# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--LAMMPS--ipr1 # composition = Cu3Ni # 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 5.985863873e+02 nan nan 0.92 5.388202166e+02 nan nan 0.94 4.854031454e+02 nan nan 0.96 4.376330616e+02 nan nan 0.98 3.948550314e+02 nan nan 1.00 3.564771575e+02 5.484371815e+02 6.221824183e+02 1.02 3.219683930e+02 4.986681614e+02 5.665606604e+02 1.04 2.908435463e+02 4.533884150e+02 5.163113332e+02 1.06 2.626776210e+02 4.121662439e+02 4.708202630e+02 1.08 2.371218100e+02 3.746220152e+02 4.295209816e+02 1.10 2.139165511e+02 3.404155119e+02 3.919069421e+02 1.12 1.928345066e+02 3.092410915e+02 3.575427700e+02 1.14 1.736798553e+02 2.808345009e+02 3.261254892e+02 1.16 1.562762784e+02 2.549489876e+02 2.974052139e+02 1.18 1.404645469e+02 2.313610623e+02 2.711470951e+02 1.20 1.261028677e+02 2.098707508e+02 2.471344088e+02 1.22 1.130627001e+02 1.902937614e+02 2.251712144e+02 1.24 1.012283249e+02 1.724529513e+02 2.050756897e+02 1.26 9.049737450e+01 1.561921625e+02 1.866812166e+02 1.28 8.077971027e+01 1.413711874e+02 1.698386058e+02 1.30 7.199164556e+01 1.278622087e+02 1.544138886e+02 1.32 6.405673463e+01 1.155494063e+02 1.402863202e+02 1.34 5.690644527e+01 1.043322694e+02 1.273474265e+02 1.36 5.047697585e+01 9.411951727e+01 1.154937557e+02 1.38 4.470900369e+01 8.482843300e+01 1.046341824e+02 1.40 3.943185686e+01 7.638324754e+01 9.468898541e+01 1.42 3.465700907e+01 6.871507780e+01 8.558829989e+01 1.44 3.039257255e+01 6.176043080e+01 7.726776711e+01 1.46 2.659593591e+01 5.546114831e+01 6.966953319e+01 1.48 2.322403340e+01 4.976409380e+01 6.273885888e+01 1.50 2.023753465e+01 4.462235902e+01 5.642472135e+01 1.52 1.760090662e+01 3.993364581e+01 5.067932005e+01 1.54 1.528100316e+01 3.561524256e+01 4.546135330e+01 1.56 1.324607011e+01 3.172176421e+01 4.071241930e+01 1.58 1.146483437e+01 2.821562444e+01 3.628498286e+01 1.60 9.906279646e+00 2.505900498e+01 3.227386526e+01 1.62 8.540242479e+00 2.221408801e+01 2.864939874e+01 1.64 7.338450668e+00 1.964753068e+01 2.538281330e+01 1.66 6.274174224e+00 1.732841129e+01 2.244451969e+01 1.68 5.322200240e+00 1.523368609e+01 1.980862080e+01 1.70 4.458242240e+00 1.334539294e+01 1.745060180e+01 1.72 3.662580558e+00 1.164834843e+01 1.534743661e+01 1.74 2.928366077e+00 1.012717383e+01 1.347716123e+01 1.76 2.251460480e+00 8.765912378e+00 1.181831126e+01 1.78 1.626916869e+00 7.548933861e+00 1.034942654e+01 1.80 1.050536251e+00 6.461037333e+00 9.048829782e+00 1.82 5.190196344e-01 5.487587957e+00 7.894963443e+00 1.84 2.998399694e-02 4.614641376e+00 6.866465179e+00 1.86 -4.184324413e-01 3.828778105e+00 5.943330051e+00 1.88 -8.278703341e-01 3.116450872e+00 5.106484061e+00 1.90 -1.199885435e+00 2.464307362e+00 4.337451770e+00 1.92 -1.536063558e+00 1.860720465e+00 3.620882984e+00 1.94 -1.838130217e+00 1.299943930e+00 2.951833743e+00 1.96 -2.108098771e+00 7.793158275e-01 2.328434898e+00 1.98 -2.348343235e+00 2.970093509e-01 1.749007786e+00 2.00 -2.561184169e+00 -1.483419854e-01 1.210870701e+00 2.02 -2.748539725e+00 -5.581990295e-01 7.116868524e-01 2.04 -2.912155678e+00 -9.340516578e-01 2.490951409e-01 2.06 -3.053644290e+00 -1.277132027e+00 -1.791048789e-01 2.08 -3.174944252e+00 -1.588809612e+00 -5.747983076e-01 2.10 -3.278561323e+00 -1.870589295e+00 -9.395234612e-01 2.12 -3.366195122e+00 -2.124229421e+00 -1.274561272e+00 2.14 -3.439215063e+00 -2.351580065e+00 -1.581143451e+00 2.16 -3.498759563e+00 -2.554689349e+00 -1.860641259e+00 2.18 -3.545789284e+00 -2.735440563e+00 -2.114519797e+00 2.20 -3.581125582e+00 -2.895430724e+00 -2.344116746e+00 2.22 -3.605488525e+00 -3.036104733e+00 -2.550912815e+00 2.24 -3.619538629e+00 -3.158829800e+00 -2.736408565e+00 2.26 -3.623968782e+00 -3.264927230e+00 -2.901797777e+00 2.28 -3.620223088e+00 -3.355663492e+00 -3.048129307e+00 2.30 -3.609315900e+00 -3.432223319e+00 -3.176296475e+00 2.32 -3.592037513e+00 -3.495746292e+00 -3.287311972e+00 2.34 -3.569150221e+00 -3.547710823e+00 -3.382867018e+00 2.36 -3.541416433e+00 -3.589147366e+00 -3.464199265e+00 2.38 -3.509515089e+00 -3.620896630e+00 -3.532437299e+00 2.40 -3.473809102e+00 -3.643701888e+00 -3.588703946e+00 2.42 -3.434501215e+00 -3.658226892e+00 -3.633838662e+00 2.44 -3.391920886e+00 -3.665058325e+00 -3.668730606e+00 2.46 -3.346482677e+00 -3.664714355e+00 -3.694271271e+00 2.48 -3.298602407e+00 -3.658241007e+00 -3.711261368e+00 2.50 -3.248684868e+00 -3.646550198e+00 -3.720391326e+00 2.52 -3.197119328e+00 -3.630203658e+00 -3.722262896e+00 2.54 -3.144265639e+00 -3.609725296e+00 -3.717387831e+00 2.56 -3.090440183e+00 -3.585577736e+00 -3.706678395e+00 2.58 -3.035921417e+00 -3.558146694e+00 -3.690941200e+00 2.60 -2.980962090e+00 -3.527710951e+00 -3.670636328e+00 2.62 -2.925803921e+00 -3.494500599e+00 -3.646231332e+00 2.64 -2.870688460e+00 -3.458785901e+00 -3.618224816e+00 2.66 -2.815848025e+00 -3.420802688e+00 -3.587055393e+00 2.68 -2.761393354e+00 -3.380664451e+00 -3.552944164e+00 2.70 -2.707398580e+00 -3.338456231e+00 -3.516119296e+00 2.72 -2.653912963e+00 -3.294265278e+00 -3.476855453e+00 2.74 -2.600914975e+00 -3.248242908e+00 -3.435451130e+00 2.76 -2.548332206e+00 -3.200598272e+00 -3.392211187e+00 2.78 -2.495977884e+00 -3.151568472e+00 -3.347417769e+00 2.80 -2.443543523e+00 -3.101412074e+00 -3.301308175e+00 2.82 -2.391073723e+00 -3.050396824e+00 -3.254146940e+00 2.84 -2.338563099e+00 -2.998782764e+00 -3.206173586e+00 2.86 -2.286022434e+00 -2.946806572e+00 -3.157599633e+00 2.88 -2.233486094e+00 -2.894670967e+00 -3.108617358e+00 2.90 -2.181007732e+00 -2.842541620e+00 -3.059391083e+00 2.92 -2.128657354e+00 -2.790558757e+00 -3.010047227e+00 2.94 -2.076494763e+00 -2.738829848e+00 -2.960665952e+00 2.96 -2.024555119e+00 -2.687174565e+00 -2.911278173e+00 2.98 -1.972857796e+00 -2.635579910e+00 -2.861854116e+00 3.00 -1.921424734e+00 -2.584086066e+00 -2.812304789e+00 3.02 -1.870282444e+00 -2.532725576e+00 -2.762556950e+00 3.04 -1.819461546e+00 -2.481524090e+00 -2.712581983e+00 3.06 -1.768995996e+00 -2.430576528e+00 -2.662376500e+00 3.08 -1.718919590e+00 -2.379973617e+00 -2.611961863e+00 3.10 -1.669264557e+00 -2.329722297e+00 -2.561378472e+00 3.12 -1.620063710e+00 -2.279811837e+00 -2.510676721e+00 3.14 -1.571350288e+00 -2.230215004e+00 -2.459935001e+00 3.16 -1.523157507e+00 -2.180891967e+00 -2.409322771e+00 3.18 -1.475518263e+00 -2.131797260e+00 -2.358903491e+00 3.20 -1.428464769e+00 -2.082890212e+00 -2.308711961e+00 3.22 -1.382028282e+00 -2.034144353e+00 -2.258769992e+00 3.24 -1.336240588e+00 -1.985553027e+00 -2.209099536e+00 3.26 -1.291134202e+00 -1.937130188e+00 -2.159724537e+00 3.28 -1.246739995e+00 -1.888907092e+00 -2.110671313e+00 3.30 -1.203086959e+00 -1.840924022e+00 -2.061964395e+00 3.32 -1.160201854e+00 -1.793223302e+00 -2.013624829e+00 3.34 -1.118109244e+00 -1.745848363e+00 -1.965676493e+00 3.36 -1.076831347e+00 -1.698840136e+00 -1.918146800e+00 3.38 -1.036387979e+00 -1.652234060e+00 -1.871066892e+00 3.40 -9.967964938e-01 -1.606059092e+00 -1.824430545e+00 3.42 -9.580717813e-01 -1.560342107e+00 -1.778138221e+00 3.44 -9.202262654e-01 -1.515109929e+00 -1.732207324e+00 3.46 -8.832699965e-01 -1.470389120e+00 -1.686667210e+00 3.48 -8.472106381e-01 -1.426205745e+00 -1.641549316e+00 3.50 -8.120535338e-01 -1.382585162e+00 -1.596886790e+00 3.52 -7.778018163e-01 -1.339551824e+00 -1.552713725e+00 3.54 -7.444565463e-01 -1.297129173e+00 -1.509064054e+00 3.56 -7.120168183e-01 -1.255339430e+00 -1.465970060e+00 3.58 -6.804798447e-01 -1.214203386e+00 -1.423460568e+00 3.60 -6.498409901e-01 -1.173740572e+00 -1.381559236e+00 3.62 -6.200937961e-01 -1.133969741e+00 -1.340284491e+00 3.64 -5.912302507e-01 -1.094909179e+00 -1.299649057e+00 3.66 -5.632411897e-01 -1.056575581e+00 -1.259659374e+00 3.68 -5.361163094e-01 -1.018984276e+00 -1.220316841e+00 3.70 -5.098436764e-01 -9.821505948e-01 -1.181620769e+00 3.72 -4.844105621e-01 -9.460886401e-01 -1.143570407e+00 3.74 -4.598037779e-01 -9.108108410e-01 -1.106167335e+00 3.76 -4.360088945e-01 -8.763280211e-01 -1.069416224e+00 3.78 -4.130115252e-01 -8.426494152e-01 -1.033324992e+00 3.80 -3.907969923e-01 -8.097827361e-01 -9.979041868e-01 3.82 -3.693544517e-01 -7.777342380e-01 -9.631658905e-01 3.84 -3.486724375e-01 -7.465087752e-01 -9.291225310e-01 3.86 -3.287421249e-01 -7.161099103e-01 -8.957857853e-01 3.88 -3.095522620e-01 -6.865399647e-01 -8.631655858e-01 3.90 -2.910957176e-01 -6.578001827e-01 -8.312693022e-01 3.92 -2.733642023e-01 -6.298910045e-01 -8.001013336e-01 3.94 -2.563504232e-01 -6.028117735e-01 -7.696640663e-01 3.96 -2.400543965e-01 -5.765604042e-01 -7.399585635e-01 3.98 -2.244683267e-01 -5.511336416e-01 -7.109846651e-01 4.00 -2.095965684e-01 -5.265278514e-01 -6.827410722e-01 4.02 -1.954454160e-01 -5.027382290e-01 -6.552250744e-01 4.04 -1.820120453e-01 -4.797602269e-01 -6.284326385e-01 4.06 -1.693102047e-01 -4.575891880e-01 -6.023592114e-01 4.08 -1.573572082e-01 -4.362201516e-01 -5.769993600e-01 4.10 -1.461498188e-01 -4.156487044e-01 -5.523460065e-01 4.12 -1.356926852e-01 -3.958706665e-01 -5.283918808e-01 4.14 -1.260123705e-01 -3.768823413e-01 -5.051290395e-01 4.16 -1.171097704e-01 -3.586498081e-01 -4.825482168e-01 4.18 -1.089504970e-01 -3.410455435e-01 -4.606403443e-01 4.20 -1.015128691e-01 -3.240488191e-01 -4.393951431e-01 4.22 -9.479958525e-02 -3.076480564e-01 -4.188023547e-01 4.24 -8.879847766e-02 -2.918364187e-01 -3.988511280e-01 4.26 -8.346244951e-02 -2.766020218e-01 -3.795322380e-01 4.28 -7.874283599e-02 -2.619392017e-01 -3.608376146e-01 4.30 -7.449854757e-02 -2.478441031e-01 -3.427581428e-01 4.32 -7.048515176e-02 -2.343063391e-01 -3.252865787e-01 4.34 -6.667290115e-02 -2.213274605e-01 -3.084121978e-01 4.36 -6.304117248e-02 -2.089039167e-01 -2.921283726e-01 4.38 -5.957464342e-02 -1.970232820e-01 -2.764255329e-01 4.40 -5.626088729e-02 -1.856863197e-01 -2.612933095e-01 4.42 -5.309176563e-02 -1.748902500e-01 -2.467272851e-01 4.44 -5.006331857e-02 -1.646121822e-01 -2.327158676e-01 4.46 -4.717473398e-02 -1.548342332e-01 -2.192493331e-01 4.48 -4.442739657e-02 -1.455553364e-01 -2.063258551e-01 4.50 -4.182389222e-02 -1.367597691e-01 -1.939349480e-01 4.52 -3.936701354e-02 -1.284071496e-01 -1.820639416e-01 4.54 -3.705939541e-02 -1.204627757e-01 -1.707126417e-01 4.56 -3.489871803e-02 -1.129149591e-01 -1.598793632e-01 4.58 -3.288424919e-02 -1.057587460e-01 -1.495477791e-01 4.60 -3.102001495e-02 -9.898237052e-02 -1.397056995e-01 4.62 -2.930321222e-02 -9.256079387e-02 -1.303614650e-01 4.64 -2.772487282e-02 -8.647187800e-02 -1.215202086e-01 4.66 -2.627363702e-02 -8.070140289e-02 -1.131610314e-01 4.68 -2.493945936e-02 -7.524662799e-02 -1.052615519e-01 4.70 -2.371057001e-02 -7.010698843e-02 -9.782358686e-02 4.72 -2.257422012e-02 -6.528330337e-02 -9.086324677e-02 4.74 -2.151756764e-02 -6.077649023e-02 -8.438751005e-02 4.76 -2.052882969e-02 -5.658866379e-02 -7.838276188e-02 4.78 -1.959784677e-02 -5.272345829e-02 -7.283649451e-02 4.80 -1.871622539e-02 -4.915831001e-02 -6.771077656e-02 4.82 -1.787745207e-02 -4.575716732e-02 -6.280817805e-02 4.84 -1.707686430e-02 -4.249935905e-02 -5.810133134e-02 4.86 -1.631152831e-02 -3.938471226e-02 -5.359069232e-02 4.88 -1.558006476e-02 -3.641377418e-02 -4.927803442e-02 4.90 -1.488245198e-02 -3.358652733e-02 -4.516488433e-02 4.92 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