 5.456559636e+01 5.456718492e+01 1.817326372e+01 3.028414308e+01 4.951841540e+01 1.814914604e+01 3.027601369e+01 1.38 5.081965620e+01 2.616746797e+01 4.360791466e+01 5.081439318e+01 5.081546368e+01 1.696786843e+01 2.783496275e+01 4.593619608e+01 1.665610001e+01 2.795284196e+01 1.40 4.723426044e+01 2.380196945e+01 4.031911100e+01 4.723492621e+01 4.723647406e+01 1.583099676e+01 2.554574847e+01 4.253568100e+01 1.527071601e+01 2.577065328e+01 1.42 4.382925911e+01 2.161572816e+01 3.721867422e+01 4.383328432e+01 4.383520798e+01 1.467975598e+01 2.341229376e+01 3.932127974e+01 1.398906695e+01 2.372915602e+01 1.44 4.060139850e+01 1.959823954e+01 3.429911029e+01 4.060855122e+01 4.061159723e+01 1.360673390e+01 2.142616899e+01 3.628939073e+01 1.274239020e+01 2.182205827e+01 1.46 3.755054189e+01 1.774042678e+01 3.155123701e+01 3.755913246e+01 3.756291819e+01 1.255518856e+01 1.957780544e+01 3.343870092e+01 1.161204792e+01 2.004431762e+01 1.48 3.467663420e+01 1.603009215e+01 2.897547314e+01 3.468380534e+01 3.468756156e+01 1.153225644e+01 1.786675406e+01 3.076214043e+01 1.053091422e+01 1.839113909e+01 1.50 3.197343123e+01 1.445836045e+01 2.657119568e+01 3.197948551e+01 3.198346709e+01 1.054537418e+01 1.628566744e+01 2.825581410e+01 9.502573726e+00 1.685442491e+01 1.52 2.943518877e+01 1.301957839e+01 2.433073184e+01 2.944142361e+01 2.944599547e+01 9.597621006e+00 1.482724792e+01 2.591483230e+01 8.527311712e+00 1.542737906e+01 1.54 2.706014949e+01 1.169063780e+01 2.224535492e+01 2.706614535e+01 2.707119857e+01 8.690567379e+00 1.348423026e+01 2.373368966e+01 7.603570972e+00 1.410787119e+01 1.56 2.484209846e+01 1.043318753e+01 2.030991953e+01 2.484518691e+01 2.485063029e+01 7.828080920e+00 1.218727593e+01 2.170397521e+01 6.731298857e+00 1.282946155e+01 1.58 2.277049911e+01 9.298557219e+00 1.851673468e+01 2.277307361e+01 2.277883089e+01 7.011111691e+00 1.103149174e+01 1.981666391e+01 5.910721151e+00 1.168216113e+01 1.60 2.084175479e+01 8.237577938e+00 1.685812071e+01 2.084346621e+01 2.084838883e+01 6.239956210e+00 9.940467672e+00 1.806708102e+01 5.141041092e+00 1.059259110e+01 1.62 1.905039022e+01 7.243987810e+00 1.532648260e+01 1.904981408e+01 1.905246566e+01 5.514362736e+00 8.908703232e+00 1.644702268e+01 4.421506827e+00 9.561143475e+00 1.64 1.738933258e+01 6.315531958e+00 1.391436949e+01 1.738678303e+01 1.738746876e+01 4.833631425e+00 7.937804094e+00 1.495098537e+01 3.750472229e+00 8.586532458e+00 1.66 1.584760734e+01 5.449643764e+00 1.261101708e+01 1.584532720e+01 1.584496884e+01 4.195405250e+00 7.025652698e+00 1.356837261e+01 3.125961550e+00 7.664410001e+00 1.68 1.441910041e+01 4.643600377e+00 1.134980815e+01 1.441888679e+01 1.441823446e+01 3.598659869e+00 6.168601994e+00 1.229457585e+01 2.545475669e+00 6.794018332e+00 1.70 1.310112356e+01 3.894890160e+00 1.023250574e+01 1.310269395e+01 1.310178445e+01 3.043201650e+00 5.365879361e+00 1.106187246e+01 2.007924601e+00 5.976755951e+00 1.72 1.188695109e+01 3.200348790e+00 9.182738560e+00 1.188938103e+01 1.188824574e+01 2.527287822e+00 4.614524652e+00 9.964726948e+00 1.510703339e+00 5.210715270e+00 1.74 1.070315223e+01 2.556948605e+00 8.197228214e+00 1.070455204e+01 1.070325629e+01 2.049091069e+00 3.912690809e+00 8.934088203e+00 1.051979103e+00 4.493926491e+00 1.76 9.646374652e+00 1.960812680e+00 7.270563447e+00 9.647194472e+00 9.646076719e+00 1.604989395e+00 3.257502814e+00 7.966329989e+00 6.300815884e-01 3.823382111e+00 1.78 8.652264026e+00 1.409392661e+00 6.400269626e+00 8.652867051e+00 8.652177483e+00 1.195970178e+00 2.648580851e+00 7.058433799e+00 2.429424824e-01 3.197263567e+00 1.80 7.718423526e+00 9.010818816e-01 5.585877259e+00 7.718837335e+00 7.718505694e+00 8.198463201e-01 2.083556875e+00 6.207826040e+00 -1.114608536e-01 2.614565978e+00 1.82 6.841918801e+00 4.321787507e-01 4.824518587e+00 6.842167197e+00 6.842132947e+00 4.739249151e-01 1.559970388e+00 5.408872342e+00 -4.343970547e-01 2.073195634e+00 1.84 6.019934411e+00 6.967837903e-04 4.113450560e+00 6.019396393e+00 6.019607615e+00 1.564143868e-01 1.075325322e+00 4.661782768e+00 -7.265028894e-01 1.571085002e+00 1.86 5.249768624e+00 -3.970705446e-01 3.450049011e+00 5.248177912e+00 5.248590317e+00 -1.344226705e-01 6.279488948e-01 3.961750773e+00 -9.926062453e-01 1.106203922e+00 1.88 4.525167829e+00 -7.607112241e-01 2.831803600e+00 4.524059828e+00 4.525093477e+00 -4.002610111e-01 2.157366445e-01 3.306647745e+00 -1.234815009e+00 6.765689967e-01 1.90 3.843810363e+00 -1.092402659e+00 2.256313407e+00 3.844634371e+00 3.846694565e+00 -6.427069197e-01 -1.633355352e-01 2.696240173e+00 -1.453433202e+00 2.802512554e-01 1.92 3.207909005e+00 -1.394200843e+00 1.720751516e+00 3.210230299e+00 3.213013560e+00 -8.632945300e-01 -5.112073623e-01 2.128386951e+00 -1.650340123e+00 -8.461782553e-02 1.94 2.615013837e+00 -1.668046414e+00 1.220599600e+00 2.617834547e+00 2.620455739e+00 -1.063483842e+00 -8.301932581e-01 1.600728352e+00 -1.827221380e+00 -4.198417767e-01 1.96 2.062792978e+00 -1.915770437e+00 7.571024559e-01 2.066028411e+00 2.068500148e+00 -1.244661415e+00 -1.121869990e+00 1.111020753e+00 -1.984955825e+00 -7.271559033e-01 1.98 1.549027311e+00 -2.138260914e+00 3.260075776e-01 1.552038975e+00 1.554373173e+00 -1.409203285e+00 -1.388391315e+00 6.571314257e-01 -2.124906392e+00 -1.008225192e+00 2.00 1.071605456e+00 -2.335867210e+00 -7.325678941e-02 1.074133897e+00 1.076341713e+00 -1.556767849e+00 -1.629095712e+00 2.359487377e-01 -2.248358999e+00 -1.262729655e+00 2.02 6.285345268e-01 -2.512578679e+00 -4.413808520e-01 6.306343503e-01 6.327261966e-01 -1.688469857e+00 -1.845476416e+00 -1.532212426e-01 -2.356526395e+00 -1.493171707e+00 2.04 2.168356232e-01 -2.669793827e+00 -7.802032925e-01 2.188212263e-01 2.208068294e-01 -1.805964166e+00 -2.040797036e+00 -5.122288822e-01 -2.450844925e+00 -1.705216259e+00 2.06 -1.641439471e-01 -2.808833171e+00 -1.091465200e+00 -1.622555773e-01 -1.603672074e-01 -1.910281446e+00 -2.216411839e+00 -8.428293599e-01 -2.531220455e+00 -1.896994422e+00 2.08 -5.161188300e-01 -2.930943465e+00 -1.376815071e+00 -5.143427334e-01 -5.125666369e-01 -2.002388464e+00 -2.373606416e+00 -1.146687235e+00 -2.600176494e+00 -2.069734447e+00 2.10 -8.407470934e-01 -3.037301070e+00 -1.637813536e+00 -8.398009251e-01 -8.388547569e-01 -2.083190947e+00 -2.513599639e+00 -1.425442743e+00 -2.657990049e+00 -2.224685268e+00 2.12 -1.139602528e+00 -3.129364530e+00 -1.875937844e+00 -1.139386662e+00 -1.139170796e+00 -2.153536497e+00 -2.637545784e+00 -1.681431523e+00 -2.705643434e+00 -2.363029791e+00 2.14 -1.414178663e+00 -3.208178875e+00 -2.092581544e+00 -1.414606831e+00 -1.415034999e+00 -2.214212192e+00 -2.746536801e+00 -1.915058694e+00 -2.744558998e+00 -2.485887096e+00 2.16 -1.665892601e+00 -3.274304615e+00 -2.288581429e+00 -1.666890133e+00 -1.667887665e+00 -2.266673414e+00 -2.841905466e+00 -2.127683237e+00 -2.774746933e+00 -2.594314765e+00 2.18 -1.896088672e+00 -3.330143340e+00 -2.464118123e+00 -1.897590961e+00 -1.899093250e+00 -2.310979846e+00 -2.924961786e+00 -2.319284512e+00 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