# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Mendelev-M-I-Srolovitz-D-J-Ackland-G-J-Han-S--Al-Fe # implementation = 2005--Mendelev-M-I--Al-Fe--LAMMPS--ipr1 # composition = Fe # 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 nan nan 0.80 nan nan nan nan nan nan nan nan 9.588633341e+03 nan 0.82 nan nan nan nan nan nan nan nan 8.670655285e+03 nan 0.84 nan nan nan nan nan nan nan nan 7.843183342e+03 nan 0.86 nan nan nan nan nan 5.862758104e+03 nan nan 7.095672155e+03 nan 0.88 nan nan nan nan nan 5.271733880e+03 nan nan 6.418662017e+03 nan 0.90 nan nan nan nan nan 4.734142970e+03 nan nan 5.803572154e+03 nan 0.92 nan nan nan nan nan 4.244520338e+03 nan nan 5.243043902e+03 nan 0.94 nan nan nan nan nan 3.797748549e+03 nan nan 4.731051367e+03 nan 0.96 nan nan nan nan nan 3.388955324e+03 nan nan 4.262393935e+03 nan 0.98 nan nan nan 9.868956657e+03 9.870798348e+03 3.013970124e+03 nan nan 3.832547669e+03 6.083574875e+03 1.00 nan 5.503738022e+03 nan 9.094753821e+03 9.096826266e+03 2.669696119e+03 5.642518363e+03 nan 3.437510136e+03 5.550669189e+03 1.02 nan 5.010404731e+03 nan 8.381969662e+03 8.383813749e+03 2.353390567e+03 5.145142917e+03 nan 3.073708316e+03 5.060243052e+03 1.04 nan 4.556321440e+03 nan 7.724476846e+03 7.725724880e+03 2.062503449e+03 4.687792595e+03 nan 2.738067930e+03 4.607801068e+03 1.06 nan 4.137515597e+03 nan 7.117255932e+03 7.117731648e+03 1.794968935e+03 4.266121366e+03 nan 2.428017477e+03 4.189594134e+03 1.08 nan 3.750629914e+03 nan 6.555649836e+03 6.555341421e+03 1.549045726e+03 3.876428600e+03 nan 2.141288294e+03 3.802140786e+03 1.10 nan 3.392945561e+03 nan 6.035575055e+03 6.034603624e+03 1.323030485e+03 3.515418317e+03 5.513513494e+03 1.875904615e+03 3.442485277e+03 1.12 5.555386861e+03 3.062112372e+03 4.845233702e+03 5.553802572e+03 5.552311975e+03 1.115311790e+03 3.180136983e+03 5.062241961e+03 1.630179442e+03 3.108383394e+03 1.14 5.109430438e+03 2.755860345e+03 4.440026000e+03 5.107371213e+03 5.105550753e+03 9.243795922e+02 2.868131790e+03 4.644028312e+03 1.402618421e+03 2.797722334e+03 1.16 4.695637737e+03 2.471952632e+03 4.065085582e+03 4.693389482e+03 4.691485361e+03 7.487990541e+02 2.577279808e+03 4.255886586e+03 1.191841494e+03 2.508691596e+03 1.18 4.311049358e+03 2.208412103e+03 3.717580485e+03 4.309066267e+03 4.307360754e+03 5.925396245e+02 2.305897412e+03 3.895073429e+03 9.965374758e+02 2.239634683e+03 1.20 3.953085841e+03 1.963481540e+03 3.394767382e+03 3.951759460e+03 3.950518433e+03 4.706081243e+02 2.052566605e+03 3.559285691e+03 8.154672229e+02 1.989050797e+03 1.22 3.619446027e+03 1.735448047e+03 3.093980405e+03 3.618996260e+03 3.618429058e+03 3.762033233e+02 1.815962096e+03 3.246562001e+03 6.475814612e+02 1.755556742e+03 1.24 3.308335429e+03 1.522780382e+03 2.812891408e+03 3.308754831e+03 3.308915438e+03 3.025814009e+02 1.594859709e+03 2.955153099e+03 5.070551355e+02 1.537991981e+03 1.26 3.018130801e+03 1.324059059e+03 2.549541556e+03 3.019205950e+03 3.019977256e+03 2.447500077e+02 1.388215246e+03 2.683387453e+03 3.985122887e+02 1.335256810e+03 1.28 2.747249847e+03 1.138002100e+03 2.302375195e+03 2.748700841e+03 2.749875623e+03 1.989938668e+02 1.195099466e+03 2.429696641e+03 3.144167985e+02 1.146255101e+03 1.30 2.494198012e+03 9.634767411e+02 2.070342799e+03 2.495769140e+03 2.497151752e+03 1.625965533e+02 1.014651171e+03 2.192567767e+03 2.490450948e+02 9.699804863e+02 1.32 2.257511321e+03 7.996055180e+02 1.852529184e+03 2.258975286e+03 2.260393937e+03 1.335084942e+02 8.460228651e+02 1.970522905e+03 1.980570180e+02 8.054810505e+02 1.34 2.035742540e+03 6.456028285e+02 1.648056515e+03 2.036946453e+03 2.038251941e+03 1.101490755e+02 6.884067674e+02 1.762132663e+03 1.581514068e+02 6.518165084e+02 1.36 1.827551556e+03 5.111760743e+02 1.456058240e+03 1.828407854e+03 1.829471323e+03 9.129488952e+01 5.471131877e+02 1.566164336e+03 1.268131901e+02 5.194271034e+02 1.38 1.631678585e+03 4.048017976e+02 1.275659766e+03 1.632164121e+03 1.632906723e+03 7.598363782e+01 4.350279642e+02 1.381546226e+03 1.021152270e+02 4.149247584e+02 1.40 1.446906184e+03 3.206288713e+02 1.105989177e+03 1.447091440e+03 1.447516823e+03 6.345953925e+01 3.466660211e+02 1.207405644e+03 8.254526073e+01 3.322013274e+02 1.42 1.272381797e+03 2.540190686e+02 9.462085123e+02 1.272379623e+03 1.272533101e+03 5.313449580e+01 2.768506589e+02 1.043112874e+03 6.695307279e+01 2.665715297e+02 1.44 1.107553139e+03 2.013074556e+02 7.956025678e+02 1.107442503e+03 1.107371532e+03 4.456276792e+01 2.215535289e+02 8.881258678e+02 5.446243945e+01 2.144320020e+02 1.46 9.518979712e+02 1.595818997e+02 6.534945127e+02 9.517096792e+02 9.514586069e+02 3.740500234e+01 1.776585091e+02 7.419147388e+02 4.440457832e+01 1.729332080e+02 1.48 8.048802358e+02 1.265348446e+02 5.268200728e+02 8.046136912e+02 8.042236594e+02 3.139736945e+01 1.427385985e+02 6.045172748e+02 3.626581912e+01 1.397890608e+02 1.50 6.659985831e+02 1.003407553e+02 4.245725714e+02 6.656611078e+02 6.651780547e+02 2.633750885e+01 1.149100870e+02 4.883573344e+02 2.964988654e+01 1.132399470e+02 1.52 5.405410986e+02 7.956425553e+01 3.421948400e+02 5.401843154e+02 5.397077841e+02 2.207005320e+01 9.269666554e+01 3.947106509e+02 2.424619337e+01 9.192375315e+01 1.54 4.385925795e+02 6.307197545e+01 2.758539709e+02 4.382462930e+02 4.378251573e+02 1.846899958e+01 7.492358325e+01 3.191367887e+02 1.981081404e+01 7.477062210e+01 1.56 3.560419172e+02 4.996937454e+01 2.224427604e+02 3.557254979e+02 3.553809612e+02 1.542870625e+01 6.065901681e+01 2.580928944e+02 1.615034507e+01 6.093582559e+01 1.58 2.891288906e+02 3.955405001e+01 1.794455630e+02 2.888655565e+02 2.886102576e+02 1.285975396e+01 4.916626948e+01 2.087468751e+02 1.311447230e+01 4.974906483e+01 1.60 2.348219480e+02 3.127490794e+01 1.448240449e+02 2.346376622e+02 2.344763691e+02 1.068465674e+01 3.986717779e+01 1.688318885e+02 1.058579310e+01 4.066833239e+01 1.62 1.907161018e+02 2.469426091e+01 1.169306896e+02 1.906211425e+02 1.905480163e+02 8.838376197e+00 3.231446036e+01 1.365334740e+02 8.471611556e+00 3.326243595e+01 1.64 1.548857715e+02 1.946130344e+01 9.443895614e+01 1.548720155e+02 1.548726891e+02 7.267839180e+00 2.615646468e+01 1.103939567e+02 6.699642271e+00 2.719013335e+01 1.66 1.257691763e+02 1.529497050e+01 7.628857687e+01 1.258211317e+02 1.258800207e+02 5.928271205e+00 2.110947412e+01 8.923631711e+01 5.212411678e+00 2.218829877e+01 1.68 1.021007307e+02 1.197178375e+01 6.162898774e+01 1.022007000e+02 1.023033996e+02 4.781523219e+00 1.695504487e+01 7.210832993e+01 3.960345553e+00 1.805285509e+01 1.70 8.285304769e+01 9.300137195e+00 4.977775406e+01 8.298455643e+01 8.311745820e+01 3.794880557e+00 1.352824690e+01 5.823850136e+01 2.896629790e+00 1.462026112e+01 1.72 6.719670920e+01 7.139460126e+00 4.018495720e+01 6.734554552e+01 6.749530185e+01 2.940689191e+00 1.069637759e+01 4.700658880e+01 1.988474407e+00 1.176168841e+01 1.74 5.446714474e+01 5.383755201e+00 3.240484946e+01 5.462003740e+01 5.477331518e+01 2.195978826e+00 8.352207284e+00 3.791262298e+01 1.210116754e+00 9.377974653e+00 1.76 4.412272723e+01 3.949069853e+00 2.608321290e+01 4.426804511e+01 4.441317853e+01 1.545014160e+00 6.410001654e+00 3.054806276e+01 5.416639414e-01 7.389659581e+00 1.78 3.571769325e+01 2.768961055e+00 2.093679374e+01 3.584618348e+01 3.597409473e+01 9.761830065e-01 4.800193135e+00 2.458058213e+01 -3.137511396e-02 5.730032431e+00 1.80 2.888686634e+01 1.793857185e+00 1.672618354e+01 2.899245108e+01 2.909736278e+01 4.800598093e-01 3.462716193e+00 1.973979112e+01 -5.203907271e-01 4.342520715e+00 1.82 2.333098299e+01 9.847384849e-01 1.326878118e+01 2.341067715e+01 2.348982220e+01 4.903555844e-02 2.348436262e+00 1.580603483e+01 -9.364160438e-01 3.179066190e+00 1.84 1.880566715e+01 3.057696691e-01 1.042516810e+01 1.885883536e+01 1.891168499e+01 -3.228927346e-01 1.417399841e+00 1.259967811e+01 -1.290181941e+00 2.199294763e+00 1.86 1.511181546e+01 -2.828950728e-01 8.084684596e+00 1.513952704e+01 1.516715171e+01 -6.409028484e-01 6.371096426e-01 9.975684680e+00 -1.591079881e+00 1.369849081e+00 1.88 1.208699148e+01 -8.024729720e-01 6.157481501e+00 1.209180418e+01 1.209667598e+01 -9.109737128e-01 -1.789068956e-02 7.817858225e+00 -1.847522068e+00 6.642693179e-01 1.90 9.598391245e+00 -1.265185863e+00 4.571213473e+00 9.584199038e+00 9.570115164e+00 -1.138688002e+00 -5.683886734e-01 6.032773057e+00 -2.065899921e+00 6.063330549e-02 1.92 7.539658319e+00 -1.677426745e+00 3.268028075e+00 7.511083232e+00 7.482611689e+00 -1.329038606e+00 -1.031582647e+00 4.548494222e+00 -2.250496026e+00 -4.582177929e-01 1.94 5.828334112e+00 -2.042474103e+00 2.198501742e+00 5.790209296e+00 5.752164967e+00 -1.486439406e+00 -1.421822026e+00 3.308806273e+00 -2.404846046e+00 -9.053224941e-01 1.96 4.399657429e+00 -2.361717304e+00 1.319296074e+00 4.356473291e+00 4.313336703e+00 -1.615639817e+00 -1.754311742e+00 2.268669703e+00 -2.532247491e+00 -1.291242835e+00 1.98 3.201436644e+00 -2.635463074e+00 5.925694938e-01 3.156894509e+00 3.112361947e+00 -1.722094045e+00 -2.038395984e+00 1.392167594e+00 -2.635707706e+00 -1.624747468e+00 2.00 2.191794028e+00 -2.866520070e+00 -1.343118408e-02 2.148810266e+00 2.105803552e+00 -1.810971212e+00 -2.280770889e+00 6.474412102e-01 -2.718078359e+00 -1.912940097e+00 2.02 1.337416464e+00 -3.060493422e+00 -5.240477480e-01 1.298119091e+00 1.258781495e+00 -1.887131311e+00 -2.486999779e+00 -1.851641704e-03 -2.781985224e+00 -2.161192307e+00 2.04 6.117901717e-01 -3.222751542e+00 -9.583263230e-01 5.776127793e-01 5.433925052e-01 -1.954680323e+00 -2.661232454e+00 -5.708313841e-01 -2.830327362e+00 -2.373690532e+00 2.06 -9.910832936e-03 -3.358801838e+00 -1.332403341e+00 -3.800753204e-02 -6.613999235e-02 -2.016577383e+00 -2.807428614e+00 -1.070020106e+00 -2.866359612e+00 -2.555625455e+00 2.08 -5.643355451e-01 -3.475908777e+00 -1.670217856e+00 -5.857940330e-01 -6.072762233e-01 -2.080444802e+00 -2.935074379e+00 -1.512683536e+00 -2.897011662e+00 -2.719583182e+00 2.10 -1.061497084e+00 -3.576814253e+00 -1.978380132e+00 -1.076154295e+00 -1.090823054e+00 -2.146058814e+00 -3.046631648e+00 -1.902761131e+00 -2.923592832e+00 -2.866014867e+00 2.12 -1.504720134e+00 -3.663220547e+00 -2.259384743e+00 -1.512815373e+00 -1.520914353e+00 -2.211800210e+00 -3.143366888e+00 -2.241273886e+00 -2.946406002e+00 -2.992998187e+00 2.14 -1.895311733e+00 -3.736437155e+00 -2.514519392e+00 -1.897525651e+00 -1.899740166e+00 -2.276036065e+00 -3.226297795e+00 -2.528776683e+00 -2.965529304e+00 -3.098684516e+00 2.16 -2.234498079e+00 -3.796982141e+00 -2.744278837e+00 -2.231842701e+00 -2.229187325e+00 -2.337117398e+00 -3.296305078e+00 -2.768441068e+00 -2.980744297e+00 -3.182605639e+00 2.18 -2.524432737e+00 -3.845234969e+00 -2.948612967e+00 -2.518000290e+00 -2.511567843e+00 -2.393374046e+00 -3.354212414e+00 -2.966348318e+00 -2.991812059e+00 -3.245176947e+00 2.20 -2.766588082e+00 -3.881577529e+00 -3.127339783e+00 -2.757510351e+00 -2.748432620e+00 -2.443110723e+00 -3.400404977e+00 -3.128308729e+00 -2.998427692e+00 -3.286804324e+00 2.22 -2.962999106e+00 -3.906522859e+00 -3.280593979e+00 -2.952350891e+00 -2.941702675e+00 -2.484888238e+00 -3.435178951e+00 -3.260010749e+00 -3.000547177e+00 -3.308468058e+00 2.24 -3.120373121e+00 -3.921328018e+00 -3.411172574e+00 -3.109030563e+00 -3.097688005e+00 -2.518757802e+00 -3.460494936e+00 -3.368183204e+00 -2.998838105e+00 -3.313711319e+00 2.26 -3.246264368e+00 -3.927549981e+00 -3.522480068e+00 -3.234904600e+00 -3.223544832e+00 -2.545174995e+00 -3.478699207e+00 -3.458175379e+00 -2.993710292e+00 -3.306678982e+00 2.28 -3.347856207e+00 -3.926768261e+00 -3.617431702e+00 -3.336972607e+00 -3.326089007e+00 -2.564657867e+00 -3.491725921e+00 -3.533383473e+00 -2.985549475e+00 -3.291469645e+00 2.30 -3.432038601e+00 -3.920439273e+00 -3.699077634e+00 -3.422009396e+00 -3.411980190e+00 -2.578474064e+00 -3.500808831e+00 -3.596933400e+00 -2.975009113e+00 -3.272141987e+00 2.32 -3.504714138e+00 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