# 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 = Cu3Pb # 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 1.862856322e+02 nan nan 1.16 1.713607391e+02 nan nan 1.18 1.576469246e+02 nan nan 1.20 1.450403292e+02 nan nan 1.22 1.334463834e+02 nan nan 1.24 1.227777398e+02 nan nan 1.26 1.129545168e+02 nan nan 1.28 1.039040216e+02 1.613290602e+02 1.851229093e+02 1.30 9.555970941e+01 1.494090292e+02 1.718182093e+02 1.32 8.786086610e+01 1.383775748e+02 1.594887153e+02 1.34 8.075314182e+01 1.281642214e+02 1.480547905e+02 1.36 7.418867184e+01 1.187031878e+02 1.374443836e+02 1.38 6.812514995e+01 1.099334621e+02 1.275920185e+02 1.40 6.252441030e+01 1.017992501e+02 1.184377113e+02 1.42 5.735114528e+01 9.425040395e+01 1.099265164e+02 1.44 5.257238701e+01 8.724203283e+01 1.020087963e+02 1.46 4.816372286e+01 8.073332863e+01 9.464043557e+01 1.48 4.409738977e+01 7.468643134e+01 8.778207254e+01 1.50 4.034523031e+01 6.906594871e+01 8.139776194e+01 1.52 3.688189736e+01 6.383904133e+01 7.545398899e+01 1.54 3.368447266e+01 5.897548306e+01 6.991931377e+01 1.56 3.073187243e+01 5.444738385e+01 6.476429751e+01 1.58 2.800439747e+01 5.023119701e+01 5.996147790e+01 1.60 2.548367455e+01 4.630912411e+01 5.548543710e+01 1.62 2.315286399e+01 4.265954520e+01 5.131372191e+01 1.64 2.099687695e+01 3.926356913e+01 4.743132474e+01 1.66 1.900239661e+01 3.610494456e+01 4.381891831e+01 1.68 1.715767578e+01 3.316932192e+01 4.045698344e+01 1.70 1.545221359e+01 3.044343579e+01 3.732690882e+01 1.72 1.387647273e+01 2.791442113e+01 3.441119020e+01 1.74 1.242171561e+01 2.556941442e+01 3.169379844e+01 1.76 1.107989804e+01 2.339547650e+01 2.916036190e+01 1.78 9.843557762e+00 2.137979580e+01 2.679803441e+01 1.80 8.705677792e+00 1.951004778e+01 2.459520744e+01 1.82 7.659562273e+00 1.777476472e+01 2.254127368e+01 1.84 6.698759929e+00 1.616355034e+01 2.062655493e+01 1.86 5.817033173e+00 1.466709146e+01 1.884231203e+01 1.88 5.008368328e+00 1.327702334e+01 1.718073569e+01 1.90 4.267011544e+00 1.198574213e+01 1.563481012e+01 1.92 3.587514448e+00 1.078625921e+01 1.419805357e+01 1.94 2.964778494e+00 9.672135816e+00 1.286422103e+01 1.96 2.394060815e+00 8.637468009e+00 1.162705005e+01 1.98 1.870961427e+00 7.676888464e+00 1.048014612e+01 2.00 1.391418799e+00 6.785534519e+00 9.417028756e+00 2.02 9.517373319e-01 5.958976528e+00 8.431312163e+00 2.04 5.486254188e-01 5.193127688e+00 7.516936580e+00 2.06 1.792144646e-01 4.484167058e+00 6.668353537e+00 2.08 -1.589753943e-01 3.828490612e+00 5.880617095e+00 2.10 -4.681045510e-01 3.222691315e+00 5.149362617e+00 2.12 -7.500975534e-01 2.663553562e+00 4.470718981e+00 2.14 -1.006719418e+00 2.148047115e+00 3.841190950e+00 2.16 -1.239634603e+00 1.673317280e+00 3.257544918e+00 2.18 -1.450450435e+00 1.236667844e+00 2.716719474e+00 2.20 -1.640735003e+00 8.355386413e-01 2.215765981e+00 2.22 -1.812022969e+00 4.674843435e-01 1.751845391e+00 2.24 -1.965800636e+00 1.301556681e-01 1.322250437e+00 2.26 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2.62 -2.900122734e+00 -2.812612258e+00 -2.583248428e+00 2.64 -2.884606630e+00 -2.858012320e+00 -2.649886945e+00 2.66 -2.865260376e+00 -2.895478013e+00 -2.709765166e+00 2.68 -2.842382600e+00 -2.925337925e+00 -2.762986760e+00 2.70 -2.816267164e+00 -2.948009666e+00 -2.809668193e+00 2.72 -2.787236482e+00 -2.964005402e+00 -2.849943488e+00 2.74 -2.755549239e+00 -2.973921267e+00 -2.883969749e+00 2.76 -2.721429045e+00 -2.978363740e+00 -2.911929682e+00 2.78 -2.685098246e+00 -2.977893300e+00 -2.934030455e+00 2.80 -2.646775503e+00 -2.973001439e+00 -2.950530432e+00 2.82 -2.606671207e+00 -2.964098185e+00 -2.961739200e+00 2.84 -2.564985355e+00 -2.951516526e+00 -2.967963730e+00 2.86 -2.521903781e+00 -2.935525834e+00 -2.969502122e+00 2.88 -2.477588188e+00 -2.916350952e+00 -2.966642762e+00 2.90 -2.432179367e+00 -2.894191449e+00 -2.959663920e+00 2.92 -2.385805369e+00 -2.869237522e+00 -2.948833736e+00 2.94 -2.338587957e+00 -2.841680862e+00 -2.934410577e+00 2.96 -2.290638721e+00 -2.811731697e+00 -2.916642656e+00 2.98 -2.242067583e+00 -2.779622956e+00 -2.895774787e+00 3.00 -2.192984659e+00 -2.745537402e+00 -2.872042130e+00 3.02 -2.143502456e+00 -2.709664600e+00 -2.845678908e+00 3.04 -2.093736603e+00 -2.672200042e+00 -2.816930871e+00 3.06 -2.043804967e+00 -2.633342336e+00 -2.786060131e+00 3.08 -1.993825369e+00 -2.593283541e+00 -2.753277732e+00 3.10 -1.943912361e+00 -2.552208184e+00 -2.718801339e+00 3.12 -1.894173715e+00 -2.510288201e+00 -2.682855701e+00 3.14 -1.844707196e+00 -2.467678501e+00 -2.645664938e+00 3.16 -1.795598104e+00 -2.424509669e+00 -2.607442449e+00 3.18 -1.746917786e+00 -2.380898192e+00 -2.568379915e+00 3.20 -1.698723173e+00 -2.336944707e+00 -2.528637189e+00 3.22 -1.651057204e+00 -2.292733073e+00 -2.488333255e+00 3.24 -1.603949948e+00 -2.248330147e+00 -2.447539723e+00 3.26 -1.557420229e+00 -2.203786625e+00 -2.406293224e+00 3.28 -1.511477526e+00 -2.159139144e+00 -2.364603196e+00 3.30 -1.466123977e+00 -2.114413577e+00 -2.322461644e+00 3.32 -1.421356308e+00 -2.069629111e+00 -2.279853811e+00 3.34 -1.377167552e+00 -2.024802512e+00 -2.236768152e+00 3.36 -1.333548476e+00 -1.979951924e+00 -2.193204469e+00 3.38 -1.290488742e+00 -1.935099671e+00 -2.149179592e+00 3.40 -1.247977911e+00 -1.890273607e+00 -2.104730468e+00 3.42 -1.206005534e+00 -1.845508163e+00 -2.059914858e+00 3.44 -1.164566797e+00 -1.800842189e+00 -2.014810031e+00 3.46 -1.123657853e+00 -1.756318186e+00 -1.969509932e+00 3.48 -1.083283196e+00 -1.711979977e+00 -1.924121251e+00 3.50 -1.043457511e+00 -1.667870542e+00 -1.878757876e+00 3.52 -1.004208834e+00 -1.624030081e+00 -1.833539963e+00 3.54 -9.655811315e-01 -1.580494532e+00 -1.788582748e+00 3.56 -9.276355457e-01 -1.537294674e+00 -1.743996539e+00 3.58 -8.904496146e-01 -1.494455888e+00 -1.699881772e+00 3.60 -8.541139962e-01 -1.451998599e+00 -1.656326273e+00 3.62 -8.187266414e-01 -1.409939369e+00 -1.613403693e+00 3.64 -7.843848925e-01 -1.368292566e+00 -1.571173086e+00 3.66 -7.511765126e-01 -1.327072505e+00 -1.529679506e+00 3.68 -7.191710184e-01 -1.286295911e+00 -1.488955311e+00 3.70 -6.884127407e-01 -1.245984498e+00 -1.449021898e+00 3.72 -6.589167474e-01 -1.206167417e+00 -1.409891555e+00 3.74 -6.306681960e-01 -1.166883282e+00 -1.371569228e+00 3.76 -6.036250317e-01 -1.128181462e+00 -1.334054051e+00 3.78 -5.777233974e-01 -1.090122317e+00 -1.297340582e+00 3.80 -5.528847987e-01 -1.052776145e+00 -1.261419741e+00 3.82 -5.290239911e-01 -1.016220683e+00 -1.226279476e+00 3.84 -5.060566680e-01 -9.805372360e-01 -1.191905204e+00 3.86 -4.839062326e-01 -9.458057091e-01 -1.158280076e+00 3.88 -4.625091405e-01 -9.120990711e-01 -1.125385107e+00 3.90 -4.418184833e-01 -8.794779456e-01 -1.093199216e+00 3.92 -4.218052610e-01 -8.479857018e-01 -1.061698614e+00 3.94 -4.024595425e-01 -8.176467661e-01 -1.030859201e+00 3.96 -3.837858170e-01 -7.884630121e-01 -1.000652610e+00 3.98 -3.658008360e-01 -7.604158063e-01 -9.710488485e-01 4.00 -3.485282178e-01 -7.334675702e-01 -9.420155105e-01 4.02 -3.319930373e-01 -7.075648411e-01 -9.135177490e-01 4.04 -3.162166601e-01 -6.826418934e-01 -8.855183032e-01 4.06 -3.012124629e-01 -6.586244507e-01 -8.579776079e-01 4.08 -2.869829040e-01 -6.354331396e-01 -8.308540135e-01 4.10 -2.735181512e-01 -6.129854887e-01 -8.041041496e-01 4.12 -2.607962091e-01 -5.912025626e-01 -7.776834705e-01 4.14 -2.487842829e-01 -5.700043815e-01 -7.515470187e-01 4.16 -2.374409759e-01 -5.493161122e-01 -7.256504465e-01 4.18 -2.267189419e-01 -5.290681736e-01 -6.999513251e-01 4.20 -2.165676178e-01 -5.091974300e-01 -6.744107611e-01 4.22 -2.069357498e-01 -4.896483605e-01 -6.489953167e-01 4.24 -1.977735832e-01 -4.703742725e-01 -6.236791991e-01 4.26 -1.890343974e-01 -4.513385828e-01 -5.984466435e-01 4.28 -1.806755754e-01 -4.325161303e-01 -5.732943593e-01 4.30 -1.726616238e-01 -4.138944282e-01 -5.482338534e-01 4.32 -1.649628095e-01 -3.954747071e-01 -5.232933877e-01 4.34 -1.575554047e-01 -3.772725579e-01 -4.985192847e-01 4.36 -1.504212749e-01 -3.593179659e-01 -4.739762803e-01 4.38 -1.435496759e-01 -3.416545390e-01 -4.497466540e-01 4.40 -1.369333605e-01 -3.243377977e-01 -4.259279509e-01 4.42 -1.305699934e-01 -3.074324910e-01 -4.026292565e-01 4.44 -1.244604605e-01 -2.910090400e-01 -3.799661751e-01 4.46 -1.186076641e-01 -2.751393525e-01 -3.580548665e-01 4.48 -1.130152939e-01 -2.598923744e-01 -3.370056750e-01 4.50 -1.076866764e-01 -2.453298134e-01 -3.169169859e-01 4.52 -1.026232404e-01 -2.315024668e-01 -2.978687824e-01 4.54 -9.782611430e-02 -2.184475047e-01 -2.799236073e-01 4.56 -9.329203210e-02 -2.061869264e-01 -2.631167789e-01 4.58 -8.901573088e-02 -1.947272317e-01 -2.474613217e-01 4.60 -8.498938017e-02 -1.840602040e-01 -2.329478223e-01 4.62 -8.120288584e-02 -1.741645871e-01 -2.195469938e-01 4.64 -7.764432787e-02 -1.650083482e-01 -2.072131181e-01 4.66 -7.430046369e-02 -1.565512202e-01 -1.958879103e-01 4.68 -7.115723793e-02 -1.487472743e-01 -1.855044297e-01 4.70 -6.820025364e-02 -1.415473078e-01 -1.759907039e-01 4.72 -6.541517604e-02 -1.349002845e-01 -1.672728565e-01 4.74 -6.278805466e-02 -1.287563244e-01 -1.592776590e-01 4.76 -6.030556127e-02 -1.230678203e-01 -1.519344239e-01 4.78 -5.795514950e-02 -1.177895064e-01 -1.451757064e-01 4.80 -5.572514675e-02 -1.128783739e-01 -1.389401029e-01 4.82 -5.360479118e-02 -1.082973751e-01 -1.331715920e-01 4.84 -5.158422681e-02 -1.040103874e-01 -1.278193044e-01 4.86 -4.965446847e-02 -9.998579816e-02 -1.228375811e-01 4.88 -4.780734702e-02 -9.619540773e-02 -1.181858087e-01 4.90 -4.603544297e-02 -9.261420887e-02 -1.138281140e-01 4.92 -4.433201485e-02 -8.922012682e-02 -1.097329814e-01 4.94 -4.269092741e-02 -8.599374534e-02 -1.058728330e-01 4.96 -4.110658272e-02 -8.291803602e-02 -1.022236052e-01 4.98 -3.957385682e-02 -7.997810246e-02 -9.876433764e-02 5.00 -3.808804339e-02 -7.716094596e-02 -9.547678952e-02 5.02 -3.664480550e-02 -7.445525647e-02 -9.234508751e-02 5.04 -3.524013598e-02 -7.185122959e-02 -8.935540902e-02 5.06 -3.387032664e-02 -6.934040872e-02 -8.649570063e-02 5.08 -3.253194706e-02 -6.691555015e-02 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-3.441443470e-02 -4.792710110e-02 5.46 -1.085483683e-02 -3.315600325e-02 -4.645206669e-02 5.48 -9.949993635e-03 -3.194745934e-02 -4.501460643e-02 5.50 -9.086434086e-03 -3.078647546e-02 -4.361277430e-02 5.52 -8.266890183e-03 -2.967054271e-02 -4.224466746e-02 5.54 -7.493594383e-03 -2.859702270e-02 -4.090801491e-02 5.56 -6.768192905e-03 -2.756319862e-02 -3.960185258e-02 5.58 -6.091691428e-03 -2.656632274e-02 -3.832390838e-02 5.60 -5.464435136e-03 -2.560365871e-02 -3.707241253e-02 5.62 -4.886121969e-03 -2.467251784e-02 -3.584562676e-02 5.64 -4.355845186e-03 -2.377028903e-02 -3.464184761e-02 5.66 -3.872159381e-03 -2.289446321e-02 -3.345941220e-02 5.68 -3.433162982e-03 -2.204265285e-02 -3.229670634e-02 5.70 -3.036590003e-03 -2.121260755e-02 -3.115217520e-02 5.72 -2.679904331e-03 -2.040222693e-02 -3.002433673e-02 5.74 -2.360390898e-03 -1.960957168e-02 -2.891179785e-02 5.76 -2.075239412e-03 -1.883287379e-02 -2.781327358e-02 5.78 -1.821617726e-03 -1.807054659e-02 -2.672760880e-02 5.80 -1.596733302e-03 -1.732119519e-02 -2.565380252e-02 5.82 -1.397882300e-03 -1.658362733e-02 -2.459103411e-02 5.84 -1.222486707e-03 -1.585686480e-02 -2.353869080e-02 5.86 -1.068120553e-03 -1.514015488e-02 -2.249639547e-02 5.88 -9.325265601e-04 -1.443298136e-02 -2.146403328e-02 5.90 -8.136247886e-04 -1.373507395e-02 -2.044177582e-02 5.92 -7.095148275e-04 -1.304641530e-02 -1.943010069e-02 5.94 -6.184729891e-04 -1.236723271e-02 -1.842978760e-02 5.96 -5.389458092e-04 -1.169795515e-02 -1.744186160e-02 5.98 -4.695409761e-04 -1.103932553e-02 -1.646776838e-02 6.00 -4.090166138e-04 -1.039232785e-02 -1.550927150e-02