# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Pd3Ta # 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 2024-04-11 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.320411514e+02 nan nan 1.16 3.987477451e+02 nan nan 1.18 3.680965529e+02 nan nan 1.20 3.398561614e+02 nan nan 1.22 3.138168981e+02 nan nan 1.24 2.897890964e+02 nan nan 1.26 2.676003605e+02 nan nan 1.28 2.470933122e+02 3.767218773e+02 4.296674231e+02 1.30 2.281248724e+02 3.500423000e+02 3.999188765e+02 1.32 2.105657054e+02 3.252854282e+02 3.722778209e+02 1.34 1.942989123e+02 3.022978052e+02 3.465780863e+02 1.36 1.792189435e+02 2.809357896e+02 3.226671139e+02 1.38 1.652315258e+02 2.610671080e+02 3.004056088e+02 1.40 1.522535756e+02 2.425724262e+02 2.796678786e+02 1.42 1.402116114e+02 2.253453523e+02 2.603418429e+02 1.44 1.290386694e+02 2.092910907e+02 2.423276393e+02 1.46 1.186712498e+02 1.943249708e+02 2.255348566e+02 1.48 1.090478055e+02 1.803711827e+02 2.098793573e+02 1.50 1.001090246e+02 1.673611444e+02 1.952809934e+02 1.52 9.179909048e+01 1.552314326e+02 1.816628710e+02 1.54 8.406692177e+01 1.439219946e+02 1.689517229e+02 1.56 7.686675521e+01 1.333752700e+02 1.570786621e+02 1.58 7.015793419e+01 1.235362193e+02 1.459799441e+02 1.60 6.390544528e+01 1.143527888e+02 1.355974945e+02 1.62 5.808130051e+01 1.057763086e+02 1.258789474e+02 1.64 5.265629814e+01 9.776166163e+01 1.167772287e+02 1.66 4.763736364e+01 9.026733781e+01 1.082499899e+02 1.68 4.302459053e+01 8.325542874e+01 1.002590691e+02 1.70 3.878828900e+01 7.669141634e+01 9.276988759e+01 1.72 3.490020203e+01 7.054366893e+01 8.575070054e+01 1.74 3.133318727e+01 6.478358829e+01 7.917184538e+01 1.76 2.806125457e+01 5.938770288e+01 7.300523974e+01 1.78 2.505981447e+01 5.433040387e+01 6.722423456e+01 1.80 2.230597957e+01 4.959485442e+01 6.180574236e+01 1.82 1.977880876e+01 4.518970226e+01 5.672959173e+01 1.84 1.745941585e+01 4.110279845e+01 5.197329275e+01 1.86 1.533090656e+01 3.731242718e+01 4.753953557e+01 1.88 1.337817622e+01 3.379903990e+01 4.342736318e+01 1.90 1.158764802e+01 3.054483405e+01 3.961263759e+01 1.92 9.947029301e+00 2.753338058e+01 3.607313863e+01 1.94 8.445127589e+00 2.474934244e+01 3.278851031e+01 1.96 7.071729679e+00 2.217827441e+01 2.974011530e+01 1.98 5.817519787e+00 1.980646589e+01 2.691085667e+01 2.00 4.674003248e+00 1.762079649e+01 2.428502500e+01 2.02 3.633408832e+00 1.560861161e+01 2.184819886e+01 2.04 2.688561218e+00 1.375765251e+01 1.958719022e+01 2.06 1.832736378e+00 1.205606711e+01 1.749000547e+01 2.08 1.059526032e+00 1.049249299e+01 1.554579065e+01 2.10 3.627369392e-01 9.056175247e+00 1.374474094e+01 2.12 -2.636608585e-01 7.737076954e+00 1.207796745e+01 2.14 -8.255366461e-01 6.525953221e+00 1.053732765e+01 2.16 -1.328561637e+00 5.414377248e+00 9.115238048e+00 2.18 -1.778145324e+00 4.394720618e+00 7.804495886e+00 2.20 -2.179276820e+00 3.460097934e+00 6.598136437e+00 2.22 -2.536599790e+00 2.604288576e+00 5.489345540e+00 2.24 -2.854555834e+00 1.821647115e+00 4.471435949e+00 2.26 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-4.554730912e+00 -4.471252997e+00 -4.220916700e+00 2.64 -4.517503805e+00 -4.548272333e+00 -4.345312576e+00 2.66 -4.474665568e+00 -4.611618315e+00 -4.450675282e+00 2.68 -4.426740174e+00 -4.662155774e+00 -4.538108451e+00 2.70 -4.374209427e+00 -4.700690440e+00 -4.608791961e+00 2.72 -4.317533760e+00 -4.727980235e+00 -4.664000540e+00 2.74 -4.257232177e+00 -4.744742728e+00 -4.705097603e+00 2.76 -4.193777411e+00 -4.751660980e+00 -4.733507899e+00 2.78 -4.127570084e+00 -4.749635186e+00 -4.750669802e+00 2.80 -4.058953794e+00 -4.739376008e+00 -4.757974960e+00 2.82 -3.988227436e+00 -4.721795893e+00 -4.756708210e+00 2.84 -3.915654414e+00 -4.697495405e+00 -4.748001286e+00 2.86 -3.841468879e+00 -4.666683315e+00 -4.732898353e+00 2.88 -3.765879591e+00 -4.629641386e+00 -4.712988105e+00 2.90 -3.689072210e+00 -4.586717068e+00 -4.688718223e+00 2.92 -3.611210713e+00 -4.538311902e+00 -4.660200551e+00 2.94 -3.532438469e+00 -4.484879694e+00 -4.627533106e+00 2.96 -3.452879272e+00 -4.426929440e+00 -4.590814046e+00 2.98 -3.372638479e+00 -4.364961519e+00 -4.550151697e+00 3.00 -3.291804282e+00 -4.299486397e+00 -4.505670111e+00 3.02 -3.210449097e+00 -4.230988245e+00 -4.457510713e+00 3.04 -3.128631061e+00 -4.159872890e+00 -4.405834289e+00 3.06 -3.046395619e+00 -4.086472074e+00 -4.350874782e+00 3.08 -2.963777224e+00 -4.011054247e+00 -4.292920850e+00 3.10 -2.880801187e+00 -3.933838063e+00 -4.232246547e+00 3.12 -2.797485715e+00 -3.855006359e+00 -4.169108356e+00 3.14 -2.713844206e+00 -3.774719216e+00 -4.103744735e+00 3.16 -2.629887917e+00 -3.693125498e+00 -4.036376024e+00 3.18 -2.545629146e+00 -3.610372728e+00 -3.967204952e+00 3.20 -2.461085112e+00 -3.526615311e+00 -3.896417901e+00 3.22 -2.376282704e+00 -3.442021035e+00 -3.824186968e+00 3.24 -2.291264168e+00 -3.356775602e+00 -3.750672802e+00 3.26 -2.206093658e+00 -3.271084786e+00 -3.676028033e+00 3.28 -2.120864282e+00 -3.185173824e+00 -3.600400925e+00 3.30 -2.035705045e+00 -3.099283782e+00 -3.523938745e+00 3.32 -1.950786743e+00 -3.013665005e+00 -3.446790184e+00 3.34 -1.866325715e+00 -2.928568178e+00 -3.369106175e+00 3.36 -1.782584323e+00 -2.844233962e+00 -3.291038616e+00 3.38 -1.699867180e+00 -2.760882456e+00 -3.212736880e+00 3.40 -1.618512652e+00 -2.678703760e+00 -3.134342517e+00 3.42 -1.538879752e+00 -2.597850758e+00 -3.055983035e+00 3.44 -1.461331353e+00 -2.518434818e+00 -2.977765949e+00 3.46 -1.386215277e+00 -2.440524623e+00 -2.899774267e+00 3.48 -1.313845358e+00 -2.364147945e+00 -2.822064259e+00 3.50 -1.244484584e+00 -2.289295792e+00 -2.744665810e+00 3.52 -1.178332192e+00 -2.215928258e+00 -2.667585186e+00 3.54 -1.115515906e+00 -2.143981359e+00 -2.590809652e+00 3.56 -1.056089764e+00 -2.073374279e+00 -2.514313333e+00 3.58 -1.000037161e+00 -2.004016556e+00 -2.438063698e+00 3.60 -9.472781865e-01 -1.935814960e+00 -2.362028267e+00 3.62 -8.976799618e-01 -1.868679874e+00 -2.286181257e+00 3.64 -8.510686546e-01 -1.802531110e+00 -2.210510010e+00 3.66 -8.072419648e-01 -1.737303088e+00 -2.135021055e+00 3.68 -7.659811696e-01 -1.672949288e+00 -2.059745610e+00 3.70 -7.270621098e-01 -1.609445837e+00 -1.984744249e+00 3.72 -6.902647772e-01 -1.546794034e+00 -1.910110364e+00 3.74 -6.553813572e-01 -1.485021578e+00 -1.835971979e+00 3.76 -6.222226864e-01 -1.424182287e+00 -1.762491502e+00 3.78 -5.906231096e-01 -1.364354132e+00 -1.689863072e+00 3.80 -5.604436885e-01 -1.305635562e+00 -1.618307363e+00 3.82 -5.315736731e-01 -1.248140238e+00 -1.548063962e+00 3.84 -5.039301307e-01 -1.191990549e+00 -1.479381754e+00 3.86 -4.774556807e-01 -1.137310397e+00 -1.412508017e+00 3.88 -4.521144241e-01 -1.084217936e+00 -1.347677164e+00 3.90 -4.278863714e-01 -1.032818963e+00 -1.285100120e+00 3.92 -4.047609138e-01 -9.832015815e-01 -1.224955281e+00 3.94 -3.827300797e-01 -9.354326460e-01 -1.167381780e+00 3.96 -3.617823960e-01 -8.895562099e-01 -1.112475485e+00 3.98 -3.418980993e-01 -8.455939750e-01 -1.060287828e+00 4.00 -3.230462060e-01 -8.035474689e-01 -1.010827239e+00 4.02 -3.051836337e-01 -7.634014824e-01 -9.640627209e-01 4.04 -2.882562393e-01 -7.251281706e-01 -9.199289802e-01 4.06 -2.722013838e-01 -6.886911856e-01 -8.783324709e-01 4.08 -2.569514921e-01 -6.540492624e-01 -8.391577576e-01 4.10 -2.424380503e-01 -6.211588199e-01 -8.022737148e-01 4.12 -2.285955439e-01 -5.899753392e-01 -7.675391985e-01 4.14 -2.153649409e-01 -5.604534980e-01 -7.348079647e-01 4.16 -2.026964390e-01 -5.325462917e-01 -7.039327223e-01 4.18 -1.905512933e-01 -5.062035066e-01 -6.747683073e-01 4.20 -1.789026230e-01 -4.813700131e-01 -6.471740280e-01 4.22 -1.677351752e-01 -4.579843234e-01 -6.210152750e-01 4.24 -1.570440886e-01 -4.359777468e-01 -5.961645119e-01 4.26 -1.468328012e-01 -4.152743188e-01 -5.725017660e-01 4.28 -1.371103139e-01 -3.957915036e-01 -5.499147376e-01 4.30 -1.278881065e-01 -3.774415330e-01 -5.282986320e-01 4.32 -1.191770444e-01 -3.601331596e-01 -5.075558078e-01 4.34 -1.109846095e-01 -3.437735803e-01 -4.875953197e-01 4.36 -1.033127361e-01 -3.282703172e-01 -4.683324227e-01 4.38 -9.615643182e-02 -3.135328989e-01 -4.496880922e-01 4.40 -8.950324082e-02 -2.994742570e-01 -4.315886060e-01 4.42 -8.333349655e-02 -2.860118154e-01 -4.139652277e-01 4.44 -7.762120056e-02 -2.730682985e-01 -3.967540238e-01 4.46 -7.233535008e-02 -2.605723143e-01 -3.798958425e-01 4.48 -6.744149704e-02 -2.484587845e-01 -3.633364763e-01 4.50 -6.290335137e-02 -2.366692920e-01 -3.470270225e-01 4.52 -5.868426625e-02 -2.251524073e-01 -3.309244459e-01 4.54 -5.474855635e-02 -2.138640388e-01 -3.149923416e-01 4.56 -5.106239166e-02 -2.027678298e-01 -2.992018546e-01 4.58 -4.759498636e-02 -1.918355997e-01 -2.835327290e-01 4.60 -4.431932074e-02 -1.810478010e-01 -2.679743948e-01 4.62 -4.121214094e-02 -1.703939372e-01 -2.525269931e-01 4.64 -3.825422557e-02 -1.598728644e-01 -2.372022081e-01 4.66 -3.543046237e-02 -1.494928817e-01 -2.220237559e-01 4.68 -3.272975106e-02 -1.392715098e-01 -2.070273773e-01 4.70 -3.014474685e-02 -1.292348695e-01 -1.922601943e-01 4.72 -2.767146719e-02 -1.194165946e-01 -1.777793374e-01 4.74 -2.530877545e-02 -1.098562646e-01 -1.636498162e-01 4.76 -2.305776548e-02 -1.005973860e-01 -1.499416924e-01 4.78 -2.092107925e-02 -9.168504632e-02 -1.367267151e-01 4.80 -1.890219588e-02 -8.316338939e-02 -1.240746625e-01 4.82 -1.700458147e-02 -7.507311684e-02 -1.120496945e-01 4.84 -1.523140307e-02 -6.744923192e-02 -1.007070401e-01 4.86 -1.358496715e-02 -6.031921077e-02 -9.009031185e-02 4.88 -1.206621766e-02 -5.370174101e-02 -8.022966693e-02 4.90 -1.067452436e-02 -4.760610147e-02 -7.114090397e-02 4.92 -9.407623057e-03 -4.203220337e-02 -6.282554572e-02 4.94 -8.261689444e-03 -3.697107488e-02 -5.527175754e-02 4.96 -7.231518053e-03 -3.240607663e-02 -4.845594236e-02 4.98 -6.310772199e-03 -2.831438841e-02 -4.234475441e-02 5.00 -5.492270960e-03 -2.466823719e-02 -3.689733905e-02 5.02 -4.768283054e-03 -2.143641340e-02 -3.206760873e-02 5.04 -4.130803945e-03 -1.858547338e-02 -2.780616736e-02 5.06 -3.571799931e-03 -1.608133355e-02 -2.406244971e-02 5.08 -3.083410076e-03 -1.389051919e-02 -2.078657605e-02 5.10 -2.658102873e-03 -1.198051370e-02 -1.792988342e-02 5.12 -2.288789008e-03 -1.032040025e-02 -1.544634520e-02 5.14 -1.968894583e-03 -8.881295813e-03 -1.329305748e-02 5.16 -1.692400801e-03 -7.636607996e-03 -1.143042920e-02 5.18 -1.453856636e-03 -6.562149962e-03 -9.822393230e-03 5.20 -1.248370901e-03 -5.636147173e-03 -8.436442952e-03 5.22 -1.071589446e-03 -4.839165681e-03 -7.243542723e-03 5.24 -9.196624040e-04 -4.153987056e-03 -6.217952369e-03 5.26 -7.892054534e-04 -3.565450119e-03 -5.336997934e-03 5.28 -6.772581753e-04 -3.060275059e-03 -4.580813356e-03 5.30 -5.812418134e-04 -2.626881534e-03 -3.932071342e-03 5.32 -4.989180536e-04 -2.255208990e-03 -3.375716403e-03 5.34 -4.283499118e-04 -1.936544755e-03 -2.898708788e-03 5.36 -3.678653989e-04 -1.663363399e-03 -2.489784803e-03 5.38 -3.160243087e-04 -1.429179277e-03 -2.139236557e-03 5.40 -2.715882544e-04 -1.228413064e-03 -1.838712476e-03 5.42 -2.334939134e-04 -1.056272289e-03 -1.581038640e-03 5.44 -2.008293403e-04 -9.086453632e-04 -1.360060260e-03 5.46 -1.728131405e-04 -7.820082569e-04 -1.170502038e-03 5.48 -1.487762632e-04 -6.733428220e-04 -1.007845935e-03 5.50 -1.281461597e-04 -5.800656471e-04 -8.682246872e-04 5.52 -1.104330548e-04 -4.999663494e-04 -7.483294428e-04 5.54 -9.521808610e-05 -4.311542293e-04 -6.453296542e-04 5.56 -8.214308588e-05 -3.720122846e-04 -5.568052946e-04 5.58 -7.090179771e-05 -3.211576590e-04 -4.806860135e-04 5.60 -6.123233908e-05 -2.774076904e-04 -4.152014433e-04 5.62 -5.291074384e-05 -2.397508107e-04 -3.588373417e-04 5.64 -4.574543573e-05 -2.073216342e-04 -3.102982983e-04 5.66 -3.957250355e-05 -1.793796533e-04 -2.684758420e-04 5.68 -3.425166453e-05 -1.552910330e-04 -2.324211871e-04 5.70 -2.966281752e-05 -1.345130622e-04 -2.013219564e-04 5.72 -2.570310110e-05 -1.165808807e-04 -1.744823113e-04 5.74 -2.228438327e-05 -1.010961504e-04 -1.513059928e-04 5.76 -1.933111959e-05 -8.771738909e-05 -1.312818513e-04 5.78 -1.677852603e-05 -7.615172204e-05 -1.139714985e-04 5.80 -1.457101999e-05 -6.614784453e-05 -9.899877266e-05 5.82 -1.266089010e-05 -5.749001570e-05 -8.604074756e-05 5.84 -1.100716102e-05 -4.999293245e-05 -7.482005889e-05 5.86 -9.574624368e-06 -4.349735321e-05 -6.509835328e-05 5.88 -8.333011310e-06 -3.786636086e-05 -5.667069405e-05 5.90 -7.256285781e-06 -3.298217038e-05 -4.936078259e-05 5.92 -6.322040620e-06 -2.874340101e-05 -4.301687491e-05 5.94 -5.510981380e-06 -2.506274421e-05 -3.750829083e-05 5.96 -4.806484910e-06 -2.186496931e-05 -3.272242865e-05 5.98 -4.194221726e-06 -1.908521724e-05 -2.856221099e-05 6.00 -3.661832787e-06 -1.666753984e-05 -2.494389842e-05