# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoFe # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan 1.747869049e+05 1.747869049e+05 nan nan 0.90 nan nan nan nan 1.333927423e+05 1.333927423e+05 nan nan 0.92 nan nan nan nan 1.023998238e+05 1.023998238e+05 nan nan 0.94 nan nan nan nan 7.904899445e+04 7.904899445e+04 nan nan 0.96 nan nan nan nan 6.135032098e+04 6.135032098e+04 nan nan 0.98 nan nan nan nan 4.785861280e+04 4.785861280e+04 nan nan 1.00 5.758064529e+04 5.758064529e+04 nan nan 3.751727256e+04 3.751727256e+04 nan nan 1.02 4.534730679e+04 4.534730679e+04 nan nan 2.954885123e+04 2.954885123e+04 nan nan 1.04 3.587368979e+04 3.587368979e+04 nan nan 2.337777548e+04 2.337777548e+04 nan nan 1.06 2.850160318e+04 2.850160318e+04 nan nan 1.857541039e+04 1.857541039e+04 nan nan 1.08 2.273810671e+04 2.273810671e+04 nan nan 1.482073343e+04 1.482073343e+04 nan nan 1.10 1.821200736e+04 1.821200736e+04 nan nan 1.187200491e+04 1.187200491e+04 nan nan 1.12 1.464232033e+04 1.464232033e+04 2.152749041e+04 2.152749041e+04 9.546231842e+03 9.546231842e+03 2.529419344e+04 2.529419344e+04 1.14 1.181527110e+04 1.181527110e+04 1.737136541e+04 1.737136541e+04 7.704190400e+03 7.704190400e+03 2.041348888e+04 2.041348888e+04 1.16 9.567425839e+03 9.567425839e+03 1.406671765e+04 1.406671765e+04 6.239438772e+03 6.239438772e+03 1.653245018e+04 1.653245018e+04 1.18 7.773248854e+03 7.773248854e+03 1.142900301e+04 1.142900301e+04 5.070216043e+03 5.070216043e+03 1.343444496e+04 1.343444496e+04 1.20 6.335877948e+03 6.335877948e+03 9.315828278e+03 9.315828278e+03 4.133434723e+03 4.133434723e+03 1.095231802e+04 1.095231802e+04 1.22 5.180249359e+03 5.180249359e+03 7.616844071e+03 7.616844071e+03 3.380203371e+03 3.380203371e+03 8.956526485e+03 8.956526485e+03 1.24 4.247946029e+03 4.247946029e+03 6.246172107e+03 6.246172107e+03 2.772471861e+03 2.772471861e+03 7.346252482e+03 7.346252482e+03 1.26 3.493319225e+03 3.493319225e+03 5.136706160e+03 5.136706160e+03 2.280506149e+03 2.280506149e+03 6.042712731e+03 6.042712731e+03 1.28 2.880557750e+03 2.880557750e+03 4.235801519e+03 4.235801519e+03 1.880979350e+03 1.880979350e+03 4.984099514e+03 4.984099514e+03 1.30 2.381461238e+03 2.381461238e+03 3.501999536e+03 3.501999536e+03 1.555520713e+03 1.555520713e+03 4.121737634e+03 4.121737634e+03 1.32 1.973739844e+03 1.973739844e+03 2.902531147e+03 2.902531147e+03 1.289609177e+03 1.289609177e+03 3.417152479e+03 3.417152479e+03 1.34 1.639711722e+03 1.639711722e+03 2.411403218e+03 2.411403218e+03 1.071725928e+03 1.071725928e+03 2.839823542e+03 2.839823542e+03 1.36 1.365302095e+03 1.365302095e+03 2.007925101e+03 2.007925101e+03 8.927016777e+02 8.927016777e+02 2.365455451e+03 2.365455451e+03 1.38 1.139269922e+03 1.139269922e+03 1.675572176e+03 1.675572176e+03 7.452126458e+02 7.452126458e+02 1.974643622e+03 1.974643622e+03 1.40 9.526085354e+02 9.526085354e+02 1.401104544e+03 1.401104544e+03 6.233901914e+02 6.233901914e+02 1.651839681e+03 1.651839681e+03 1.42 7.980793641e+02 7.980793641e+02 1.173880124e+03 1.173880124e+03 5.225171086e+02 5.225171086e+02 1.384546097e+03 1.384546097e+03 1.44 6.698468034e+02 6.698468034e+02 9.853186031e+02 9.853186031e+02 4.387901478e+02 4.387901478e+02 1.162686840e+03 1.162686840e+03 1.46 5.631924365e+02 5.631924365e+02 8.284821133e+02 8.284821133e+02 3.691340039e+02 3.691340039e+02 9.781140390e+02 9.781140390e+02 1.48 4.742897783e+02 4.742897783e+02 6.977449289e+02 6.977449289e+02 3.110549083e+02 3.110549083e+02 8.242200609e+02 8.242200609e+02 1.50 4.000271982e+02 4.000271982e+02 5.885329265e+02 5.885329265e+02 2.625252323e+02 2.625252323e+02 6.956312119e+02 6.956312119e+02 1.52 3.378675592e+02 3.378675592e+02 4.971165090e+02 4.971165090e+02 2.218916509e+02 2.218916509e+02 5.879654806e+02 5.879654806e+02 1.54 2.857368517e+02 2.857368517e+02 4.204467291e+02 4.204467291e+02 1.878025651e+02 1.878025651e+02 4.976403750e+02 4.976403750e+02 1.56 2.419352656e+02 2.419352656e+02 3.560246260e+02 3.560246260e+02 1.591499443e+02 1.591499443e+02 4.217195505e+02 4.217195505e+02 1.58 2.050663816e+02 2.050663816e+02 3.017968383e+02 3.017968383e+02 1.350230423e+02 1.350230423e+02 3.577901420e+02 3.577901420e+02 1.60 1.739800602e+02 1.739800602e+02 2.560724743e+02 2.560724743e+02 1.146717803e+02 1.146717803e+02 3.038645865e+02 3.038645865e+02 1.62 1.477269123e+02 1.477269123e+02 2.174556442e+02 2.174556442e+02 9.747698411e+01 9.747698411e+01 2.583017610e+02 2.583017610e+02 1.64 1.255210209e+02 1.255210209e+02 1.847908510e+02 1.847908510e+02 8.292609504e+01 8.292609504e+01 2.197436676e+02 2.197436676e+02 1.66 1.067106270e+02 1.067106270e+02 1.571197796e+02 1.571197796e+02 7.059397089e+01 7.059397089e+01 1.870641596e+02 1.870641596e+02 1.68 9.075415580e+01 9.075415580e+01 1.336460426e+02 1.336460426e+02 6.012722998e+01 6.012722998e+01 1.593271585e+02 1.593271585e+02 1.70 7.720061789e+01 7.720061789e+01 1.137064699e+02 1.137064699e+02 5.123151215e+01 5.123151215e+01 1.357529201e+02 1.357529201e+02 1.72 6.567377531e+01 6.567377531e+01 9.674782338e+01 9.674782338e+01 4.366118725e+01 4.366118725e+01 1.156907860e+02 1.156907860e+02 1.74 5.585923835e+01 5.585923835e+01 8.230777067e+01 8.230777067e+01 3.721093996e+01 3.721093996e+01 9.859682294e+01 9.859682294e+01 1.76 4.749392662e+01 4.749392662e+01 6.999909575e+01 6.999909575e+01 3.170887530e+01 3.170887530e+01 8.401554493e+01 8.401554493e+01 1.78 4.035724178e+01 4.035724178e+01 5.949669589e+01 5.949669589e+01 2.701069987e+01 2.701069987e+01 7.156477270e+01 7.156477270e+01 1.80 3.426350387e+01 3.426350387e+01 5.052726222e+01 5.052726222e+01 2.299511474e+01 2.299511474e+01 6.092306367e+01 6.092306367e+01 1.82 2.905623309e+01 2.905623309e+01 4.286073288e+01 4.286073288e+01 1.956002629e+01 1.956002629e+01 5.181964354e+01 5.181964354e+01 1.84 2.460349355e+01 2.460349355e+01 3.630302001e+01 3.630302001e+01 1.661923012e+01 1.661923012e+01 4.402608318e+01 4.402608318e+01 1.86 2.079377455e+01 2.079377455e+01 3.069018256e+01 3.069018256e+01 1.409985211e+01 1.409985211e+01 3.734936682e+01 3.734936682e+01 1.88 1.753259521e+01 1.753259521e+01 2.588361221e+01 2.588361221e+01 1.194023885e+01 1.194023885e+01 3.162609773e+01 3.162609773e+01 1.90 1.473987689e+01 1.473987689e+01 2.176598542e+01 2.176598542e+01 1.008815139e+01 1.008815139e+01 2.671765712e+01 2.671765712e+01 1.92 1.234766513e+01 1.234766513e+01 1.823789425e+01 1.823789425e+01 8.499281039e+00 8.499281039e+00 2.250642187e+01 2.250642187e+01 1.94 1.029817764e+01 1.029817764e+01 1.521484828e+01 1.521484828e+01 7.136012345e+00 7.136012345e+00 1.889244155e+01 1.889244155e+01 1.96 8.542235906e+00 8.542235906e+00 1.262477451e+01 1.262477451e+01 5.966282352e+00 5.966282352e+00 1.579066726e+01 1.579066726e+01 1.98 7.037971394e+00 7.037971394e+00 1.040602099e+01 1.040602099e+01 4.962645421e+00 4.962645421e+00 1.312857020e+01 1.312857020e+01 2.00 5.749717227e+00 5.749717227e+00 8.505954533e+00 8.505954533e+00 4.101666175e+00 4.101666175e+00 1.084425653e+01 1.084425653e+01 2.02 4.646964170e+00 4.646964170e+00 6.879634685e+00 6.879634685e+00 3.363323831e+00 3.363323831e+00 8.884788641e+00 8.884788641e+00 2.04 3.703550145e+00 3.703550145e+00 5.488658701e+00 5.488658701e+00 2.730486957e+00 2.730486957e+00 7.204848914e+00 7.204848914e+00 2.06 2.897103287e+00 2.897103287e+00 4.300078552e+00 4.300078552e+00 2.188418107e+00 2.188418107e+00 5.765588733e+00 5.765588733e+00 2.08 2.208496482e+00 2.208496482e+00 3.285657940e+00 3.285657940e+00 1.724472450e+00 1.724472450e+00 4.533660434e+00 4.533660434e+00 2.10 1.621374670e+00 1.621374670e+00 2.421179862e+00 2.421179862e+00 1.327800883e+00 1.327800883e+00 3.480446519e+00 3.480446519e+00 2.12 1.121652444e+00 1.121652444e+00 1.685838949e+00 1.685838949e+00 9.890794683e-01 9.890794683e-01 2.581397395e+00 2.581397395e+00 2.14 6.972236262e-01 6.972236262e-01 1.061752666e+00 1.061752666e+00 7.002932548e-01 7.002932548e-01 1.815431712e+00 1.815431712e+00 2.16 3.377142179e-01 3.377142179e-01 5.335485214e-01 5.335485214e-01 4.545538432e-01 4.545538432e-01 1.164340746e+00 1.164340746e+00 2.18 3.422874776e-02 3.422874776e-02 8.801489176e-02 8.801489176e-02 2.459451878e-01 2.459451878e-01 6.123490138e-01 6.123490138e-01 2.20 -2.208508493e-01 -2.208508493e-01 -2.861945459e-01 -2.861945459e-01 6.939319459e-02 6.939319459e-02 1.458463681e-01 1.458463681e-01 2.22 -4.340741117e-01 -4.340741117e-01 -5.988522507e-01 -5.988522507e-01 -7.946515617e-02 -7.946515617e-02 -2.469136948e-01 -2.469136948e-01 2.24 -6.111988405e-01 -6.111988405e-01 -8.585098937e-01 -8.585098937e-01 -2.044454985e-01 -2.044454985e-01 -5.761001514e-01 -5.761001514e-01 2.26 -7.572289167e-01 -7.572289167e-01 -1.072581749e+00 -1.072581749e+00 -3.088437949e-01 -3.088437949e-01 -8.504855055e-01 -8.504855055e-01 2.28 -8.764873262e-01 -8.764873262e-01 -1.247465967e+00 -1.247465967e+00 -3.954884591e-01 -3.954884591e-01 -1.077645242e+00 -1.077645242e+00 2.30 -9.727078908e-01 -9.727078908e-01 -1.388684925e+00 -1.388684925e+00 -4.668060745e-01 -4.668060745e-01 -1.264160487e+00 -1.264160487e+00 2.32 -1.049108408e+00 -1.049108408e+00 -1.500998701e+00 -1.500998701e+00 -5.248712508e-01 -5.248712508e-01 -1.415745983e+00 -1.415745983e+00 2.34 -1.108432557e+00 -1.108432557e+00 -1.588502258e+00 -1.588502258e+00 -5.714495478e-01 -5.714495478e-01 -1.537344129e+00 -1.537344129e+00 2.36 -1.153061295e+00 -1.153061295e+00 -1.654764352e+00 -1.654764352e+00 -6.080901103e-01 -6.080901103e-01 -1.633222522e+00 -1.633222522e+00 2.38 -1.185100179e+00 -1.185100179e+00 -1.702946794e+00 -1.702946794e+00 -6.362054591e-01 -6.362054591e-01 -1.707057783e+00 -1.707057783e+00 2.40 -1.206387012e+00 -1.206387012e+00 -1.735797000e+00 -1.735797000e+00 -6.570303862e-01 -6.570303862e-01 -1.762003311e+00 -1.762003311e+00 2.42 -1.218524264e+00 -1.218524264e+00 -1.755693412e+00 -1.755693412e+00 -6.716386953e-01 -6.716386953e-01 -1.800745297e+00 -1.800745297e+00 2.44 -1.222909891e+00 -1.222909891e+00 -1.764690460e+00 -1.764690460e+00 -6.809637355e-01 -6.809637355e-01 -1.825590016e+00 -1.825590016e+00 2.46 -1.220763661e+00 -1.220763661e+00 -1.764556949e+00 -1.764556949e+00 -6.858160102e-01 -6.858160102e-01 -1.838558077e+00 -1.838558077e+00 2.48 -1.213149657e+00 -1.213149657e+00 -1.756808810e+00 -1.756808810e+00 -6.868982772e-01 -6.868982772e-01 -1.841410851e+00 -1.841410851e+00 2.50 -1.200995470e+00 -1.200995470e+00 -1.742736999e+00 -1.742736999e+00 -6.848184909e-01 -6.848184909e-01 -1.835703538e+00 -1.835703538e+00 2.52 -1.185108561e+00 -1.185108561e+00 -1.723431241e+00 -1.723431241e+00 -6.801008910e-01 -6.801008910e-01 -1.822770876e+00 -1.822770876e+00 2.54 -1.166190183e+00 -1.166190183e+00 -1.699800181e+00 -1.699800181e+00 -6.731954922e-01 -6.731954922e-01 -1.803760194e+00 -1.803760194e+00 2.56 -1.144847189e+00 -1.144847189e+00 -1.672588573e+00 -1.672588573e+00 -6.644861986e-01 -6.644861986e-01 -1.779702332e+00 -1.779702332e+00 2.58 -1.121602011e+00 -1.121602011e+00 -1.642424339e+00 -1.642424339e+00 -6.542977290e-01 -6.542977290e-01 -1.751505602e+00 -1.751505602e+00 2.60 -1.096898259e+00 -1.096898259e+00 -1.609878661e+00 -1.609878661e+00 -6.429015178e-01 -6.429015178e-01 -1.719951691e+00 -1.719951691e+00 2.62 -1.071105853e+00 -1.071105853e+00 -1.575421294e+00 -1.575421294e+00 -6.305207273e-01 -6.305207273e-01 -1.685707374e+00 -1.685707374e+00 2.64 -1.044532599e+00 -1.044532599e+00 -1.539440387e+00 -1.539440387e+00 -6.173404303e-01 -6.173404303e-01 -1.649344365e+00 -1.649344365e+00 2.66 -1.017429681e+00 -1.017429681e+00 -1.502315334e+00 -1.502315334e+00 -6.035430129e-01 -6.035430129e-01 -1.611350653e+00 -1.611350653e+00 2.68 -9.899955837e-01 -9.899955837e-01 -1.464391823e+00 -1.464391823e+00 -5.892952111e-01 -5.892952111e-01 -1.572144610e+00 -1.572144610e+00 2.70 -9.623795986e-01 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-7.753152476e-01 -1.158092676e+00 -1.158092676e+00 -4.713852186e-01 -4.713852186e-01 -1.250323192e+00 -1.250323192e+00 2.86 -7.506659767e-01 -7.506659767e-01 -1.121362429e+00 -1.121362429e+00 -4.570217721e-01 -4.570217721e-01 -1.211827606e+00 -1.211827606e+00 2.88 -7.266863945e-01 -7.266863945e-01 -1.085229432e+00 -1.085229432e+00 -4.428404710e-01 -4.428404710e-01 -1.174047110e+00 -1.174047110e+00 2.90 -7.033834252e-01 -7.033834252e-01 -1.049748164e+00 -1.049748164e+00 -4.288660983e-01 -4.288660983e-01 -1.137049489e+00 -1.137049489e+00 2.92 -6.807477180e-01 -6.807477180e-01 -1.014967959e+00 -1.014967959e+00 -4.151221870e-01 -4.151221870e-01 -1.100892917e+00 -1.100892917e+00 2.94 -6.587538196e-01 -6.587538196e-01 -9.809317218e-01 -9.809317218e-01 -4.016292344e-01 -4.016292344e-01 -1.065611636e+00 -1.065611636e+00 2.96 -6.373611280e-01 -6.373611280e-01 -9.476767620e-01 -9.476767620e-01 -3.884051281e-01 -3.884051281e-01 -1.031227076e+00 -1.031227076e+00 2.98 -6.165458819e-01 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