# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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 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 -5.822015270e+02 nan 0.78 nan nan nan nan nan nan nan nan -5.407994584e+02 nan 0.80 nan nan nan nan nan nan nan nan -5.025478482e+02 nan 0.82 nan nan nan nan nan -3.973480821e+02 nan nan -4.636955571e+02 nan 0.84 nan nan nan nan nan -3.649406644e+02 nan nan -4.261383523e+02 nan 0.86 nan nan nan nan nan -3.351480373e+02 nan nan -3.930359813e+02 nan 0.88 nan nan nan nan nan -3.081610955e+02 nan nan -3.633774362e+02 nan 0.90 nan nan nan nan nan -2.863131810e+02 nan nan -3.371580908e+02 nan 0.92 nan nan nan -6.243621826e+02 -6.237134662e+02 -2.677039409e+02 nan nan -3.143267388e+02 -4.388552857e+02 0.94 nan -4.040818533e+02 nan -5.829794498e+02 -5.823665370e+02 -2.473365171e+02 -4.164288302e+02 nan -2.939026994e+02 -4.074443292e+02 0.96 nan -3.786878495e+02 nan -5.463179621e+02 -5.466491529e+02 -2.252292630e+02 -3.896938787e+02 nan -2.740014322e+02 -3.762345391e+02 0.98 nan -3.545826444e+02 nan -5.126485340e+02 -5.135285593e+02 -2.038456901e+02 -3.630143792e+02 nan -2.541440302e+02 -3.495674242e+02 1.00 nan -3.320406737e+02 nan -4.802674987e+02 -4.804865646e+02 -1.841138165e+02 -3.363249382e+02 nan -2.356280429e+02 -3.279529419e+02 1.02 nan -3.110366112e+02 nan -4.505368332e+02 -4.495268355e+02 -1.665745674e+02 -3.122091024e+02 nan -2.188733701e+02 -3.084228101e+02 1.04 nan -2.914694387e+02 -3.905457379e+02 -4.240623451e+02 -4.223291952e+02 -1.500266439e+02 -2.914099205e+02 -4.032077206e+02 -2.034755126e+02 -2.904182385e+02 1.06 -4.052395149e+02 -2.733991325e+02 -3.691332710e+02 -3.997372980e+02 -3.977642943e+02 -1.348271475e+02 -2.734171189e+02 -3.804711931e+02 -1.895424891e+02 -2.743455621e+02 1.08 -3.820867610e+02 -2.571219108e+02 -3.486871402e+02 -3.766634711e+02 -3.751192574e+02 -1.210651425e+02 -2.588864425e+02 -3.565572745e+02 -1.767665694e+02 -2.577499903e+02 1.10 -3.578443941e+02 -2.411230231e+02 -3.290531148e+02 -3.555405926e+02 -3.551831784e+02 -1.083440973e+02 -2.456923853e+02 -3.326809343e+02 -1.647261913e+02 -2.399005922e+02 1.12 -3.341112694e+02 -2.257647575e+02 -3.088517129e+02 -3.365723038e+02 -3.376698435e+02 -9.620825932e+01 -2.317440961e+02 -3.107003892e+02 -1.529652988e+02 -2.231173252e+02 1.14 -3.122541558e+02 -2.109003494e+02 -2.879324481e+02 -3.178422510e+02 -3.200781938e+02 -8.471494460e+01 -2.164121358e+02 -2.914027327e+02 -1.413932267e+02 -2.089103960e+02 1.16 -2.930140949e+02 -1.984533159e+02 -2.680161526e+02 -2.987734660e+02 -3.017260522e+02 -7.571399605e+01 -2.014260085e+02 -2.743085179e+02 -1.299946645e+02 -1.974595213e+02 1.18 -2.759682847e+02 -1.875508465e+02 -2.495416259e+02 -2.802777640e+02 -2.830095920e+02 -6.958607365e+01 -1.884952022e+02 -2.590792441e+02 -1.190782961e+02 -1.873857852e+02 1.20 -2.612489539e+02 -1.778621482e+02 -2.344814341e+02 -2.631389926e+02 -2.647900736e+02 -6.609036898e+01 -1.771764523e+02 -2.460781953e+02 -1.084030347e+02 -1.770387291e+02 1.22 -2.493318727e+02 -1.680577888e+02 -2.231009046e+02 -2.480756273e+02 -2.482757605e+02 -6.475314286e+01 -1.673206813e+02 -2.347684208e+02 -9.779184548e+01 -1.661987826e+02 1.24 -2.383920186e+02 -1.582270357e+02 -2.131548611e+02 -2.350363967e+02 -2.340864020e+02 -6.412095216e+01 -1.578572592e+02 -2.240675959e+02 -8.680642605e+01 -1.556518421e+02 1.26 -2.277154751e+02 -1.481855759e+02 -2.027901525e+02 -2.235043757e+02 -2.217238898e+02 -6.232328617e+01 -1.490355991e+02 -2.130258410e+02 -7.573348270e+01 -1.453146197e+02 1.28 -2.163655433e+02 -1.384196601e+02 -1.934878031e+02 -2.126813371e+02 -2.103372553e+02 -5.933393809e+01 -1.406588705e+02 -2.018162260e+02 -6.522261896e+01 -1.349906390e+02 1.30 -2.045017893e+02 -1.293867098e+02 -1.841855354e+02 -2.017804034e+02 -1.992588009e+02 -5.557426051e+01 -1.329338659e+02 -1.901367880e+02 -5.612305681e+01 -1.238164734e+02 1.32 -1.929869323e+02 -1.207460489e+02 -1.747236557e+02 -1.911807764e+02 -1.889103569e+02 -5.152105557e+01 -1.250502622e+02 -1.786680545e+02 -4.857944888e+01 -1.119197943e+02 1.34 -1.813753740e+02 -1.118389400e+02 -1.645187384e+02 -1.809189812e+02 -1.794733470e+02 -4.711036661e+01 -1.163257698e+02 -1.676430897e+02 -4.246246215e+01 -9.890823361e+01 1.36 -1.705388300e+02 -1.033889313e+02 -1.546881435e+02 -1.714418038e+02 -1.710540848e+02 -4.259795755e+01 -1.060297399e+02 -1.574420448e+02 -3.719137416e+01 -8.628496750e+01 1.38 -1.607897870e+02 -9.519228550e+01 -1.455679476e+02 -1.627116002e+02 -1.632511606e+02 -3.789527271e+01 -9.461960784e+01 -1.485636920e+02 -3.279307647e+01 -7.494348228e+01 1.40 -1.516422529e+02 -8.681641251e+01 -1.381599621e+02 -1.542137540e+02 -1.553898925e+02 -3.397979954e+01 -8.273558938e+01 -1.405347583e+02 -2.885276619e+01 -6.564473554e+01 1.42 -1.431058985e+02 -7.841603099e+01 -1.312302480e+02 -1.458894287e+02 -1.473434877e+02 -3.036999125e+01 -7.135352359e+01 -1.332473050e+02 -2.553070883e+01 -5.873935199e+01 1.44 -1.351347472e+02 -7.054911836e+01 -1.240131857e+02 -1.376857448e+02 -1.391552739e+02 -2.702927939e+01 -6.127775534e+01 -1.265327782e+02 -2.282808658e+01 -5.325832021e+01 1.46 -1.286218961e+02 -6.375553867e+01 -1.169165004e+02 -1.298879799e+02 -1.311153932e+02 -2.380538269e+01 -5.230660032e+01 -1.201820647e+02 -2.076797341e+01 -4.862422966e+01 1.48 -1.231244708e+02 -5.715449897e+01 -1.093427978e+02 -1.225002714e+02 -1.233266472e+02 -2.022901388e+01 -4.448043047e+01 -1.139347087e+02 -1.888340016e+01 -4.382106217e+01 1.50 -1.178885962e+02 -5.027134424e+01 -1.019565855e+02 -1.156114048e+02 -1.159539739e+02 -1.622000559e+01 -3.766433522e+01 -1.072655937e+02 -1.726627155e+01 -3.896148911e+01 1.52 -1.118043618e+02 -4.289575773e+01 -9.507488710e+01 -1.088248882e+02 -1.088139509e+02 -1.194182372e+01 -3.185480927e+01 -9.988551372e+01 -1.589627038e+01 -3.430650403e+01 1.54 -1.042953901e+02 -3.595036779e+01 -8.865140420e+01 -1.019354674e+02 -1.016977738e+02 -8.276044752e+00 -2.684917131e+01 -9.198753053e+01 -1.448545234e+01 -3.011899720e+01 1.56 -9.633968298e+01 -2.940845717e+01 -8.221544776e+01 -9.499323183e+01 -9.459987949e+01 -5.608834721e+00 -2.232566671e+01 -8.399014683e+01 -1.296739933e+01 -2.655235292e+01 1.58 -8.801415557e+01 -2.351724033e+01 -7.525056890e+01 -8.800430645e+01 -8.761220329e+01 -3.684392964e+00 -1.799769528e+01 -7.598969029e+01 -1.120841874e+01 -2.363163858e+01 1.60 -7.987603584e+01 -1.796061056e+01 -6.713815989e+01 -8.080381689e+01 -8.039736283e+01 -2.338501836e+00 -1.375998061e+01 -6.799102584e+01 -9.423128857e+00 -2.124087413e+01 1.62 -7.196114293e+01 -1.232198395e+01 -5.766856328e+01 -7.332641833e+01 -7.290147435e+01 -1.404640763e+00 -1.005330417e+01 -6.014188838e+01 -7.737572663e+00 -1.988799459e+01 1.64 -6.413838194e+01 -7.479407337e+00 -4.761442504e+01 -6.583649130e+01 -6.545206926e+01 -8.621880070e-01 -7.360567884e+00 -5.234332415e+01 -6.155352721e+00 -1.848760113e+01 1.66 -5.628261286e+01 -3.913740394e+00 -3.809394146e+01 -5.824775897e+01 -5.806806899e+01 -6.313744044e-01 -5.842326851e+00 -4.460821039e+01 -4.758079785e+00 -1.709313371e+01 1.68 -4.943465215e+01 -1.295356537e+00 -2.913859009e+01 -5.115345567e+01 -5.130421972e+01 -5.115959795e-01 -5.077718894e+00 -3.778462801e+01 -3.600641304e+00 -1.596165677e+01 1.70 -4.248070027e+01 2.391463263e-01 -2.102707823e+01 -4.404509835e+01 -4.469106171e+01 -4.397754455e-01 -4.809725339e+00 -3.114876992e+01 -2.644687290e+00 -1.467790609e+01 1.72 -3.581936123e+01 9.119650050e-01 -1.380609747e+01 -3.714603133e+01 -3.828247495e+01 -4.277669953e-01 -4.707665888e+00 -2.498834008e+01 -1.896754618e+00 -1.329520858e+01 1.74 -2.964396390e+01 1.057909628e+00 -7.822641678e+00 -3.036656671e+01 -3.176850217e+01 -4.456964732e-01 -4.755941456e+00 -1.904472666e+01 -1.408365790e+00 -1.180021485e+01 1.76 -2.373950681e+01 9.371184553e-01 -3.914395092e+00 -2.383318205e+01 -2.526297385e+01 -4.782386758e-01 -4.884767432e+00 -1.333994817e+01 -1.163056344e+00 -1.021915766e+01 1.78 -1.818526139e+01 6.740676781e-01 -1.572585313e+00 -1.754804685e+01 -1.870225731e+01 -5.140386462e-01 -4.887759343e+00 -8.122966068e+00 -1.101432320e+00 -8.644898673e+00 1.80 -1.286240753e+01 3.478788064e-01 -1.802512934e-01 -1.172068395e+01 -1.243010379e+01 -5.563706259e-01 -4.805414033e+00 -4.016418974e+00 -1.115472149e+00 -7.055042648e+00 1.82 -7.899187750e+00 1.029851229e-02 6.765077531e-01 -6.579247045e+00 -6.771833085e+00 -6.045173667e-01 -4.624831487e+00 -1.318885987e+00 -1.159391531e+00 -5.599393861e+00 1.84 -3.814074869e+00 -3.279332556e-01 1.156600802e+00 -2.933527738e+00 -2.808893346e+00 -6.627972627e-01 -4.324071869e+00 3.565475156e-01 -1.239627764e+00 -4.135745838e+00 1.86 -1.064863764e+00 -6.664195081e-01 1.370282163e+00 -6.180449984e-01 -3.706374250e-01 -7.285496903e-01 -3.882960119e+00 1.265407323e+00 -1.352937402e+00 -2.873312689e+00 1.88 5.890963455e-01 -9.993954238e-01 1.372161698e+00 7.124896285e-01 9.893399434e-01 -8.045114757e-01 -3.358658970e+00 1.629025202e+00 -1.475334819e+00 -1.906942788e+00 1.90 1.389844595e+00 -1.319863396e+00 1.234385112e+00 1.415936052e+00 1.683255826e+00 -8.891260867e-01 -2.779948251e+00 1.640809498e+00 -1.591801395e+00 -1.290189677e+00 1.92 1.695990936e+00 -1.620939279e+00 1.020107623e+00 1.710686474e+00 1.954612298e+00 -9.779871963e-01 -2.220150221e+00 1.461528957e+00 -1.701738767e+00 -9.214343383e-01 1.94 1.692551503e+00 -1.895026212e+00 7.679124819e-01 1.713299762e+00 1.914481591e+00 -1.066848882e+00 -1.806319115e+00 1.172030140e+00 -1.803614034e+00 -7.608972036e-01 1.96 1.508138190e+00 -2.152246229e+00 4.939425420e-01 1.552017449e+00 1.726673858e+00 -1.154125710e+00 -1.558387330e+00 8.113728614e-01 -1.901011954e+00 -7.493287327e-01 1.98 1.218099514e+00 -2.368788702e+00 2.042204078e-01 1.284688967e+00 1.440850699e+00 -1.241029816e+00 -1.470667098e+00 4.424236363e-01 -1.995410884e+00 -8.153176712e-01 2.00 8.514576271e-01 -2.545659531e+00 -1.064052756e-01 9.478847532e-01 1.095362521e+00 -1.332960550e+00 -1.504153684e+00 6.323522854e-02 -2.086906067e+00 -9.298595481e-01 2.02 4.369782514e-01 -2.683959388e+00 -4.462071620e-01 5.754234879e-01 7.156078006e-01 -1.432830209e+00 -1.609336512e+00 -2.768307053e-01 -2.177765562e+00 -1.090480735e+00 2.04 4.511269210e-02 -2.787850322e+00 -7.914918833e-01 2.078257440e-01 3.319267587e-01 -1.535553055e+00 -1.732017818e+00 -5.793959619e-01 -2.263095389e+00 -1.280615915e+00 2.06 -3.000568903e-01 -2.869128395e+00 -1.149008438e+00 -1.381610211e-01 -4.114904725e-02 -1.641450061e+00 -1.880618600e+00 -8.519389371e-01 -2.343736218e+00 -1.476128413e+00 2.08 -5.845943986e-01 -2.936467558e+00 -1.512202596e+00 -4.631261545e-01 -4.005952111e-01 -1.747675756e+00 -2.049875868e+00 -1.109318740e+00 -2.422527328e+00 -1.662691789e+00 2.10 -8.285538451e-01 -2.993328803e+00 -1.865197364e+00 -7.610746359e-01 -7.334017352e-01 -1.851004744e+00 -2.226419892e+00 -1.362229247e+00 -2.496018134e+00 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