# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlCo3 # 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 nan nan nan 0.88 nan nan nan 0.90 -4.650639638e+02 nan nan 0.92 -4.359517890e+02 nan nan 0.94 -4.097155667e+02 nan nan 0.96 -3.854536135e+02 nan nan 0.98 -3.623550834e+02 nan nan 1.00 -3.402519905e+02 nan nan 1.02 -3.191082432e+02 -4.160303639e+02 -4.517973504e+02 1.04 -2.988756609e+02 -3.936459154e+02 -4.265043472e+02 1.06 -2.797026826e+02 -3.724380051e+02 -4.027172972e+02 1.08 -2.620029578e+02 -3.524057929e+02 -3.796723095e+02 1.10 -2.458817058e+02 -3.331748006e+02 -3.575058364e+02 1.12 -2.312309507e+02 -3.143006392e+02 -3.366172234e+02 1.14 -2.181136855e+02 -2.958057399e+02 -3.174114167e+02 1.16 -2.064807992e+02 -2.779384761e+02 -3.000019176e+02 1.18 -1.960608197e+02 -2.611842628e+02 -2.842871897e+02 1.20 -1.862823216e+02 -2.460810875e+02 -2.702908366e+02 1.22 -1.767121661e+02 -2.327130603e+02 -2.578613326e+02 1.24 -1.672177808e+02 -2.207154996e+02 -2.465134570e+02 1.26 -1.578591581e+02 -2.097991407e+02 -2.357115035e+02 1.28 -1.488009114e+02 -1.998750580e+02 -2.250901897e+02 1.30 -1.401030711e+02 -1.907740323e+02 -2.145963290e+02 1.32 -1.317029861e+02 -1.822011129e+02 -2.042606846e+02 1.34 -1.236190229e+02 -1.738677929e+02 -1.941073270e+02 1.36 -1.158575417e+02 -1.657272821e+02 -1.842610126e+02 1.38 -1.083398121e+02 -1.578806211e+02 -1.747862418e+02 1.40 -1.009737090e+02 -1.503237432e+02 -1.656189890e+02 1.42 -9.380357564e+01 -1.428781972e+02 -1.567325258e+02 1.44 -8.695879402e+01 -1.353792260e+02 -1.482597340e+02 1.46 -8.040632476e+01 -1.277103877e+02 -1.403246437e+02 1.48 -7.394543481e+01 -1.198641069e+02 -1.328801285e+02 1.50 -6.737841146e+01 -1.119734438e+02 -1.257208128e+02 1.52 -6.068103415e+01 -1.042086319e+02 -1.185929071e+02 1.54 -5.399233916e+01 -9.668731833e+01 -1.113837601e+02 1.56 -4.745935815e+01 -8.940740250e+01 -1.041478691e+02 1.58 -4.115243099e+01 -8.228501337e+01 -9.698402168e+01 1.60 -3.508495116e+01 -7.524001449e+01 -8.996104715e+01 1.62 -2.925794329e+01 -6.827906450e+01 -8.308316632e+01 1.64 -2.372150554e+01 -6.152908993e+01 -7.634217024e+01 1.66 -1.857764993e+01 -5.513717912e+01 -6.977377935e+01 1.68 -1.394924801e+01 -4.916854392e+01 -6.340273342e+01 1.70 -9.929645207e+00 -4.362050904e+01 -5.725591637e+01 1.72 -6.735548557e+00 -3.849021289e+01 -5.136386722e+01 1.74 -4.664423616e+00 -3.378424495e+01 -4.576856588e+01 1.76 -3.351670515e+00 -2.949921418e+01 -4.053489361e+01 1.78 -2.533004058e+00 -2.558458430e+01 -3.568882803e+01 1.80 -2.057473791e+00 -2.196620202e+01 -3.121655276e+01 1.82 -1.826564492e+00 -1.857903425e+01 -2.708630581e+01 1.84 -1.770937079e+00 -1.539542532e+01 -2.328155217e+01 1.86 -1.837063117e+00 -1.243025297e+01 -1.980420581e+01 1.88 -1.981426011e+00 -9.735788779e+00 -1.666734692e+01 1.90 -2.170697636e+00 -7.388496689e+00 -1.387725553e+01 1.92 -2.380722439e+00 -5.548838045e+00 -1.142428572e+01 1.94 -2.593335962e+00 -4.216894546e+00 -9.283558250e+00 1.96 -2.795975169e+00 -3.291001575e+00 -7.473381215e+00 1.98 -2.981040596e+00 -2.692237255e+00 -6.139120986e+00 2.00 -3.146646255e+00 -2.351146124e+00 -5.184709759e+00 2.02 -3.294846324e+00 -2.204006504e+00 -4.491321008e+00 2.04 -3.428866484e+00 -2.194729325e+00 -3.966897469e+00 2.06 -3.550823397e+00 -2.276408133e+00 -3.556062742e+00 2.08 -3.660834266e+00 -2.413701310e+00 -3.237986873e+00 2.10 -3.758178168e+00 -2.580628004e+00 -3.014432291e+00 2.12 -3.841383155e+00 -2.759109442e+00 -2.890609095e+00 2.14 -3.908836432e+00 -2.937724317e+00 -2.861041257e+00 2.16 -3.959019557e+00 -3.109363145e+00 -2.907313936e+00 2.18 -3.992171255e+00 -3.269206362e+00 -3.005495816e+00 2.20 -4.010566993e+00 -3.412464549e+00 -3.132572413e+00 2.22 -4.017561717e+00 -3.536138078e+00 -3.270517944e+00 2.24 -4.017808512e+00 -3.640725528e+00 -3.409260908e+00 2.26 -4.016102889e+00 -3.727276581e+00 -3.541979444e+00 2.28 -4.014583403e+00 -3.798173718e+00 -3.662866038e+00 2.30 -4.014315085e+00 -3.855769785e+00 -3.767120755e+00 2.32 -4.016230247e+00 -3.902120688e+00 -3.851092842e+00 2.34 -4.020373155e+00 -3.939264203e+00 -3.913480844e+00 2.36 -4.025660176e+00 -3.969515402e+00 -3.958324646e+00 2.38 -4.029395081e+00 -3.995129490e+00 -3.990132484e+00 2.40 -4.027063346e+00 -4.018127238e+00 -4.012820739e+00 2.42 -4.015757993e+00 -4.040240588e+00 -4.030349033e+00 2.44 -3.995473559e+00 -4.062966695e+00 -4.045600992e+00 2.46 -3.966345955e+00 -4.087581409e+00 -4.060136464e+00 2.48 -3.928756386e+00 -4.114435999e+00 -4.074651482e+00 2.50 -3.883539250e+00 -4.142400059e+00 -4.088998957e+00 2.52 -3.831662093e+00 -4.169693062e+00 -4.101657916e+00 2.54 -3.773944865e+00 -4.193800836e+00 -4.110439544e+00 2.56 -3.711272896e+00 -4.212002053e+00 -4.113944537e+00 2.58 -3.644450625e+00 -4.221938399e+00 -4.111730887e+00 2.60 -3.574318997e+00 -4.222398557e+00 -4.104109220e+00 2.62 -3.501730752e+00 -4.212654923e+00 -4.091722901e+00 2.64 -3.427427604e+00 -4.192733058e+00 -4.075040621e+00 2.66 -3.352022065e+00 -4.163470265e+00 -4.054676830e+00 2.68 -3.275997087e+00 -4.125734447e+00 -4.031645670e+00 2.70 -3.199752767e+00 -4.080383954e+00 -4.006943115e+00 2.72 -3.123583258e+00 -4.028276973e+00 -3.981316086e+00 2.74 -3.047534043e+00 -3.970282231e+00 -3.955160177e+00 2.76 -2.971475266e+00 -3.907390602e+00 -3.928391696e+00 2.78 -2.895253288e+00 -3.840732393e+00 -3.900458985e+00 2.80 -2.818878625e+00 -3.771485682e+00 -3.870726099e+00 2.82 -2.742410259e+00 -3.700678491e+00 -3.838541818e+00 2.84 -2.665877844e+00 -3.628983555e+00 -3.803120226e+00 2.86 -2.589627476e+00 -3.556724954e+00 -3.763870350e+00 2.88 -2.514254050e+00 -3.483868376e+00 -3.720451389e+00 2.90 -2.440377116e+00 -3.410198834e+00 -3.672721037e+00 2.92 -2.368529613e+00 -3.335641771e+00 -3.620704131e+00 2.94 -2.299059554e+00 -3.260150014e+00 -3.564497961e+00 2.96 -2.232112333e+00 -3.183809150e+00 -3.504288824e+00 2.98 -2.167723833e+00 -3.106927541e+00 -3.440419977e+00 3.00 -2.105839392e+00 -3.029997449e+00 -3.373432676e+00 3.02 -2.046345318e+00 -2.953627547e+00 -3.304007697e+00 3.04 -1.989089120e+00 -2.878412062e+00 -3.232969103e+00 3.06 -1.933931330e+00 -2.804679979e+00 -3.161161283e+00 3.08 -1.880759242e+00 -2.732472662e+00 -3.089345791e+00 3.10 -1.829464318e+00 -2.661609927e+00 -3.018103363e+00 3.12 -1.779927076e+00 -2.591962771e+00 -2.947937856e+00 3.14 -1.731976937e+00 -2.523480960e+00 -2.879191081e+00 3.16 -1.685467297e+00 -2.456169802e+00 -2.811827056e+00 3.18 -1.640312809e+00 -2.390071939e+00 -2.745385186e+00 3.20 -1.596459636e+00 -2.325314827e+00 -2.679338636e+00 3.22 -1.553870797e+00 -2.262032643e+00 -2.613321951e+00 3.24 -1.512512153e+00 -2.200326852e+00 -2.547088989e+00 3.26 -1.472325741e+00 -2.140262487e+00 -2.480535795e+00 3.28 -1.433203843e+00 -2.081784102e+00 -2.413729116e+00 3.30 -1.395014137e+00 -2.024794344e+00 -2.346880428e+00 3.32 -1.357606104e+00 -1.969176992e+00 -2.280295796e+00 3.34 -1.320811699e+00 -1.914781433e+00 -2.214333800e+00 3.36 -1.284451976e+00 -1.861412927e+00 -2.149360661e+00 3.38 -1.248353274e+00 -1.808864812e+00 -2.085656982e+00 3.40 -1.212351926e+00 -1.756968879e+00 -2.023341481e+00 3.42 -1.176288885e+00 -1.705654594e+00 -1.962413769e+00 3.44 -1.140041837e+00 -1.654913159e+00 -1.902878839e+00 3.46 -1.103558397e+00 -1.604783582e+00 -1.844752474e+00 3.48 -1.066818573e+00 -1.555338447e+00 -1.788054212e+00 3.50 -1.029812039e+00 -1.506664840e+00 -1.732802171e+00 3.52 -9.925335756e-01 -1.458851328e+00 -1.679018445e+00 3.54 -9.549828726e-01 -1.411994321e+00 -1.626759274e+00 3.56 -9.171646036e-01 -1.366175117e+00 -1.576101614e+00 3.58 -8.790882777e-01 -1.321457037e+00 -1.527145694e+00 3.60 -8.407685726e-01 -1.277896453e+00 -1.479995433e+00 3.62 -8.022258934e-01 -1.235543235e+00 -1.434753662e+00 3.64 -7.634832249e-01 -1.194437745e+00 -1.391502930e+00 3.66 -7.245602206e-01 -1.154623136e+00 -1.350262614e+00 3.68 -6.854792189e-01 -1.116140879e+00 -1.311029478e+00 3.70 -6.462677182e-01 -1.079020926e+00 -1.273773553e+00 3.72 -6.069795202e-01 -1.043251573e+00 -1.238408328e+00 3.74 -5.677015618e-01 -1.008777273e+00 -1.204807633e+00 3.76 -5.285431207e-01 -9.755254331e-01 -1.172812032e+00 3.78 -4.896652714e-01 -9.434092174e-01 -1.142230558e+00 3.80 -4.512511184e-01 -9.123286318e-01 -1.112844317e+00 3.82 -4.134919978e-01 -8.821714793e-01 -1.084414766e+00 3.84 -3.765296680e-01 -8.528143492e-01 -1.056694484e+00 3.86 -3.404494630e-01 -8.241287249e-01 -1.029445532e+00 3.88 -3.053514384e-01 -7.960230736e-01 -1.002493511e+00 3.90 -2.713398773e-01 -7.684268534e-01 -9.757197436e-01 3.92 -2.384994887e-01 -7.412689401e-01 -9.490467102e-01 3.94 -2.069108227e-01 -7.144840563e-01 -9.224489276e-01 3.96 -1.766535011e-01 -6.880199781e-01 -8.959306554e-01 3.98 -1.478056530e-01 -6.618298277e-01 -8.695097297e-01 4.00 -1.205511179e-01 -6.358719046e-01 -8.432071465e-01 4.02 -9.648038662e-02 -6.101104872e-01 -8.170383012e-01 4.04 -7.729987362e-02 -5.845165637e-01 -7.910081986e-01 4.06 -6.361625198e-02 -5.590681977e-01 -7.651081856e-01 4.08 -5.516996008e-02 -5.337527721e-01 -7.393160628e-01 4.10 -5.106955516e-02 -5.085686261e-01 -7.135981921e-01 4.12 -5.001716213e-02 -4.835224732e-01 -6.879157217e-01 4.14 -5.052361533e-02 -4.586209859e-01 -6.622428529e-01 4.16 -5.110546266e-02 -4.338662583e-01 -6.365630746e-01 4.18 -5.045844126e-02 -4.092674320e-01 -6.108634993e-01 4.20 -4.760204997e-02 -3.848492089e-01 -5.851459465e-01 4.22 -4.199503674e-02 -3.606864997e-01 -5.594789867e-01 4.24 -3.358117965e-02 -3.368753019e-01 -5.339548538e-01 4.26 -2.278443416e-02 -3.135188702e-01 -5.086689245e-01 4.28 -1.049898482e-02 -2.907154702e-01 -4.837045120e-01 4.30 2.130046217e-03 -2.685256226e-01 -4.590905540e-01 4.32 1.397893721e-02 -2.469995100e-01 -4.348392762e-01 4.34 2.413547259e-02 -2.261865550e-01 -4.109590518e-01 4.36 3.203227744e-02 -2.061495723e-01 -3.874547643e-01 4.38 3.749993012e-02 -1.869638861e-01 -3.643278139e-01 4.40 4.073290651e-02 -1.687010174e-01 -3.415762794e-01 4.42 4.218547229e-02 -1.515017644e-01 -3.191949877e-01 4.44 4.239345939e-02 -1.360236461e-01 -2.971756320e-01 4.46 4.166747577e-02 -1.227438933e-01 -2.755070163e-01 4.48 4.026841859e-02 -1.117168739e-01 -2.541751693e-01 4.50 3.843166060e-02 -1.027114103e-01 -2.331634713e-01 4.52 3.633599000e-02 -9.532890526e-02 -2.124525601e-01 4.54 3.412277065e-02 -8.910071759e-02 -1.920285161e-01 4.56 3.191187630e-02 -8.359750498e-02 -1.719075273e-01 4.58 2.981426459e-02 -7.847091599e-02 -1.521134878e-01 4.60 2.792413591e-02 -7.346823803e-02 -1.326715474e-01 4.62 2.630305649e-02 -6.842990354e-02 -1.136075536e-01 4.64 2.496201533e-02 -6.327410453e-02 -9.494821202e-02 4.66 2.384945777e-02 -5.797541644e-02 -7.672049858e-02 4.68 2.284881367e-02 -5.254377806e-02 -5.901369805e-02 4.70 2.180282856e-02 -4.700849453e-02 -4.223001030e-02 4.72 2.056071838e-02 -4.140999457e-02 -2.675931622e-02 4.74 1.901864827e-02 -3.579116074e-02 -1.288867607e-02 4.76 1.714174773e-02 -3.019129336e-02 -8.101037274e-04 4.78 1.496133382e-02 -2.463289682e-02 9.382326560e-03 4.80 1.258652756e-02 -1.912211930e-02 1.768252689e-02 4.82 1.018236736e-02 -1.366141270e-02 2.414996900e-02 4.84 7.933496645e-03 -8.239690805e-03 2.889980043e-02 4.86 6.007844267e-03 -2.834045374e-03 3.209377190e-02 4.88 4.529640859e-03 2.583138341e-03 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