# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Bullens-J-et-al--Fe-Cr-W # implementation = 2013--Bonny-G--Fe-Cr-W--LAMMPS--ipr2 # composition = Cr3W # 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 6.623003589e+02 nan nan 0.88 6.047892057e+02 nan nan 0.90 5.530706890e+02 nan nan 0.92 5.064130135e+02 nan nan 0.94 4.642723691e+02 nan nan 0.96 4.262146544e+02 6.065404669e+02 6.862199279e+02 0.98 3.918608737e+02 5.581593332e+02 6.338734799e+02 1.00 3.608399438e+02 5.139696968e+02 5.860688607e+02 1.02 3.327751810e+02 4.736638477e+02 5.423962181e+02 1.04 3.073454725e+02 4.369916676e+02 5.024302348e+02 1.06 2.842586112e+02 4.037321959e+02 4.657724868e+02 1.08 2.632327288e+02 3.736016200e+02 4.320912859e+02 1.10 2.440709002e+02 3.462831508e+02 4.010830155e+02 1.12 2.266232335e+02 3.215033395e+02 3.725504576e+02 1.14 2.107361461e+02 2.990186540e+02 3.463443771e+02 1.16 1.962411979e+02 2.786137070e+02 3.223205592e+02 1.18 1.829768496e+02 2.600431829e+02 3.003203777e+02 1.20 1.708173236e+02 2.431046369e+02 2.801780326e+02 1.22 1.596498356e+02 2.276181969e+02 2.617276301e+02 1.24 1.493580922e+02 2.134202770e+02 2.448025966e+02 1.26 1.398419707e+02 2.003646649e+02 2.292405950e+02 1.28 1.310178007e+02 1.883133498e+02 2.148992155e+02 1.30 1.228105944e+02 1.771436051e+02 2.016575716e+02 1.32 1.151458928e+02 1.667528258e+02 1.894189311e+02 1.34 1.079452538e+02 1.570603297e+02 1.780885409e+02 1.36 1.011460040e+02 1.479913726e+02 1.675629076e+02 1.38 9.470441022e+01 1.394814176e+02 1.577538792e+02 1.40 8.858454037e+01 1.314661034e+02 1.485758796e+02 1.42 8.275978134e+01 1.238839826e+02 1.399576291e+02 1.44 7.720864045e+01 1.166807975e+02 1.318541342e+02 1.46 7.191182992e+01 1.098230023e+02 1.242281084e+02 1.48 6.685022223e+01 1.032789276e+02 1.170412246e+02 1.50 6.200998534e+01 9.701870734e+01 1.102520893e+02 1.52 5.737827121e+01 9.102609530e+01 1.038276828e+02 1.54 5.294455136e+01 8.529043049e+01 9.774147048e+01 1.56 4.870107306e+01 7.980299043e+01 9.197055049e+01 1.58 4.464073615e+01 7.455789535e+01 8.648877477e+01 1.60 4.075718397e+01 6.954786659e+01 8.127185318e+01 1.62 3.704659227e+01 6.476322669e+01 7.629717031e+01 1.64 3.350516949e+01 6.019605162e+01 7.153908985e+01 1.66 3.012753536e+01 5.583669164e+01 6.696841418e+01 1.68 2.695668064e+01 5.167632734e+01 6.256901447e+01 1.70 2.399580168e+01 4.770733288e+01 5.832736246e+01 1.72 2.123492140e+01 4.392314186e+01 5.423930452e+01 1.74 1.866659768e+01 4.031628134e+01 5.030278908e+01 1.76 1.628514519e+01 3.687889701e+01 4.651540608e+01 1.78 1.408599940e+01 3.359980712e+01 4.287468508e+01 1.80 1.206605214e+01 3.048267193e+01 3.937866629e+01 1.82 1.021806363e+01 2.755012310e+01 3.602674419e+01 1.84 8.533077389e+00 2.480010329e+01 3.282167899e+01 1.86 7.002509402e+00 2.223549736e+01 2.976360744e+01 1.88 5.618410534e+00 1.984665426e+01 2.688560848e+01 1.90 4.367678817e+00 1.762405221e+01 2.419501331e+01 1.92 3.238974480e+00 1.555942264e+01 2.168134195e+01 1.94 2.223389848e+00 1.364591849e+01 1.933470306e+01 1.96 1.312587439e+00 1.187783222e+01 1.714674987e+01 1.98 4.993964865e-01 1.025131226e+01 1.511228437e+01 2.00 -2.230576928e-01 8.761512775e+00 1.322673681e+01 2.02 -8.616932908e-01 7.395324367e+00 1.148683887e+01 2.04 -1.424180007e+00 6.142194362e+00 9.884553960e+00 2.06 -1.918182338e+00 4.992480996e+00 8.411046566e+00 2.08 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-4.688275221e+00 2.80 -3.276348873e+00 -4.372421809e+00 -4.648060650e+00 2.82 -3.198645530e+00 -4.300434994e+00 -4.602303743e+00 2.84 -3.122180059e+00 -4.225244706e+00 -4.551747328e+00 2.86 -3.046788795e+00 -4.147566873e+00 -4.497128806e+00 2.88 -2.972305631e+00 -4.068049248e+00 -4.439027602e+00 2.90 -2.898562213e+00 -3.987087832e+00 -4.377618152e+00 2.92 -2.825388128e+00 -3.905029768e+00 -4.313024024e+00 2.94 -2.752611070e+00 -3.822124485e+00 -4.245376019e+00 2.96 -2.680080491e+00 -3.738459386e+00 -4.174825475e+00 2.98 -2.607723190e+00 -3.654103299e+00 -4.101525260e+00 3.00 -2.535481767e+00 -3.569123958e+00 -4.025631230e+00 3.02 -2.463318130e+00 -3.483641489e+00 -3.947382570e+00 3.04 -2.391216199e+00 -3.397835567e+00 -3.867112638e+00 3.06 -2.319160687e+00 -3.311886883e+00 -3.785161246e+00 3.08 -2.247174817e+00 -3.225974051e+00 -3.701870043e+00 3.10 -2.175313576e+00 -3.140273801e+00 -3.617582775e+00 3.12 -2.103627940e+00 -3.054961159e+00 -3.532560248e+00 3.14 -2.032204869e+00 -2.970209625e+00 -3.446432253e+00 3.16 -1.961163722e+00 -2.886191339e+00 -3.359319330e+00 3.18 -1.890651170e+00 -2.803077242e+00 -3.271487445e+00 3.20 -1.820837153e+00 -2.721037227e+00 -3.183200979e+00 3.22 -1.751911071e+00 -2.640240195e+00 -3.094722837e+00 3.24 -1.684071112e+00 -2.560819396e+00 -3.006314560e+00 3.26 -1.617489894e+00 -2.482823497e+00 -2.918236417e+00 3.28 -1.552224759e+00 -2.406288632e+00 -2.830747493e+00 3.30 -1.488337327e+00 -2.331253733e+00 -2.744110947e+00 3.32 -1.425912752e+00 -2.257814594e+00 -2.658639729e+00 3.34 -1.364927580e+00 -2.186107692e+00 -2.574674677e+00 3.36 -1.305205461e+00 -2.116287359e+00 -2.492556069e+00 3.38 -1.246404452e+00 -2.048485624e+00 -2.412597652e+00 3.40 -1.188213092e+00 -1.982654787e+00 -2.334897169e+00 3.42 -1.130444802e+00 -1.918594111e+00 -2.259443483e+00 3.44 -1.072971420e+00 -1.856088018e+00 -2.186188880e+00 3.46 -1.015695926e+00 -1.794913141e+00 -2.115018209e+00 3.48 -9.584152427e-01 -1.734807553e+00 -2.045797038e+00 3.50 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