# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Sa-I-Lee-B--Fe-Nb # implementation = 2008--Sa-I--Fe-Nb--LAMMPS--ipr1 # composition = Fe3Nb # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 5.936677751e+02 nan nan 0.80 5.543393820e+02 nan nan 0.82 5.174750026e+02 nan nan 0.84 4.829250536e+02 6.042002576e+02 nan 0.86 4.505488356e+02 5.674989456e+02 5.906671216e+02 0.88 4.202140150e+02 5.328992348e+02 5.563103583e+02 0.90 3.917961349e+02 5.002849422e+02 5.238296881e+02 0.92 3.651781551e+02 4.695461475e+02 4.931266060e+02 0.94 3.402500174e+02 4.405788620e+02 4.641076311e+02 0.96 3.169082371e+02 4.132847153e+02 4.366840564e+02 0.98 2.950555173e+02 3.875706573e+02 4.107717106e+02 1.00 2.746003860e+02 3.633486772e+02 3.862907318e+02 1.02 2.554568533e+02 3.405355360e+02 3.631653516e+02 1.04 2.375440896e+02 3.190525130e+02 3.413236912e+02 1.06 2.207861216e+02 2.988251662e+02 3.206975659e+02 1.08 2.051115460e+02 2.797831044e+02 3.012223002e+02 1.10 1.904532599e+02 2.618597718e+02 2.828365516e+02 1.12 1.767482073e+02 2.449922434e+02 2.654821432e+02 1.14 1.639371391e+02 2.291210317e+02 2.491039046e+02 1.16 1.519643886e+02 2.141899026e+02 2.336495201e+02 1.18 1.407776589e+02 2.001457021e+02 2.190693854e+02 1.20 1.303278229e+02 1.869381908e+02 2.053164702e+02 1.22 1.205687357e+02 1.745198882e+02 1.923461883e+02 1.24 1.114570568e+02 1.628459247e+02 1.801162744e+02 1.26 1.029520835e+02 1.518739014e+02 1.685866658e+02 1.28 9.501559395e+01 1.415637571e+02 1.577193913e+02 1.30 8.761169891e+01 1.318776428e+02 1.474784648e+02 1.32 8.070670275e+01 1.227798022e+02 1.378297844e+02 1.34 7.426897229e+01 1.142364592e+02 1.287410366e+02 1.36 6.826881339e+01 1.062157109e+02 1.201816049e+02 1.38 6.267835485e+01 9.868742585e+01 1.121224836e+02 1.40 5.747143906e+01 9.162314899e+01 1.045361953e+02 1.42 5.262351917e+01 8.499601018e+01 9.739671287e+01 1.44 4.811156222e+01 7.878063848e+01 9.067938486e+01 1.46 4.391395805e+01 7.295308066e+01 8.436086530e+01 1.48 4.001043362e+01 6.749072412e+01 7.841904650e+01 1.50 3.638197226e+01 6.237222391e+01 7.283299540e+01 1.52 3.301073787e+01 5.757743354e+01 6.758289308e+01 1.54 2.988000346e+01 5.308733966e+01 6.264997737e+01 1.56 2.697408403e+01 4.888400006e+01 5.801648821e+01 1.58 2.427827336e+01 4.495048506e+01 5.366561591e+01 1.60 2.177878463e+01 4.127082205e+01 4.958145188e+01 1.62 1.946269448e+01 3.782994292e+01 4.574894196e+01 1.64 1.731789049e+01 3.461363443e+01 4.215384204e+01 1.66 1.533302172e+01 3.160849111e+01 3.878267592e+01 1.68 1.349745227e+01 2.880187079e+01 3.562269533e+01 1.70 1.180121753e+01 2.618185250e+01 3.266184196e+01 1.72 1.023498314e+01 2.373719658e+01 2.988871144e+01 1.74 8.790006317e+00 2.145730701e+01 2.729251910e+01 1.76 7.458099588e+00 1.933219577e+01 2.486306752e+01 1.78 6.231596610e+00 1.735244904e+01 2.259071570e+01 1.80 5.103320120e+00 1.550919537e+01 2.046634982e+01 1.82 4.066551766e+00 1.379407543e+01 1.848135549e+01 1.84 3.115003777e+00 1.219921350e+01 1.662759141e+01 1.86 2.242792330e+00 1.071719046e+01 1.489736438e+01 1.88 1.444412532e+00 9.341018289e+00 1.328340561e+01 1.90 7.147149122e-01 8.064115883e+00 1.177884819e+01 1.92 4.888333157e-02 6.880286264e+00 1.037720579e+01 1.94 -5.575857581e-01 5.783694990e+00 9.072352415e+00 1.96 -1.108902809e+00 4.768849760e+00 7.858503208e+00 1.98 -1.609003475e+00 3.830581132e+00 6.730196244e+00 2.00 -2.061565810e+00 2.964024288e+00 5.682275259e+00 2.02 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-5.038065440e+00 2.74 -4.179424602e+00 -4.887027105e+00 -5.012557793e+00 2.76 -4.105337472e+00 -4.838344373e+00 -4.981955546e+00 2.78 -4.030736247e+00 -4.786449962e+00 -4.946415562e+00 2.80 -3.955796502e+00 -4.731693185e+00 -4.903604470e+00 2.82 -3.880677925e+00 -4.674398190e+00 -4.851233039e+00 2.84 -3.805525432e+00 -4.614865525e+00 -4.802340122e+00 2.86 -3.730470199e+00 -4.553373615e+00 -4.752805010e+00 2.88 -3.655630633e+00 -4.490180145e+00 -4.700529942e+00 2.90 -3.581113273e+00 -4.425523371e+00 -4.645816454e+00 2.92 -3.507013636e+00 -4.359623340e+00 -4.588945066e+00 2.94 -3.433416998e+00 -4.292683046e+00 -4.530176553e+00 2.96 -3.360399129e+00 -4.224889514e+00 -4.469753149e+00 2.98 -3.288026974e+00 -4.156414819e+00 -4.407899670e+00 3.00 -3.216359287e+00 -4.087417041e+00 -4.344824588e+00 3.02 -3.145447227e+00 -4.018041164e+00 -4.280721030e+00 3.04 -3.075334906e+00 -3.948419922e+00 -4.215767728e+00 3.06 -3.006059900e+00 -3.878674590e+00 -4.150129912e+00 3.08 -2.937653730e+00 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