# 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 = CoCu3 # 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 nan nan nan 0.92 nan nan nan 0.94 -4.126598992e+02 nan nan 0.96 -3.872198155e+02 nan nan 0.98 -3.629039448e+02 nan nan 1.00 -3.400314412e+02 nan nan 1.02 -3.185437288e+02 nan nan 1.04 -2.982578957e+02 -3.988258583e+02 nan 1.06 -2.793675706e+02 -3.770614876e+02 -4.133128806e+02 1.08 -2.624845172e+02 -3.563667591e+02 -3.897957341e+02 1.10 -2.463844574e+02 -3.365104388e+02 -3.655491495e+02 1.12 -2.312573666e+02 -3.162487913e+02 -3.419064529e+02 1.14 -2.167219939e+02 -2.954314670e+02 -3.200240147e+02 1.16 -2.043192864e+02 -2.755540437e+02 -3.005484123e+02 1.18 -1.931256767e+02 -2.569607378e+02 -2.831250516e+02 1.20 -1.827929559e+02 -2.413547857e+02 -2.679141610e+02 1.22 -1.722634987e+02 -2.290243910e+02 -2.553664060e+02 1.24 -1.618347183e+02 -2.181287549e+02 -2.438524905e+02 1.26 -1.514745220e+02 -2.071340579e+02 -2.327232863e+02 1.28 -1.416045422e+02 -1.973471455e+02 -2.211204108e+02 1.30 -1.325184738e+02 -1.877661497e+02 -2.091569073e+02 1.32 -1.238201402e+02 -1.782089831e+02 -1.975702650e+02 1.34 -1.149361802e+02 -1.681232346e+02 -1.859545067e+02 1.36 -1.064764763e+02 -1.584379273e+02 -1.750598794e+02 1.38 -9.818394645e+01 -1.493889052e+02 -1.651471944e+02 1.40 -8.975702465e+01 -1.418226055e+02 -1.557973246e+02 1.42 -8.136044400e+01 -1.346580959e+02 -1.470411502e+02 1.44 -7.350958678e+01 -1.272442966e+02 -1.388432042e+02 1.46 -6.660133322e+01 -1.199452668e+02 -1.319703503e+02 1.48 -5.985308769e+01 -1.122159450e+02 -1.260188296e+02 1.50 -5.282632689e+01 -1.046296708e+02 -1.203472169e+02 1.52 -4.534831431e+01 -9.749388972e+01 -1.140129731e+02 1.54 -3.826250882e+01 -9.075899814e+01 -1.065157558e+02 1.56 -3.150219598e+01 -8.404176815e+01 -9.869259533e+01 1.58 -2.529863343e+01 -7.692636475e+01 -9.057770339e+01 1.60 -1.940932367e+01 -6.890103938e+01 -8.263708249e+01 1.62 -1.353363431e+01 -5.977974007e+01 -7.488133190e+01 1.64 -8.497624732e+00 -5.021698003e+01 -6.718520533e+01 1.66 -4.830702582e+00 -4.116890292e+01 -5.944266342e+01 1.68 -2.151918559e+00 -3.264543003e+01 -5.257608506e+01 1.70 -4.464441741e-01 -2.487463572e+01 -4.560557617e+01 1.72 3.950832272e-01 -1.788296036e+01 -3.889100984e+01 1.74 6.912919288e-01 -1.195302788e+01 -3.261695592e+01 1.76 6.905819892e-01 -7.224619817e+00 -2.660940561e+01 1.78 5.139673520e-01 -4.003779513e+00 -2.094624375e+01 1.80 2.513569627e-01 -1.938193742e+00 -1.553234882e+01 1.82 -4.028363318e-02 -5.673062316e-01 -1.061487333e+01 1.84 -3.503946918e-01 3.000855217e-01 -6.103248941e+00 1.86 -6.880888480e-01 7.984291527e-01 -2.754274814e+00 1.88 -1.042203754e+00 9.985895031e-01 -6.110775024e-01 1.90 -1.389723915e+00 9.910905740e-01 5.660238384e-01 1.92 -1.714698543e+00 8.571044828e-01 1.151468995e+00 1.94 -2.004948157e+00 6.488827397e-01 1.341335955e+00 1.96 -2.271091295e+00 3.917078861e-01 1.281240361e+00 1.98 -2.486241979e+00 9.897476456e-02 1.064071048e+00 2.00 -2.662157459e+00 -2.290396800e-01 7.366346033e-01 2.02 -2.804801321e+00 -5.863252950e-01 3.434584911e-01 2.04 -2.920149827e+00 -9.530512342e-01 -3.956471076e-02 2.06 -3.017076626e+00 -1.328019528e+00 -3.891240683e-01 2.08 -3.100285543e+00 -1.700906003e+00 -6.925986324e-01 2.10 -3.172299751e+00 -2.055750912e+00 -9.651917265e-01 2.12 -3.236178976e+00 -2.371721789e+00 -1.229818876e+00 2.14 -3.298919374e+00 -2.657706679e+00 -1.503308044e+00 2.16 -3.355532477e+00 -2.872951964e+00 -1.776236808e+00 2.18 -3.407355937e+00 -3.034666867e+00 -2.042361407e+00 2.20 -3.457934158e+00 -3.155030344e+00 -2.291381673e+00 2.22 -3.500251236e+00 -3.246714098e+00 -2.516459917e+00 2.24 -3.533710696e+00 -3.318742418e+00 -2.716128432e+00 2.26 -3.560377810e+00 -3.374356221e+00 -2.890998525e+00 2.28 -3.578430805e+00 -3.413035102e+00 -3.067019400e+00 2.30 -3.588122144e+00 -3.437271009e+00 -3.213462619e+00 2.32 -3.590227038e+00 -3.453222456e+00 -3.342662052e+00 2.34 -3.585602140e+00 -3.478499463e+00 -3.454500889e+00 2.36 -3.575526223e+00 -3.499169943e+00 -3.548743672e+00 2.38 -3.561259428e+00 -3.522517476e+00 -3.624980529e+00 2.40 -3.543362388e+00 -3.552263078e+00 -3.682536914e+00 2.42 -3.521174554e+00 -3.578816455e+00 -3.720963602e+00 2.44 -3.493716345e+00 -3.601908407e+00 -3.741435693e+00 2.46 -3.460839826e+00 -3.618828314e+00 -3.750045642e+00 2.48 -3.423225518e+00 -3.628519171e+00 -3.750974859e+00 2.50 -3.382085013e+00 -3.631492497e+00 -3.750807619e+00 2.52 -3.338592595e+00 -3.628784178e+00 -3.751409839e+00 2.54 -3.293435680e+00 -3.621001369e+00 -3.751716069e+00 2.56 -3.249460455e+00 -3.608769352e+00 -3.749675619e+00 2.58 -3.202781897e+00 -3.592741161e+00 -3.743233162e+00 2.60 -3.152595258e+00 -3.574919504e+00 -3.730559432e+00 2.62 -3.100015238e+00 -3.554681504e+00 -3.711166502e+00 2.64 -3.043616235e+00 -3.533324455e+00 -3.685745685e+00 2.66 -2.985027006e+00 -3.511379896e+00 -3.654898033e+00 2.68 -2.925123642e+00 -3.488927662e+00 -3.618983825e+00 2.70 -2.870704680e+00 -3.465730793e+00 -3.585688396e+00 2.72 -2.814326765e+00 -3.441407300e+00 -3.545846805e+00 2.74 -2.759955385e+00 -3.415578928e+00 -3.503746063e+00 2.76 -2.708607603e+00 -3.388031608e+00 -3.459931772e+00 2.78 -2.661355666e+00 -3.358591211e+00 -3.414947355e+00 2.80 -2.619014384e+00 -3.326918725e+00 -3.369357437e+00 2.82 -2.581447446e+00 -3.292553568e+00 -3.323811921e+00 2.84 -2.547687552e+00 -3.255007667e+00 -3.278849741e+00 2.86 -2.516223452e+00 -3.214100966e+00 -3.234951816e+00 2.88 -2.485125176e+00 -3.170133700e+00 -3.192528459e+00 2.90 -2.452447022e+00 -3.123189659e+00 -3.151898781e+00 2.92 -2.416610543e+00 -3.072773588e+00 -3.113295805e+00 2.94 -2.376692796e+00 -3.018350023e+00 -3.076860607e+00 2.96 -2.332492741e+00 -2.959552343e+00 -3.042585483e+00 2.98 -2.284265089e+00 -2.896228103e+00 -3.009963056e+00 3.00 -2.235188634e+00 -2.829975465e+00 -2.979682188e+00 3.02 -2.184602490e+00 -2.761939860e+00 -2.951546197e+00 3.04 -2.132054868e+00 -2.689631009e+00 -2.922769543e+00 3.06 -2.079302210e+00 -2.615518682e+00 -2.894380467e+00 3.08 -2.026822060e+00 -2.540721199e+00 -2.865570295e+00 3.10 -1.974807453e+00 -2.466068040e+00 -2.834841365e+00 3.12 -1.923233575e+00 -2.392220056e+00 -2.800315775e+00 3.14 -1.871905301e+00 -2.337911030e+00 -2.759981043e+00 3.16 -1.820474292e+00 -2.279922787e+00 -2.712036996e+00 3.18 -1.768518024e+00 -2.228617951e+00 -2.655302949e+00 3.20 -1.715431525e+00 -2.184233348e+00 -2.589581561e+00 3.22 -1.678524959e+00 -2.146330423e+00 -2.515820695e+00 3.24 -1.632208930e+00 -2.113889291e+00 -2.435822015e+00 3.26 -1.586435967e+00 -2.085408793e+00 -2.351797537e+00 3.28 -1.540994137e+00 -2.059041467e+00 -2.265948317e+00 3.30 -1.495656544e+00 -2.032811592e+00 -2.180188736e+00 3.32 -1.450182595e+00 -2.004889451e+00 -2.095934895e+00 3.34 -1.408821496e+00 -1.973866730e+00 -2.014044520e+00 3.36 -1.365011846e+00 -1.939011515e+00 -1.934892620e+00 3.38 -1.321217947e+00 -1.900344326e+00 -1.858533936e+00 3.40 -1.277313846e+00 -1.858482317e+00 -1.784816929e+00 3.42 -1.233168087e+00 -1.814387136e+00 -1.713435076e+00 3.44 -1.188653180e+00 -1.769183243e+00 -1.643949670e+00 3.46 -1.143677028e+00 -1.723936824e+00 -1.575804652e+00 3.48 -1.098241796e+00 -1.679484964e+00 -1.540902646e+00 3.50 -1.052356063e+00 -1.636349818e+00 -1.491842313e+00 3.52 -1.006031032e+00 -1.594728965e+00 -1.447995736e+00 3.54 -9.592795519e-01 -1.554542381e+00 -1.409394186e+00 3.56 -9.121156592e-01 -1.515512430e+00 -1.376009874e+00 3.58 -8.645553357e-01 -1.477260416e+00 -1.347756376e+00 3.60 -8.166169575e-01 -1.439372837e+00 -1.324487000e+00 3.62 -7.683218549e-01 -1.401415314e+00 -1.305990433e+00 3.64 -7.196961031e-01 -1.362941591e+00 -1.291988643e+00 3.66 -6.707752808e-01 -1.323524372e+00 -1.282138656e+00 3.68 -6.216004429e-01 -1.295444758e+00 -1.276008540e+00 3.70 -5.722168004e-01 -1.260092508e+00 -1.273042537e+00 3.72 -5.226488743e-01 -1.224856260e+00 -1.272512294e+00 3.74 -4.728965918e-01 -1.189627282e+00 -1.273572674e+00 3.76 -4.229699279e-01 -1.154289862e+00 -1.275290447e+00 3.78 -3.729174031e-01 -1.118720734e+00 -1.276678258e+00 3.80 -3.228018960e-01 -1.082788581e+00 -1.276748296e+00 3.82 -2.726928926e-01 -1.046353110e+00 -1.274581788e+00 3.84 -2.226672829e-01 -1.009264076e+00 -1.269402668e+00 3.86 -1.728151322e-01 -9.713741956e-01 -1.260656381e+00 3.88 -1.232751672e-01 -9.326513472e-01 -1.248175974e+00 3.90 -7.488687116e-02 -8.931289355e-01 -1.232104609e+00 3.92 -3.004499764e-02 -8.528462504e-01 -1.212774016e+00 3.94 9.224415604e-03 -8.118402918e-01 -1.190616634e+00 3.96 4.160669114e-02 -7.701383946e-01 -1.166108744e+00 3.98 6.649197768e-02 -7.277719577e-01 -1.139707073e+00 4.00 8.367677327e-02 -6.847785228e-01 -1.111795291e+00 4.02 8.739883276e-02 -6.412027785e-01 -1.082653702e+00 4.04 6.726267635e-02 -5.970972095e-01 -1.052449585e+00 4.06 1.491365187e-02 -5.525227777e-01 -1.021243933e+00 4.08 -7.563800285e-02 -5.075497255e-01 -9.890085290e-01 4.10 -2.081859626e-01 -4.622581886e-01 -9.556497761e-01 4.12 -3.845225466e-01 -4.167387383e-01 -9.210355558e-01 4.14 -6.046646547e-01 -3.710862652e-01 -8.850204584e-01 4.16 -8.671117978e-01 -3.253961602e-01 -8.474554719e-01 4.18 -1.169107312e+00 -2.797748367e-01 -8.081883379e-01 4.20 -1.506886860e+00 -2.343458234e-01 -7.670707684e-01 4.22 -1.875866098e+00 -1.892698354e-01 -7.239885242e-01 4.24 -2.270748386e+00 -1.447284404e-01 -6.788366245e-01 4.26 -2.685527644e+00 -1.016174485e-01 -6.409792712e-01 4.28 -3.113461346e+00 -6.424060024e-02 -5.956938988e-01 4.30 -3.546680604e+00 -3.740239833e-02 -5.492244280e-01 4.32 -3.975822440e+00 -2.446512269e-02 -5.016360141e-01 4.34 -4.389954590e+00 -2.723618098e-02 -4.530015855e-01 4.36 -4.776759392e+00 -4.601014739e-02 -4.034025890e-01 4.38 -5.123030903e+00 -7.967888952e-02 -3.529290708e-01 4.40 -5.415423641e+00 -1.259112706e-01 -3.016806568e-01 4.42 -5.641353670e+00 -1.814027420e-01 -2.497661465e-01 4.44 -5.789865276e+00 -2.421905878e-01 -1.973046490e-01 4.46 -5.852361894e+00 -3.044943021e-01 -1.444251222e-01 4.48 -5.823150423e+00 -3.652517760e-01 -9.261206538e-02 4.50 -5.699826362e+00 -4.215996890e-01 -4.935083936e-02 4.52 -5.483551603e+00 -4.711846271e-01 -2.294414481e-02 4.54 -5.179198048e+00 -5.128450489e-01 -2.045468034e-02 4.56 -4.795432490e+00 -5.468378143e-01 -4.804663148e-02 4.58 -4.344627473e+00 -5.745328888e-01 -1.133666003e-01 4.60 -3.842545726e+00 -5.981904807e-01 -2.235306664e-01 4.62 -3.307792838e+00 -6.206968135e-01 -3.837983314e-01 4.64 -2.760957240e+00 -6.452710367e-01 -5.975443068e-01 4.66 -2.223467911e+00 -6.751837871e-01 -8.662512840e-01 4.68 -1.716869962e+00 -7.135306328e-01 -1.189523687e+00 4.70 -1.260787213e+00 -7.630624577e-01 -1.565127221e+00 4.72 -8.697048050e-01 -8.260458833e-01 -1.989046045e+00 4.74 -5.517096670e-01 -9.041282390e-01 -2.455572219e+00 4.76 -3.080685941e-01 -9.981657860e-01 -2.957414804e+00 4.78 -1.337302442e-01 -1.108012247e+00 -3.485820085e+00 4.80 -1.873346747e-02 -1.232320958e+00 -4.030746072e+00 4.82 4.972548467e-02 -1.368411108e+00 -4.581060742e+00 4.84 8.502212157e-02 -1.512279738e+00 -5.124764164e+00 4.86 9.915869954e-02 -1.658779529e+00 -5.649247538e+00 4.88 1.015368340e-01 -1.801945376e+00 -6.141570221e+00 4.90 9.621483997e-02 -1.935453873e+00 -6.588778081e+00 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