# 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 = Pd3W # 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 4.569244209e+02 nan nan 1.16 4.210162384e+02 nan nan 1.18 3.879962054e+02 nan nan 1.20 3.576034573e+02 nan nan 1.22 3.296018330e+02 nan nan 1.24 3.037796101e+02 nan nan 1.26 2.799494710e+02 nan nan 1.28 2.579478567e+02 3.970304781e+02 4.537365312e+02 1.30 2.376321110e+02 3.682705702e+02 4.215583976e+02 1.32 2.188745578e+02 3.415858772e+02 3.917127923e+02 1.34 2.015558507e+02 3.168220554e+02 3.640276394e+02 1.36 1.855612073e+02 2.938421548e+02 3.383425013e+02 1.38 1.707805302e+02 2.725212222e+02 3.145041578e+02 1.40 1.571103655e+02 2.527419958e+02 2.923659868e+02 1.42 1.444554726e+02 2.343920320e+02 2.717895815e+02 1.44 1.327294632e+02 2.173626228e+02 2.526467756e+02 1.46 1.218550500e+02 2.015495094e+02 2.348212224e+02 1.48 1.117641556e+02 1.868544634e+02 2.182091662e+02 1.50 1.023974996e+02 1.731865226e+02 2.027192882e+02 1.52 9.370333611e+01 1.604624439e+02 1.882716080e+02 1.54 8.563554435e+01 1.486066478e+02 1.747954559e+02 1.56 7.815159008e+01 1.375509216e+02 1.622268974e+02 1.58 7.121089259e+01 1.272338996e+02 1.505063682e+02 1.60 6.477453165e+01 1.176002992e+02 1.395770850e+02 1.62 5.880452300e+01 1.086000172e+02 1.293843089e+02 1.64 5.326430023e+01 1.001873287e+02 1.198752784e+02 1.66 4.815356833e+01 9.232040452e+01 1.109995813e+02 1.68 4.346266268e+01 8.496112806e+01 1.027096728e+02 1.70 3.915648420e+01 7.807495915e+01 9.496125594e+01 1.72 3.520360506e+01 7.163063918e+01 8.771340576e+01 1.74 3.157556303e+01 6.560019164e+01 8.092852439e+01 1.76 2.824627480e+01 5.995808301e+01 7.457226682e+01 1.78 2.519169523e+01 5.468114222e+01 6.861380301e+01 1.80 2.238972733e+01 4.976311108e+01 6.302551491e+01 1.82 1.982027500e+01 4.521719148e+01 5.778192432e+01 1.84 1.746526732e+01 4.102659444e+01 5.285980260e+01 1.86 1.530853055e+01 3.716685161e+01 4.825737712e+01 1.88 1.333550425e+01 3.361423426e+01 4.398390357e+01 1.90 1.153288152e+01 3.034576597e+01 4.001730016e+01 1.92 9.888263260e+00 2.733941091e+01 3.633709432e+01 1.94 8.389889073e+00 2.457432892e+01 3.292475534e+01 1.96 7.026477362e+00 2.203109312e+01 2.976342830e+01 1.98 5.787177935e+00 1.969180434e+01 2.683756423e+01 2.00 4.661611714e+00 1.754008392e+01 2.413253224e+01 2.02 3.639953113e+00 1.556096586e+01 2.163430141e+01 2.04 2.713011391e+00 1.374073166e+01 1.932925008e+01 2.06 1.872286247e+00 1.206673397e+01 1.720411543e+01 2.08 1.109995651e+00 1.052724610e+01 1.524605424e+01 2.10 4.190844581e-01 9.111360810e+00 1.344276215e+01 2.12 -2.067256993e-01 7.808946442e+00 1.178259755e+01 2.14 -7.730297969e-01 6.610651626e+00 1.025467449e+01 2.16 -1.284984508e+00 5.507934422e+00 8.848913044e+00 2.18 -1.747133430e+00 4.493086330e+00 7.556050507e+00 2.20 -2.163493040e+00 3.559227666e+00 6.367619311e+00 2.22 -2.537644853e+00 2.700264623e+00 5.275896385e+00 2.24 -2.872814924e+00 1.910812196e+00 4.273830708e+00 2.26 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-4.591727911e+00 -4.566712543e+00 -4.216008085e+00 2.64 -4.547042100e+00 -4.638633111e+00 -4.340705788e+00 2.66 -4.495901206e+00 -4.695732235e+00 -4.446718167e+00 2.68 -4.438764774e+00 -4.738933183e+00 -4.535204245e+00 2.70 -4.376134780e+00 -4.769086272e+00 -4.607347547e+00 2.72 -4.308517052e+00 -4.786988777e+00 -4.664373351e+00 2.74 -4.236311171e+00 -4.793733384e+00 -4.707552506e+00 2.76 -4.159829047e+00 -4.790080495e+00 -4.738186405e+00 2.78 -4.079318524e+00 -4.776503236e+00 -4.757572668e+00 2.80 -3.994985244e+00 -4.754045813e+00 -4.766957743e+00 2.82 -3.907011059e+00 -4.723175741e+00 -4.767487941e+00 2.84 -3.815568435e+00 -4.684073845e+00 -4.760389623e+00 2.86 -3.720831295e+00 -4.637009745e+00 -4.747360239e+00 2.88 -3.622983479e+00 -4.582407973e+00 -4.728724365e+00 2.90 -3.522226165e+00 -4.520842236e+00 -4.704607232e+00 2.92 -3.418785393e+00 -4.452957441e+00 -4.675112969e+00 2.94 -3.312920304e+00 -4.379453571e+00 -4.640333731e+00 2.96 -3.204932028e+00 -4.301100323e+00 -4.600357995e+00 2.98 -3.095172479e+00 -4.218741236e+00 -4.555276265e+00 3.00 -2.984051714e+00 -4.133182036e+00 -4.505185029e+00 3.02 -2.872042111e+00 -4.045156676e+00 -4.450243003e+00 3.04 -2.759677593e+00 -3.955311031e+00 -4.390698483e+00 3.06 -2.647546445e+00 -3.864194058e+00 -4.326787349e+00 3.08 -2.536277079e+00 -3.772255850e+00 -4.258726533e+00 3.10 -2.426517144e+00 -3.679851247e+00 -4.186717161e+00 3.12 -2.318907648e+00 -3.587247495e+00 -4.110947380e+00 3.14 -2.214054745e+00 -3.494634686e+00 -4.031595113e+00 3.16 -2.112502451e+00 -3.402137972e+00 -3.948831017e+00 3.18 -2.014709532e+00 -3.309830759e+00 -3.862821877e+00 3.20 -1.921033108e+00 -3.217748223e+00 -3.773734778e+00 3.22 -1.831720419e+00 -3.125900614e+00 -3.681742305e+00 3.24 -1.746908892e+00 -3.034285981e+00 -3.587028972e+00 3.26 -1.666633510e+00 -2.942901988e+00 -3.489798828e+00 3.28 -1.590839650e+00 -2.851756638e+00 -3.390283920e+00 3.30 -1.519399261e+00 -2.760877667e+00 -3.288752873e+00 3.32 -1.452128261e+00 -2.670320388e+00 -3.185518544e+00 3.34 -1.388803432e+00 -2.580173654e+00 -3.080943397e+00 3.36 -1.329177569e+00 -2.490563598e+00 -2.975441315e+00 3.38 -1.272992180e+00 -2.401654784e+00 -2.869474809e+00 3.40 -1.219987462e+00 -2.313648458e+00 -2.763547203e+00 3.42 -1.169909644e+00 -2.226777779e+00 -2.658190129e+00 3.44 -1.122515974e+00 -2.141300140e+00 -2.553947377e+00 3.46 -1.077577744e+00 -2.057486989e+00 -2.451356622e+00 3.48 -1.034881793e+00 -1.975611899e+00 -2.350930748e+00 3.50 -9.942308745e-01 -1.895937859e+00 -2.253140352e+00 3.52 -9.554432568e-01 -1.818704939e+00 -2.158398735e+00 3.54 -9.183518293e-01 -1.744119417e+00 -2.067050320e+00 3.56 -8.828029648e-01 -1.672345303e+00 -1.979363082e+00 3.58 -8.486553120e-01 -1.603498868e+00 -1.895525215e+00 3.60 -8.157786638e-01 -1.537646410e+00 -1.815645906e+00 3.62 -7.840530203e-01 -1.474805093e+00 -1.739759798e+00 3.64 -7.533679375e-01 -1.414946424e+00 -1.667834425e+00 3.66 -7.236222374e-01 -1.358001700e+00 -1.599779786e+00 3.68 -6.947241326e-01 -1.303868707e+00 -1.535459120e+00 3.70 -6.665917886e-01 -1.252418973e+00 -1.474700042e+00 3.72 -6.391543054e-01 -1.203504987e+00 -1.417305308e+00 3.74 -6.123530404e-01 -1.156966945e+00 -1.363062670e+00 3.76 -5.861431223e-01 -1.112638726e+00 -1.311753453e+00 3.78 -5.604949200e-01 -1.070352955e+00 -1.263159686e+00 3.80 -5.353951522e-01 -1.029945104e+00 -1.217069737e+00 3.82 -5.108472735e-01 -9.912566878e-01 -1.173282489e+00 3.84 -4.868707785e-01 -9.541376507e-01 -1.131610209e+00 3.86 -4.634991535e-01 -9.184480751e-01 -1.091880252e+00 3.88 -4.407763855e-01 -8.840593715e-01 -1.053935792e+00 3.90 -4.187521923e-01 -8.508550973e-01 -1.017635779e+00 3.92 -3.974764132e-01 -8.187315458e-01 -9.828542966e-01 3.94 -3.769932271e-01 -7.875982204e-01 -9.494795110e-01 3.96 -3.573359649e-01 -7.573782614e-01 -9.174123498e-01 3.98 -3.385232266e-01 -7.280088529e-01 -8.865650601e-01 4.00 -3.205567926e-01 -6.994415640e-01 -8.568597365e-01 4.02 -3.034215119e-01 -6.716425211e-01 -8.282269026e-01 4.04 -2.870870279e-01 -6.445922591e-01 -8.006041954e-01 4.06 -2.715109560e-01 -6.182850656e-01 -7.739351810e-01 4.08 -2.566429813e-01 -5.927276514e-01 -7.481683146e-01 4.10 -2.424293288e-01 -5.679370313e-01 -7.232560413e-01 4.12 -2.288171107e-01 -5.439376210e-01 -6.991540310e-01 4.14 -2.157581625e-01 -5.207576692e-01 -6.758205291e-01 4.16 -2.032120898e-01 -4.984253218e-01 -6.532158108e-01 4.18 -1.911483442e-01 -4.769646856e-01 -6.313017192e-01 4.20 -1.795472326e-01 -4.563923188e-01 -6.100412767e-01 4.22 -1.683998375e-01 -4.367145210e-01 -5.893983535e-01 4.24 -1.577068975e-01 -4.179256750e-01 -5.693373883e-01 4.26 -1.474767953e-01 -4.000077293e-01 -5.498231506e-01 4.28 -1.377228741e-01 -3.829307408e-01 -5.308205448e-01 4.30 -1.284603851e-01 -3.666542643e-01 -5.122944525e-01 4.32 -1.197034151e-01 -3.511293077e-01 -4.942096179e-01 4.34 -1.114621351e-01 -3.363005549e-01 -4.765305791e-01 4.36 -1.037406581e-01 -3.221086044e-01 -4.592216552e-01 4.38 -9.653569115e-02 -3.084920366e-01 -4.422469993e-01 4.40 -8.983603896e-02 -2.953892029e-01 -4.255707304e-01 4.42 -8.362290547e-02 -2.827396970e-01 -4.091571614e-01 4.44 -7.787083692e-02 -2.704855283e-01 -3.929711393e-01 4.46 -7.254910532e-02 -2.585720438e-01 -3.769785159e-01 4.48 -6.762332082e-02 -2.469486710e-01 -3.611467659e-01 4.50 -6.305708277e-02 -2.355695485e-01 -3.454457645e-01 4.52 -5.881352891e-02 -2.243941088e-01 -3.298487271e-01 4.54 -5.485669370e-02 -2.133876573e-01 -3.143333121e-01 4.56 -5.115244221e-02 -2.025219739e-01 -2.988828436e-01 4.58 -4.766966539e-02 -1.917759343e-01 -2.834876307e-01 4.60 -4.438100982e-02 -1.811361270e-01 -2.681462916e-01 4.62 -4.126290889e-02 -1.705974109e-01 -2.528669871e-01 4.64 -3.829585440e-02 -1.601633366e-01 -2.376684329e-01 4.66 -3.546447579e-02 -1.498463403e-01 -2.225805423e-01 4.68 -3.275744330e-02 -1.396676090e-01 -2.076445472e-01 4.70 -3.016721096e-02 -1.296565285e-01 -1.929124594e-01 4.72 -2.768962161e-02 -1.198496528e-01 -1.784457804e-01 4.74 -2.532338846e-02 -1.102891763e-01 -1.643134330e-01 4.76 -2.306947719e-02 -1.010209464e-01 -1.505889789e-01 4.78 -2.093042109e-02 -9.209213802e-02 -1.373472833e-01 4.80 -1.890960720e-02 -8.354874077e-02 -1.246608753e-01 4.82 -1.701042368e-02 -7.543306825e-02 -1.125963131e-01 4.84 -1.523597582e-02 -6.778151016e-02 -1.012108814e-01 4.86 -1.358851617e-02 -6.062270648e-02 -9.054991725e-02 4.88 -1.206894395e-02 -5.397629711e-02 -8.064498457e-02 4.90 -1.067659196e-02 -4.785231957e-02 -7.151299195e-02 4.92 -9.409165524e-03 -4.225126125e-02 -6.315630073e-02 4.94 -8.262815257e-03 -3.716453572e-02 -5.556367074e-02 4.96 -7.232315110e-03 -3.257581313e-02 -4.871189502e-02 4.98 -6.311311539e-03 -2.846241391e-02 -4.256784156e-02 5.00 -5.492609836e-03 -2.479661358e-02 -3.709072672e-02 5.02 -4.768467467e-03 -2.154718064e-02 -3.223441624e-02 5.04 -4.130870733e-03 -1.868060433e-02 -2.794936428e-02 5.06 -3.571778477e-03 -1.616269419e-02 -2.418486146e-02 5.08 -3.083323717e-03 -1.395983211e-02 -2.089081212e-02 5.10 -2.657970047e-03 -1.203934822e-02 -1.801833011e-02 5.12 -2.288624194e-03 -1.037016985e-02 -1.552115020e-02 5.14 -1.968709073e-03 -8.923261098e-03 -1.335612836e-02 5.16 -1.692203319e-03 -7.671883575e-03 -1.148344778e-02 5.18 -1.453653854e-03 -6.591713953e-03 -9.866832443e-03 5.20 -1.248167850e-03 -5.660852263e-03 -8.473585108e-03 5.22 -1.071389852e-03 -4.859750904e-03 -7.274498202e-03 5.24 -9.194689629e-04 -4.171089675e-03 -6.243678075e-03 5.26 -7.890200468e-04 -3.579617154e-03 -5.358314973e-03 5.28 -6.770820509e-04 -3.071974190e-03 -4.598423599e-03 5.30 -5.810757268e-04 -2.636511176e-03 -3.946572666e-03 5.32 -4.987623826e-04 -2.263107466e-03 -3.387616512e-03 5.34 -4.282047483e-04 -1.942998529e-03 -2.908437593e-03 5.36 -3.677306213e-04 -1.668614387e-03 -2.497705398e-03 5.38 -3.158996399e-04 -1.433431280e-03 -2.145654876e-03 5.40 -2.714733070e-04 -1.231837389e-03 -1.843885715e-03 5.42 -2.333882257e-04 -1.059012622e-03 -1.585182575e-03 5.44 -2.007324038e-04 -9.108219827e-04 -1.363355548e-03 5.46 -1.727244213e-04 -7.837216486e-04 -1.173099645e-03 5.48 -1.486952181e-04 -6.746767743e-04 -1.009871773e-03 5.50 -1.280722488e-04 -5.810898909e-04 -8.697835720e-04 5.52 -1.103657499e-04 -5.007388025e-04 -7.495084578e-04 5.54 -9.515687749e-05 -4.317229002e-04 -6.462010346e-04 5.56 -8.208748672e-05 -3.724168826e-04 -5.574287538e-04 5.58 -7.085134675e-05 -3.214309545e-04 -4.811108751e-04 5.60 -6.118660240e-05 -2.775766610e-04 -4.154683286e-04 5.62 -5.286931552e-05 -2.398376054e-04 -3.589796164e-04 5.64 -4.570793792e-05 -2.073443837e-04 -3.103432887e-04 5.66 -3.953858599e-05 -1.793531496e-04 -2.684458549e-04 5.68 -3.422100365e-05 -1.552272988e-04 -2.323343644e-04 5.70 -2.963511537e-05 -1.344218273e-04 -2.011929910e-04 5.72 -2.567808403e-05 -1.164699800e-04 -1.743230444e-04 5.74 -2.226180055e-05 -1.009718562e-04 -1.511259133e-04 5.76 -1.931074199e-05 -8.758468781e-05 -1.310885117e-04 5.78 -1.676014433e-05 -7.601454504e-05 -1.137708614e-04 5.80 -1.455444355e-05 -6.600925945e-05 -9.879549882e-05 5.82 -1.264594547e-05 -5.735238565e-05 -8.583843497e-05 5.84 -1.099369058e-05 -4.985804783e-05 -7.462144121e-05 5.86 -9.562485067e-06 -4.336654083e-05 -6.490546394e-05 5.88 -8.322073430e-06 -3.774057406e-05 -5.648500197e-05 5.90 -7.246431816e-06 -3.286206337e-05 -4.918330403e-05 5.92 -6.313164211e-06 -2.862938997e-05 -4.284826556e-05 5.94 -5.502986328e-06 -2.495505749e-05 -3.734892143e-05 5.96 -4.799284264e-06 -2.176368851e-05 -3.257244693e-05 5.98 -4.187736938e-06 -1.899031068e-05 -2.842159218e-05 6.00 -3.655992940e-06 -1.657888986e-05 -2.481248641e-05