# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Dong-W-P-Kim-H-K-Ko-W-S-et-al--Co-Al # implementation = 2012--Dong-W-P--Co-Al--LAMMPS--ipr1 # composition = Al3Co # 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 3.001183916e+02 nan nan 0.86 2.809565456e+02 nan nan 0.88 2.629391700e+02 nan nan 0.90 2.460003300e+02 nan nan 0.92 2.300778021e+02 2.810815773e+02 nan 0.94 2.151128679e+02 2.643550126e+02 2.953874000e+02 0.96 2.010501199e+02 2.485589470e+02 2.784055692e+02 0.98 1.878372780e+02 2.336433377e+02 2.623372362e+02 1.00 1.754250158e+02 2.195607806e+02 2.471349010e+02 1.02 1.637667969e+02 2.062663728e+02 2.327534756e+02 1.04 1.528187194e+02 1.937175822e+02 2.191501648e+02 1.06 1.425393698e+02 1.818741237e+02 2.062843533e+02 1.08 1.328896844e+02 1.706978427e+02 1.941174964e+02 1.10 1.238328186e+02 1.601526030e+02 1.826130178e+02 1.12 1.153340230e+02 1.502041821e+02 1.717362109e+02 1.14 1.073605270e+02 1.408201711e+02 1.614541452e+02 1.16 9.988142791e+01 1.319698799e+02 1.517355779e+02 1.18 9.286758704e+01 1.236242473e+02 1.425508684e+02 1.20 8.629153086e+01 1.157557560e+02 1.338718984e+02 1.22 8.012735797e+01 1.083383518e+02 1.256719949e+02 1.24 7.435065103e+01 1.013473666e+02 1.179258574e+02 1.26 6.893839362e+01 9.475944660e+01 1.106094887e+02 1.28 6.386889169e+01 8.855248262e+01 1.037001288e+02 1.30 5.912169926e+01 8.270554538e+01 9.717619226e+01 1.32 5.467754835e+01 7.719882335e+01 9.101720903e+01 1.34 5.051828267e+01 7.201356420e+01 8.520376744e+01 1.36 4.662679505e+01 6.713201909e+01 7.971746064e+01 1.38 4.298696829e+01 6.253738999e+01 7.454083552e+01 1.40 3.958361931e+01 5.821377965e+01 6.965734409e+01 1.42 3.640244640e+01 5.414614422e+01 6.505129748e+01 1.44 3.342997935e+01 5.032024829e+01 6.070782208e+01 1.46 3.065353236e+01 4.672262233e+01 5.661281797e+01 1.48 2.806115966e+01 4.334052227e+01 5.275291940e+01 1.50 2.564161343e+01 4.016189127e+01 4.911545729e+01 1.52 2.338430419e+01 3.717532336e+01 4.568842359e+01 1.54 2.127926334e+01 3.437002915e+01 4.246043745e+01 1.56 1.931710782e+01 3.173580311e+01 3.942071310e+01 1.58 1.748900668e+01 2.926299278e+01 3.655902934e+01 1.60 1.578664958e+01 2.694246940e+01 3.386570059e+01 1.62 1.420221703e+01 2.476560017e+01 3.133154936e+01 1.64 1.272835226e+01 2.272422198e+01 2.894788022e+01 1.66 1.135813473e+01 2.081061640e+01 2.670645493e+01 1.68 1.008505503e+01 1.901748612e+01 2.459946900e+01 1.70 8.902991299e+00 1.733793250e+01 2.261952930e+01 1.72 7.806186887e+00 1.576543437e+01 2.075963289e+01 1.74 6.789229294e+00 1.429382791e+01 1.901314687e+01 1.76 5.847030301e+00 1.291728760e+01 1.737378935e+01 1.78 4.974807219e+00 1.163030815e+01 1.583561124e+01 1.80 4.168065183e+00 1.042768737e+01 1.439297910e+01 1.82 3.422580463e+00 9.304509996e+00 1.304055881e+01 1.84 2.734384702e+00 8.256132294e+00 1.177330006e+01 1.86 2.099750058e+00 7.278167514e+00 1.058642161e+01 1.88 1.515175179e+00 6.366472099e+00 9.475397427e+00 1.90 9.773719782e-01 5.517132624e+00 8.435943335e+00 1.92 4.832531563e-01 4.726453413e+00 7.464004519e+00 1.94 2.992044003e-02 3.990944819e+00 6.555743568e+00 1.96 -3.853465189e-01 3.307312116e+00 5.707529167e+00 1.98 -7.651006036e-01 2.672444982e+00 4.915925357e+00 2.00 -1.111737101e+00 2.083407531e+00 4.177681345e+00 2.02 -1.427503002e+00 1.537428879e+00 3.489721842e+00 2.04 -1.714505773e+00 1.031894201e+00 2.849137886e+00 2.06 -1.974721622e+00 5.643362719e-01 2.253178144e+00 2.08 -2.210003293e+00 1.324274477e-01 1.699240655e+00 2.10 -2.422087409e+00 -2.660279271e-01 1.184864998e+00 2.12 -2.612601393e+00 -6.331007060e-01 7.077248637e-01 2.14 -2.783069993e+00 -9.707437469e-01 2.656210077e-01 2.16 -2.934921426e+00 -1.280798357e+00 -1.435254377e-01 2.18 -3.069493172e+00 -1.565000395e+00 -5.216793023e-01 2.20 -3.188037424e+00 -1.824986044e+00 -8.706973938e-01 2.22 -3.291726233e+00 -2.062297283e+00 -1.192334202e+00 2.24 -3.381656340e+00 -2.278387063e+00 -1.488247310e+00 2.26 -3.458853743e+00 -2.474624204e+00 -1.760002526e+00 2.28 -3.524277983e+00 -2.652298037e+00 -2.009078747e+00 2.30 -3.578826191e+00 -2.812622788e+00 -2.236872576e+00 2.32 -3.623336887e+00 -2.956741736e+00 -2.444702699e+00 2.34 -3.658593569e+00 -3.085731142e+00 -2.633814031e+00 2.36 -3.685328082e+00 -3.200603971e+00 -2.805381654e+00 2.38 -3.704223790e+00 -3.302313409e+00 -2.960514545e+00 2.40 -3.715918565e+00 -3.391756197e+00 -3.100259112e+00 2.42 -3.721007600e+00 -3.469775775e+00 -3.225602551e+00 2.44 -3.720046045e+00 -3.537165273e+00 -3.337476020e+00 2.46 -3.713551503e+00 -3.594670320e+00 -3.436757655e+00 2.48 -3.702006366e+00 -3.642991720e+00 -3.524275424e+00 2.50 -3.685860014e+00 -3.682787967e+00 -3.600809834e+00 2.52 -3.665530888e+00 -3.714677637e+00 -3.667096501e+00 2.54 -3.641408433e+00 -3.739241640e+00 -3.723828573e+00 2.56 -3.613864117e+00 -3.757025356e+00 -3.771659044e+00 2.58 -3.583339186e+00 -3.768540650e+00 -3.811202929e+00 2.60 -3.550101464e+00 -3.774267781e+00 -3.843039339e+00 2.62 -3.514171933e+00 -3.774657206e+00 -3.867713439e+00 2.64 -3.476021935e+00 -3.770131279e+00 -3.885738304e+00 2.66 -3.435901732e+00 -3.761085871e+00 -3.897596680e+00 2.68 -3.394043300e+00 -3.747891882e+00 -3.903742651e+00 2.70 -3.350661516e+00 -3.730896691e+00 -3.904603216e+00 2.72 -3.305955266e+00 -3.710425509e+00 -3.900579786e+00 2.74 -3.260108489e+00 -3.686782672e+00 -3.892049599e+00 2.76 -3.213291154e+00 -3.660252830e+00 -3.879367063e+00 2.78 -3.165660183e+00 -3.631102107e+00 -3.862865023e+00 2.80 -3.117360309e+00 -3.599579218e+00 -3.842855965e+00 2.82 -3.068524887e+00 -3.565916449e+00 -3.819633155e+00 2.84 -3.019276654e+00 -3.530330635e+00 -3.793471716e+00 2.86 -2.969728439e+00 -3.493024077e+00 -3.764629647e+00 2.88 -2.919983833e+00 -3.454185400e+00 -3.733348792e+00 2.90 -2.870137811e+00 -3.413990367e+00 -3.699855750e+00 2.92 -2.820277325e+00 -3.372602646e+00 -3.664362744e+00 2.94 -2.770481848e+00 -3.330174537e+00 -3.627068435e+00 2.96 -2.720823892e+00 -3.286847652e+00 -3.588158699e+00 2.98 -2.671369491e+00 -3.242753564e+00 -3.547807360e+00 3.00 -2.622178654e+00 -3.198014413e+00 -3.506176882e+00 3.02 -2.573305787e+00 -3.152743483e+00 -3.463419025e+00 3.04 -2.524800087e+00 -3.107045739e+00 -3.419675464e+00 3.06 -2.476705920e+00 -3.061018346e+00 -3.375078377e+00 3.08 -2.429063163e+00 -3.014751140e+00 -3.329750998e+00 3.10 -2.381907529e+00 -2.968327092e+00 -3.283808142e+00 3.12 -2.335270873e+00 -2.921822731e+00 -3.237362561e+00 3.14 -2.289181476e+00 -2.875308548e+00 -3.191157167e+00 3.16 -2.243664309e+00 -2.828849377e+00 -3.148112860e+00 3.18 -2.198741282e+00 -2.782504756e+00 -3.107438337e+00 3.20 -2.154431478e+00 -2.736329259e+00 -3.059717305e+00 3.22 -2.110751367e+00 -2.690372818e+00 -3.011790550e+00 3.24 -2.067715008e+00 -2.644681021e+00 -2.963860625e+00 3.26 -2.025334240e+00 -2.599295396e+00 -2.915990646e+00 3.28 -1.983618860e+00 -2.554253674e+00 -2.868238902e+00 3.30 -1.942576780e+00 -2.509590039e+00 -2.820659161e+00 3.32 -1.902214190e+00 -2.465335364e+00 -2.773300942e+00 3.34 -1.862535691e+00 -2.421517435e+00 -2.726209781e+00 3.36 -1.823544439e+00 -2.378161151e+00 -2.679427485e+00 3.38 -1.785242258e+00 -2.335288729e+00 -2.632992362e+00 3.40 -1.747629765e+00 -2.292919883e+00 -2.586939446e+00 3.42 -1.710706470e+00 -2.251071995e+00 -2.541300708e+00 3.44 -1.674470882e+00 -2.209760284e+00 -2.496105248e+00 3.46 -1.638920598e+00 -2.168997951e+00 -2.451379490e+00 3.48 -1.604052391e+00 -2.128796330e+00 -2.407147348e+00 3.50 -1.569862291e+00 -2.089165017e+00 -2.363430400e+00 3.52 -1.536345656e+00 -2.050111996e+00 -2.320248039e+00 3.54 -1.503497248e+00 -2.011643765e+00 -2.277617624e+00 3.56 -1.471311290e+00 -1.973765438e+00 -2.235554612e+00 3.58 -1.439781528e+00 -1.936480855e+00 -2.194072698e+00 3.60 -1.408879015e+00 -1.899792679e+00 -2.153183927e+00 3.62 -1.374450480e+00 -1.863702485e+00 -2.112898819e+00 3.64 -1.309014967e+00 -1.828210851e+00 -2.073226470e+00 3.66 -1.157556915e+00 -1.793317434e+00 -2.034174660e+00 3.68 -1.061609676e+00 -1.759021046e+00 -1.995749944e+00 3.70 -1.037409559e+00 -1.725319727e+00 -1.957957748e+00 3.72 -1.013832350e+00 -1.692210809e+00 -1.920802446e+00 3.74 -9.908694129e-01 -1.659690977e+00 -1.884287447e+00 3.76 -9.685120267e-01 -1.627756329e+00 -1.848415264e+00 3.78 -9.467514119e-01 -1.596402429e+00 -1.813187587e+00 3.80 -9.255787463e-01 -1.565624354e+00 -1.778605346e+00 3.82 -9.049851817e-01 -1.535419882e+00 -1.744668774e+00 3.84 -8.849618574e-01 -1.506064812e+00 -1.711377463e+00 3.86 -8.654999122e-01 -1.478291125e+00 -1.678730417e+00 3.88 -8.465904943e-01 -1.448062636e+00 -1.646726102e+00 3.90 -8.282247686e-01 -1.414889167e+00 -1.615362494e+00 3.92 -8.103939223e-01 -1.388806048e+00 -1.584637118e+00 3.94 -7.930870361e-01 -1.363214396e+00 -1.554547090e+00 3.96 -7.744698940e-01 -1.338106711e+00 -1.525089155e+00 3.98 -7.398004884e-01 -1.313475396e+00 -1.496259716e+00 4.00 -6.513127517e-01 -1.289312772e+00 -1.468054873e+00 4.02 -4.755728981e-01 -1.265611101e+00 -1.440470442e+00 4.04 -4.373409301e-01 -1.242362599e+00 -1.413501986e+00 4.06 -4.285376191e-01 -1.219559454e+00 -1.387144838e+00 4.08 -4.199080904e-01 -1.197193841e+00 -1.361394120e+00 4.10 -4.114491668e-01 -1.175257933e+00 -1.336244762e+00 4.12 -4.031577054e-01 -1.153743916e+00 -1.311691519e+00 4.14 -3.950305995e-01 -1.132643998e+00 -1.287728979e+00 4.16 -3.870647798e-01 -1.111950420e+00 -1.264351583e+00 4.18 -3.792572159e-01 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