# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Starikov-S-Smirnova-D-Pradhan-T-et-al--Fe # implementation = 2021--Starikov-S--Fe--LAMMPS--ipr2 # composition = nmFe # 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 nan nan nan 5.055702546e+03 nan 0.80 nan nan nan nan nan nan nan nan 5.056019661e+03 nan 0.82 nan nan nan nan nan nan nan nan 5.056168223e+03 nan 0.84 nan nan nan nan nan 5.055802167e+03 nan nan 5.056209108e+03 nan 0.86 nan nan nan nan nan 5.055879096e+03 nan nan 5.056267603e+03 nan 0.88 nan nan nan nan nan 5.056148976e+03 nan nan 5.056342210e+03 nan 0.90 nan nan nan nan nan 5.056469069e+03 nan nan 5.056272508e+03 nan 0.92 nan nan nan nan nan 5.056705976e+03 nan nan 5.056180172e+03 nan 0.94 nan nan nan 5.054955535e+03 5.054920122e+03 5.056779233e+03 nan nan 5.056223974e+03 5.056491877e+03 0.96 nan 5.056152624e+03 nan 5.055159443e+03 5.055135629e+03 5.056743587e+03 5.056789098e+03 nan 5.056325962e+03 5.056220596e+03 0.98 nan 5.056305869e+03 nan 5.055352150e+03 5.055361143e+03 5.056751677e+03 5.056803288e+03 nan 5.056422612e+03 5.055975840e+03 1.00 nan 5.056420495e+03 nan 5.055477579e+03 5.055476078e+03 5.056890978e+03 5.056606615e+03 nan 5.056545107e+03 5.055905029e+03 1.02 nan 5.056524432e+03 nan 5.055603223e+03 5.055551327e+03 5.057091546e+03 5.056394099e+03 nan 5.056676391e+03 5.055932890e+03 1.04 nan 5.056638373e+03 nan 5.055791119e+03 5.055710649e+03 5.057301114e+03 5.056257884e+03 nan 5.056793268e+03 5.055967285e+03 1.06 nan 5.056735178e+03 nan 5.056026442e+03 5.055966296e+03 5.057481762e+03 5.056196643e+03 5.056377188e+03 5.056899742e+03 5.056036933e+03 1.08 5.056334287e+03 5.056815876e+03 5.056818922e+03 5.056238680e+03 5.056214946e+03 5.057563528e+03 5.056161183e+03 5.056526249e+03 5.057030179e+03 5.056155217e+03 1.10 5.056419319e+03 5.056866317e+03 5.056994939e+03 5.056423173e+03 5.056431802e+03 5.057539275e+03 5.056169408e+03 5.056585807e+03 5.057144143e+03 5.056271688e+03 1.12 5.056508883e+03 5.056896313e+03 5.057085272e+03 5.056591923e+03 5.056631720e+03 5.057426661e+03 5.056217837e+03 5.056621142e+03 5.057208262e+03 5.056368058e+03 1.14 5.056583184e+03 5.056881879e+03 5.057056093e+03 5.056707390e+03 5.056779368e+03 5.057285124e+03 5.056278940e+03 5.056646142e+03 5.057271487e+03 5.056513797e+03 1.16 5.056626108e+03 5.056858488e+03 5.056905107e+03 5.056760236e+03 5.056852528e+03 5.057166072e+03 5.056359669e+03 5.056649213e+03 5.057365727e+03 5.056709951e+03 1.18 5.056611419e+03 5.056852982e+03 5.056704689e+03 5.056740177e+03 5.056844213e+03 5.057091850e+03 5.056470751e+03 5.056601907e+03 5.057459725e+03 5.056888551e+03 1.20 5.056584998e+03 5.056837302e+03 5.056524748e+03 5.056714441e+03 5.056815800e+03 5.057048813e+03 5.056611779e+03 5.056572013e+03 5.057527875e+03 5.057035117e+03 1.22 5.056566605e+03 5.056797426e+03 5.056407472e+03 5.056702127e+03 5.056786259e+03 5.057020219e+03 5.056759804e+03 5.056582748e+03 5.057558398e+03 5.057175246e+03 1.24 5.056574617e+03 5.056763225e+03 5.056330593e+03 5.056684957e+03 5.056746027e+03 5.056991007e+03 5.056924657e+03 5.056633679e+03 5.057550642e+03 5.057331340e+03 1.26 5.056623988e+03 5.056778313e+03 5.056254528e+03 5.056653137e+03 5.056682768e+03 5.056944528e+03 5.057102593e+03 5.056692397e+03 5.057517078e+03 5.057495733e+03 1.28 5.056689242e+03 5.056845812e+03 5.056207291e+03 5.056610651e+03 5.056597212e+03 5.056898581e+03 5.057288625e+03 5.056725656e+03 5.057493464e+03 5.057610701e+03 1.30 5.056759656e+03 5.056929169e+03 5.056260930e+03 5.056581634e+03 5.056514353e+03 5.056884366e+03 5.057476926e+03 5.056736682e+03 5.057481827e+03 5.057649380e+03 1.32 5.056796248e+03 5.056993084e+03 5.056428716e+03 5.056579182e+03 5.056469755e+03 5.056921680e+03 5.057649161e+03 5.056729601e+03 5.057484962e+03 5.057607876e+03 1.34 5.056782690e+03 5.057040109e+03 5.056642848e+03 5.056597642e+03 5.056472262e+03 5.057002112e+03 5.057771117e+03 5.056723389e+03 5.057491349e+03 5.057525696e+03 1.36 5.056742941e+03 5.057092528e+03 5.056823136e+03 5.056631741e+03 5.056516058e+03 5.057086235e+03 5.057822299e+03 5.056731606e+03 5.057490185e+03 5.057454204e+03 1.38 5.056694614e+03 5.057167647e+03 5.056946583e+03 5.056674970e+03 5.056584436e+03 5.057153270e+03 5.057808874e+03 5.056764409e+03 5.057478315e+03 5.057416239e+03 1.40 5.056681136e+03 5.057266717e+03 5.057023285e+03 5.056726869e+03 5.056658667e+03 4.701373067e+03 5.057738412e+03 5.056818486e+03 5.057473694e+03 5.057422173e+03 1.42 5.056715717e+03 5.057363749e+03 5.057076405e+03 5.056797025e+03 5.056751550e+03 3.775077817e+03 5.057661241e+03 5.056895903e+03 5.057493773e+03 5.057452977e+03 1.44 5.056790640e+03 5.057451212e+03 5.057107836e+03 5.056874962e+03 5.056859678e+03 2.955906337e+03 5.057605630e+03 5.056992273e+03 5.057545338e+03 5.057457390e+03 1.46 5.056902022e+03 5.057534573e+03 5.057127167e+03 5.056968452e+03 5.056994645e+03 2.305451820e+03 5.057577097e+03 5.057098008e+03 4.540833817e+03 5.057424660e+03 1.48 5.057043217e+03 5.057618575e+03 5.057168126e+03 5.057077099e+03 5.057142309e+03 1.773043457e+03 5.057552189e+03 5.057200299e+03 3.398983287e+03 5.057361785e+03 1.50 5.057190432e+03 5.057691592e+03 5.057258973e+03 5.057198362e+03 5.057286510e+03 1.289912974e+03 5.057515835e+03 5.057285847e+03 2.574116524e+03 5.057294244e+03 1.52 5.057304224e+03 5.057739634e+03 5.057403716e+03 5.057309868e+03 5.057402430e+03 8.607286280e+02 5.057466062e+03 5.057349449e+03 1.985712685e+03 5.057249587e+03 1.54 5.057363906e+03 5.057759151e+03 5.057571194e+03 5.057386938e+03 5.057470356e+03 5.249941290e+02 5.057414655e+03 5.057396950e+03 1.518600472e+03 5.057242273e+03 1.56 5.057377185e+03 5.057766427e+03 5.057715015e+03 5.057428791e+03 5.057497281e+03 2.875562329e+02 5.057373226e+03 5.057436895e+03 1.119601665e+03 5.057260868e+03 1.58 5.057374649e+03 5.057790694e+03 5.057797091e+03 5.057449318e+03 5.057502651e+03 1.418407029e+02 5.057335053e+03 5.057464677e+03 7.982883908e+02 5.057281663e+03 1.60 5.057393432e+03 5.057824553e+03 5.057805468e+03 5.057474089e+03 5.057512917e+03 6.247558469e+01 5.057290983e+03 5.057504485e+03 5.547922461e+02 4.781900708e+03 1.62 5.057443486e+03 3.988673996e+03 5.057761731e+03 5.057510689e+03 5.057531836e+03 2.311956624e+01 4.591231813e+03 5.057562731e+03 3.710132104e+02 3.745739480e+03 1.64 5.057509841e+03 2.756930132e+03 5.057703735e+03 5.057548273e+03 5.057549707e+03 5.638440120e+00 3.714731360e+03 5.057628636e+03 2.285530453e+02 2.978840102e+03 1.66 5.057575187e+03 1.846420851e+03 5.057663981e+03 5.057580648e+03 5.057562758e+03 -5.930225290e-01 2.956373962e+03 5.057690208e+03 1.316837668e+02 2.341697369e+03 1.68 5.057636148e+03 1.186695201e+03 5.057657949e+03 5.057615459e+03 5.057582245e+03 -1.834846953e+00 2.289364212e+03 5.057745630e+03 6.677772008e+01 1.829535697e+03 1.70 5.057696203e+03 7.020660950e+02 5.057683211e+03 5.057662503e+03 5.057621214e+03 -1.576464992e+00 1.734746141e+03 5.057793891e+03 2.804200362e+01 1.420360333e+03 1.72 5.057756376e+03 3.848822668e+02 5.057722347e+03 5.057716845e+03 5.057673698e+03 -1.464969731e+00 1.283043466e+03 5.057825094e+03 7.882705202e+00 1.072322365e+03 1.74 5.057810191e+03 2.047917383e+02 5.057760635e+03 5.057765680e+03 5.057723869e+03 -1.777781917e+00 9.311260981e+02 5.057830990e+03 -3.082206771e-01 7.887117372e+02 1.76 5.057845731e+03 1.113082910e+02 4.734568857e+03 5.057795136e+03 5.057754925e+03 -2.190914071e+00 6.579445367e+02 4.874917414e+03 -2.011913052e+00 5.719707185e+02 1.78 5.057849905e+03 6.483099899e+01 3.564509086e+03 5.057798008e+03 5.057759902e+03 -2.500831573e+00 4.388855263e+02 3.858278534e+03 -1.836498740e+00 4.099295308e+02 1.80 4.421856872e+03 3.670465887e+01 2.554827468e+03 4.807830333e+03 5.057738224e+03 -2.748120346e+00 2.660915690e+02 3.108040764e+03 -1.652028742e+00 2.921228591e+02 1.82 3.580615588e+03 2.289513248e+01 1.749700770e+03 3.904927118e+03 4.147987931e+03 -2.971699427e+00 1.456326559e+02 2.490191838e+03 -1.807930816e+00 2.060493178e+02 1.84 2.961455588e+03 1.203763130e+01 1.191006456e+03 3.149378112e+03 3.316796400e+03 -3.152239554e+00 7.276008374e+01 1.949976448e+03 -2.187463945e+00 1.393991792e+02 1.86 2.442003574e+03 3.807228742e+00 8.147266181e+02 2.524342064e+03 2.620634079e+03 -3.294204070e+00 3.197236204e+01 1.478246476e+03 -2.521722561e+00 8.594098027e+01 1.88 1.954817008e+03 -9.460639953e-01 5.539604470e+02 1.984393822e+03 2.029593779e+03 -3.411882975e+00 1.126150316e+01 1.079727785e+03 -2.766378026e+00 4.493334401e+01 1.90 1.514783480e+03 -2.736298425e+00 3.645654214e+02 1.522401350e+03 1.538170336e+03 -3.512382630e+00 1.554343660e+00 7.586261282e+02 -2.970671097e+00 1.881103695e+01 1.92 1.119854911e+03 -2.955396292e+00 2.258815277e+02 1.125917991e+03 1.131891960e+03 -3.595830839e+00 -1.895384803e+00 5.056699737e+02 -3.153855953e+00 4.329545521e+00 1.94 7.818834049e+02 -2.779413306e+00 1.288910925e+02 7.916243109e+02 7.973139780e+02 -3.671762702e+00 -2.718118003e+00 3.152709802e+02 -3.302408410e+00 -1.450364494e+00 1.96 5.081413779e+02 -2.717723204e+00 6.521353763e+01 5.225793020e+02 5.273942021e+02 -3.744360915e+00 -2.590331918e+00 1.687669880e+02 -3.403134403e+00 -2.365212968e+00 1.98 3.088989992e+02 -2.778168880e+00 2.756869603e+01 3.191028869e+02 3.198808100e+02 -3.787549549e+00 -2.355843910e+00 8.870039325e+01 -3.455294889e+00 -1.999242621e+00 2.00 1.786333506e+02 -2.936617358e+00 8.265690780e+00 1.774152851e+02 1.727075917e+02 -3.798646477e+00 -2.329470332e+00 4.232884288e+01 -3.466776499e+00 -1.941011554e+00 2.02 8.391557864e+01 -3.171808121e+00 -8.284894163e-01 7.681446904e+01 7.093392155e+01 -3.746654881e+00 -2.622432689e+00 1.535979055e+01 -3.463714665e+00 -2.328879522e+00 2.04 3.882333038e+01 -3.388238647e+00 -2.831265866e+00 3.163661389e+01 2.698510131e+01 -3.674952033e+00 -2.928705261e+00 3.257556307e+00 -3.432443339e+00 -2.704145529e+00 2.06 1.343888568e+01 -3.553467037e+00 -2.924485356e+00 9.186363520e+00 6.600499459e+00 -3.569038242e+00 -3.131869728e+00 -1.741577070e+00 -3.362684969e+00 -2.971360433e+00 2.08 1.581734479e+00 -3.675502089e+00 -2.725320783e+00 9.524301369e-02 -8.836996668e-01 -3.455339139e+00 -3.274967155e+00 -2.847411683e+00 -3.261052708e+00 -3.188650006e+00 2.10 -2.202313060e+00 -3.765061889e+00 -2.678384108e+00 -2.476552040e+00 -2.685950270e+00 -3.401548210e+00 -3.391031262e+00 -2.691287305e+00 -3.131422549e+00 -3.339286252e+00 2.12 -2.831093199e+00 -3.830624596e+00 -2.735708415e+00 -2.795438805e+00 -2.778728675e+00 -3.440751606e+00 -3.488597240e+00 -2.546471243e+00 -2.973996608e+00 -3.427237507e+00 2.14 -2.691464359e+00 -3.876595474e+00 -2.823058045e+00 -2.641157329e+00 -2.620534779e+00 -3.549167430e+00 -3.566893322e+00 -2.669154861e+00 -2.779809312e+00 -3.473277899e+00 2.16 -2.568682226e+00 -3.905837016e+00 -2.908512943e+00 -2.563752278e+00 -2.584627895e+00 -3.683356265e+00 -3.623514331e+00 -2.995050026e+00 -2.556483893e+00 -3.495914271e+00 2.18 -2.658402941e+00 -3.922128352e+00 -2.998312689e+00 -2.694246123e+00 -2.745795654e+00 -3.799984114e+00 -3.659398004e+00 -3.314825141e+00 -2.327519627e+00 -3.513567908e+00 2.20 -2.977445344e+00 -3.927322890e+00 -3.111261399e+00 -2.994041301e+00 -3.034089073e+00 -3.865416769e+00 -3.673681392e+00 -3.539284775e+00 -2.114975241e+00 -3.504732673e+00 2.22 -3.318393975e+00 -3.920531435e+00 -3.245617322e+00 -3.306610755e+00 -3.325854405e+00 -3.899984481e+00 -3.669965974e+00 -3.694461600e+00 -1.935835816e+00 -3.447587113e+00 2.24 -3.552141419e+00 -3.904162843e+00 -3.397000819e+00 -3.534449509e+00 -3.542177205e+00 -3.901501536e+00 -3.657057343e+00 -3.810402470e+00 -1.800560755e+00 -3.349994639e+00 2.26 -3.705443073e+00 -3.878183555e+00 -3.542705617e+00 -3.691840400e+00 -3.692553129e+00 -3.857557471e+00 -3.629041426e+00 -3.905201456e+00 -1.698507026e+00 -3.219139017e+00 2.28 -3.812431431e+00 -3.837571190e+00 -3.657689286e+00 -3.805459530e+00 -3.799981265e+00 -3.756729137e+00 -3.551924578e+00 -3.980667479e+00 -1.606326366e+00 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