# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Cu # implementation = 2018--Jeong-G-U--Pd-Cu--LAMMPS--ipr1 # composition = Pd # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 1.300959191e+03 nan nan nan nan 0.74 nan nan nan nan nan 1.212073936e+03 nan nan nan nan 0.76 nan nan nan nan nan 1.129010760e+03 nan nan 1.321714449e+03 nan 0.78 nan nan nan nan nan 1.051400288e+03 nan nan 1.223418581e+03 nan 0.80 nan nan nan nan nan 9.788959748e+02 nan nan 1.132200394e+03 nan 0.82 nan nan nan nan nan 9.111727205e+02 nan nan 1.047560861e+03 nan 0.84 nan 1.876071510e+03 nan nan nan 8.479255752e+02 1.225285825e+03 nan 9.690355983e+02 1.296487476e+03 0.86 nan 1.730458446e+03 nan nan nan 7.888685178e+02 1.138983274e+03 nan 8.961924943e+02 1.206933108e+03 0.88 nan 1.595770715e+03 nan nan nan 7.337333084e+02 1.058499710e+03 nan 8.286294915e+02 1.123297701e+03 0.90 nan 1.471209078e+03 nan nan nan 6.822684086e+02 9.834551896e+02 nan 7.659725233e+02 1.045202622e+03 0.92 nan 1.356031533e+03 1.370209733e+03 nan nan 6.342379653e+02 9.134939356e+02 1.893865106e+03 7.078735897e+02 9.722928197e+02 0.94 1.884020065e+03 1.249549289e+03 1.274604490e+03 1.884047706e+03 1.884075347e+03 5.894208563e+02 8.482828310e+02 1.760901592e+03 6.540089640e+02 9.042353831e+02 0.96 1.754208363e+03 1.151123023e+03 1.185391030e+03 1.754235918e+03 1.754263473e+03 5.476097920e+02 7.875100100e+02 1.636914021e+03 6.040775219e+02 8.407181960e+02 0.98 1.632994078e+03 1.060159396e+03 1.102155262e+03 1.633021545e+03 1.633049012e+03 5.086104708e+02 7.308835321e+02 1.521314527e+03 5.577991840e+02 7.814486676e+02 1.00 1.519824940e+03 9.761078071e+02 1.024509238e+03 1.519852318e+03 1.519879696e+03 4.722407849e+02 6.781301389e+02 1.413552764e+03 5.149134647e+02 7.261525401e+02 1.02 1.414183243e+03 8.984573738e+02 9.520895345e+02 1.414210530e+03 1.414237816e+03 4.383300745e+02 6.289940861e+02 1.313113562e+03 4.751781201e+02 6.745727673e+02 1.04 1.315583726e+03 8.267341247e+02 8.845557411e+02 1.315610920e+03 1.315638113e+03 4.067184251e+02 5.832360473e+02 1.219514733e+03 4.383678883e+02 6.264684605e+02 1.06 1.223571591e+03 7.604983835e+02 8.215890324e+02 1.223598690e+03 1.223625788e+03 3.772560085e+02 5.406320850e+02 1.132305008e+03 4.042733150e+02 5.816138976e+02 1.08 1.137720633e+03 6.993423379e+02 7.628908321e+02 1.137747634e+03 1.137774636e+03 3.498024624e+02 5.009726843e+02 1.051062098e+03 3.726996605e+02 5.397975916e+02 1.10 1.057631483e+03 6.428877758e+02 7.081815560e+02 1.057658386e+03 1.057685289e+03 3.242263079e+02 4.640618473e+02 9.753908797e+02 3.434658806e+02 5.008214149e+02 1.12 9.829299632e+02 5.907839812e+02 6.571994320e+02 9.829567658e+02 9.829835683e+02 3.004044014e+02 4.297162413e+02 9.049216868e+02 3.164036775e+02 4.644997768e+02 1.14 9.132655306e+02 5.427057755e+02 6.096993919e+02 9.132922307e+02 9.133189308e+02 2.782214202e+02 3.977644013e+02 8.393087100e+02 2.913566157e+02 4.306588500e+02 1.16 8.483098230e+02 4.983516970e+02 5.654520304e+02 8.483364188e+02 8.483630145e+02 2.575693789e+02 3.680459804e+02 7.782284940e+02 2.681792987e+02 3.991358440e+02 1.18 7.877552885e+02 4.574423069e+02 5.242426284e+02 7.877817780e+02 7.878082674e+02 2.383471750e+02 3.404110473e+02 7.213785277e+02 2.467366018e+02 3.697783227e+02 1.20 7.313138992e+02 4.197186146e+02 4.858702348e+02 7.313402804e+02 7.313666616e+02 2.204601616e+02 3.147194268e+02 6.684759208e+02 2.269029576e+02 3.424435625e+02 1.22 6.787159423e+02 3.849406133e+02 4.501468058e+02 6.787422132e+02 6.787684841e+02 2.038197471e+02 2.908400811e+02 6.192561633e+02 2.085616911e+02 3.169979499e+02 1.24 6.297088842e+02 3.528859184e+02 4.168963959e+02 6.297350429e+02 6.297612016e+02 1.883430178e+02 2.686505300e+02 5.734719602e+02 1.916043997e+02 2.933164155e+02 1.26 5.840563041e+02 3.233485018e+02 3.859543987e+02 5.840823486e+02 5.841083930e+02 1.739523845e+02 2.480363063e+02 5.308921399e+02 1.759303766e+02 2.712819021e+02 1.28 5.415368919e+02 2.961375157e+02 3.571668349e+02 5.415628200e+02 5.415887482e+02 1.605752502e+02 2.288904458e+02 4.913006291e+02 1.614460732e+02 2.507848655e+02 1.30 5.019435067e+02 2.710761986e+02 3.303896834e+02 5.019693166e+02 5.019951264e+02 1.481436977e+02 2.111130082e+02 4.544954924e+02 1.480645991e+02 2.317228053e+02 1.32 4.650822936e+02 2.480008592e+02 3.054882534e+02 4.651079830e+02 4.651336725e+02 1.365941968e+02 1.946106290e+02 4.202880305e+02 1.357052565e+02 2.139998247e+02 1.34 4.307718531e+02 2.267599317e+02 2.823365965e+02 4.307974201e+02 4.308229870e+02 1.258673295e+02 1.792960983e+02 3.885019359e+02 1.242931064e+02 1.975262168e+02 1.36 3.988424622e+02 2.072130989e+02 2.608169530e+02 3.988679046e+02 3.988933470e+02 1.159075309e+02 1.650879661e+02 3.589724998e+02 1.137585648e+02 1.822180764e+02 1.38 3.691353426e+02 1.892304758e+02 2.408192345e+02 3.691606583e+02 3.691859740e+02 1.066628475e+02 1.519101733e+02 3.315458700e+02 1.040370275e+02 1.679969356e+02 1.40 3.415019738e+02 1.726918532e+02 2.222405370e+02 3.415271606e+02 3.415523474e+02 9.808470931e+01 1.396917042e+02 3.060783541e+02 9.506851967e+01 1.547894212e+02 1.42 3.158034480e+02 1.574859934e+02 2.049846850e+02 3.158285038e+02 3.158535596e+02 9.012771599e+01 1.283662620e+02 2.824357667e+02 8.679737088e+01 1.425269342e+02 1.44 2.919098654e+02 1.435099771e+02 1.889618034e+02 2.919347879e+02 2.919597105e+02 8.274943671e+01 1.178719646e+02 2.604928179e+02 7.917191178e+01 1.311453478e+02 1.46 2.696997655e+02 1.306685963e+02 1.740879161e+02 2.697245526e+02 2.697493398e+02 7.591022184e+01 1.081510589e+02 2.401325391e+02 7.214419224e+01 1.205847249e+02 1.48 2.490595944e+02 1.188737907e+02 1.602845700e+02 2.490842439e+02 2.491088935e+02 6.957302646e+01 9.914965340e+01 2.212457468e+02 6.566971898e+01 1.107890522e+02 1.50 2.298832045e+02 1.080441246e+02 1.474784815e+02 2.299077141e+02 2.299322238e+02 6.370324474e+01 9.081746822e+01 2.037305380e+02 5.970721135e+01 1.017059918e+02 1.52 2.120713849e+02 9.810430125e+01 1.356012063e+02 2.120957524e+02 2.121201199e+02 5.826855455e+01 8.310760011e+01 1.874918193e+02 5.421837421e+01 9.328664683e+01 1.54 1.955314211e+02 8.898471146e+01 1.245888282e+02 1.955556442e+02 1.955798673e+02 5.323877173e+01 7.597630274e+01 1.724408642e+02 4.916768650e+01 8.548534280e+01 1.56 1.801766820e+02 8.062101540e+01 1.143816691e+02 1.802007583e+02 1.802248347e+02 4.858571338e+01 6.938278087e+01 1.584948998e+02 4.452220462e+01 7.825942167e+01 1.58 1.659262322e+02 7.295375408e+01 1.049240159e+02 1.659501595e+02 1.659740867e+02 4.428306967e+01 6.328899759e+01 1.455767185e+02 4.025137951e+01 7.156904912e+01 1.60 1.527044685e+02 6.592798882e+01 9.616386496e+01 1.527282444e+02 1.527520203e+02 4.030628362e+01 5.765949381e+01 1.336143152e+02 3.632688646e+01 6.537703371e+01 1.62 1.404407793e+02 5.949296691e+01 8.805268275e+01 1.404644014e+02 1.404880235e+02 3.663243837e+01 5.246121917e+01 1.225405470e+02 3.272246689e+01 5.964865724e+01 1.64 1.290692247e+02 5.360181120e+01 8.054518130e+01 1.290926906e+02 1.291161565e+02 3.324015152e+01 4.766337387e+01 1.122928151e+02 2.941378108e+01 5.435151581e+01 1.66 1.185282366e+02 4.821123244e+01 7.359910794e+01 1.185515439e+02 1.185748512e+02 3.010947603e+01 4.323726050e+01 1.028127662e+02 2.637827131e+01 4.945537072e+01 1.68 1.087603381e+02 4.328126221e+01 6.717504827e+01 1.087834845e+02 1.088066308e+02 2.722180742e+01 3.915614541e+01 9.404601389e+01 2.359503457e+01 4.493200872e+01 1.70 9.971188008e+01 3.877500543e+01 6.123624157e+01 9.973486293e+01 9.975784579e+01 2.455979665e+01 3.539512890e+01 8.594187705e+01 2.104470416e+01 4.075511106e+01 1.72 9.133279373e+01 3.465841074e+01 5.574840790e+01 9.135561064e+01 9.137842755e+01 2.210726865e+01 3.193102384e+01 7.845313558e+01 1.870933967e+01 3.690013074e+01 1.74 8.357635970e+01 3.090005778e+01 5.067958614e+01 8.359900817e+01 8.362165663e+01 1.984914587e+01 2.874224202e+01 7.153580150e+01 1.657232460e+01 3.334417745e+01 1.76 7.639899093e+01 2.747095978e+01 4.599998237e+01 7.642146843e+01 7.644394593e+01 1.777137667e+01 2.580868781e+01 6.514890490e+01 1.461827131e+01 3.006590979e+01 1.78 6.976002949e+01 2.434438077e+01 4.168182781e+01 6.978233349e+01 6.980463748e+01 1.586086824e+01 2.311165877e+01 5.925429357e+01 1.283293255e+01 2.704543432e+01 1.80 6.362155618e+01 2.149566606e+01 3.769924586e+01 6.364368410e+01 6.366581203e+01 1.410542384e+01 2.063375261e+01 5.381644563e+01 1.120311932e+01 2.426421094e+01 1.82 5.794821209e+01 1.890208526e+01 3.402812763e+01 5.797016136e+01 5.799211062e+01 1.249368386e+01 1.835878016e+01 4.880229424e+01 9.716624478e+00 2.170496428e+01 1.84 5.270703156e+01 1.654268667e+01 3.064601537e+01 5.272879955e+01 5.275056755e+01 1.101507084e+01 1.627168409e+01 4.418106366e+01 8.362151750e+00 1.935160075e+01 1.86 4.786728562e+01 1.439816264e+01 2.753199340e+01 4.788886971e+01 4.791045380e+01 9.659737759e+00 1.435846276e+01 3.992411593e+01 7.129249808e+00 1.718913078e+01 1.88 4.340033545e+01 1.245072460e+01 2.466658607e+01 4.342173298e+01 4.344313051e+01 8.418519834e+00 1.260609918e+01 3.600480751e+01 6.008250977e+00 1.520359610e+01 1.90 3.927949512e+01 1.068398749e+01 2.203166218e+01 3.930070341e+01 3.932191169e+01 7.282889252e+00 1.100249450e+01 3.239835527e+01 4.990214309e+00 1.338200159e+01 1.92 3.547990306e+01 9.082862737e+00 1.961034562e+01 3.550091940e+01 3.552193574e+01 6.244912871e+00 9.536405876e+00 2.908171117e+01 4.066872702e+00 1.171225157e+01 1.94 3.197840180e+01 7.633459077e+00 1.738693175e+01 3.199922346e+01 3.202004513e+01 5.297212620e+00 8.197388426e+00 2.603344515e+01 3.230583774e+00 1.018309003e+01 1.96 2.875342530e+01 6.322990843e+00 1.534680920e+01 2.877404954e+01 2.879467379e+01 4.432928436e+00 6.975740959e+00 2.323363570e+01 2.474284250e+00 8.784044869e+00 1.98 2.578489360e+01 5.139693041e+00 1.347638667e+01 2.580531766e+01 2.582574171e+01 3.645683605e+00 5.862455294e+00 2.066376757e+01 1.791447583e+00 7.505375556e+00 2.00 2.305411419e+01 4.072742761e+00 1.176302456e+01 2.307433524e+01 2.309455630e+01 2.929552327e+00 4.849168912e+00 1.830663622e+01 1.176044623e+00 6.338024281e+00 2.02 2.054368964e+01 3.112186480e+00 1.019497093e+01 2.056370487e+01 2.058372011e+01 2.279029382e+00 3.928120727e+00 1.614625855e+01 6.225070794e-01 5.273570192e+00 2.04 1.823743134e+01 2.248872793e+00 8.761301759e+00 1.825723791e+01 1.827704449e+01 1.689001772e+00 3.092109783e+00 1.416778952e+01 1.256936183e-01 4.304186615e+00 2.06 1.612027869e+01 1.474390208e+00 7.451864972e+00 1.613987373e+01 1.615946876e+01 1.154722190e+00 2.334456690e+00 1.235744423e+01 -3.191416226e-01 3.422601043e+00 2.08 1.417822354e+01 7.810096134e-01 6.257228198e+00 1.419760414e+01 1.421698474e+01 6.717842337e-01 1.648967624e+00 1.070242526e+01 -7.163782497e-01 2.622057720e+00 2.10 1.239823952e+01 1.616310807e-01 5.168629923e+00 1.241740277e+01 1.243656602e+01 2.360992192e-01 1.029900711e+00 9.190854752e+00 -1.070056730e+00 1.896282660e+00 2.12 1.076821603e+01 -3.902653059e-01 4.177933844e+00 1.078715898e+01 1.080610192e+01 -1.561254733e-01 4.719346631e-01 7.811710994e+00 -1.383903553e+00 1.239450950e+00 2.14 9.276896395e+00 -8.806649092e-01 3.277586224e+00 9.295616069e+00 9.314335742e+00 -5.084066425e-01 -2.986049509e-02 6.554769290e+00 -1.661354579e+00 6.461561840e-01 2.16 7.913820157e+00 -1.315060536e+00 2.460576054e+00 7.932313561e+00 7.950806965e+00 -8.240041757e-01 -4.800507358e-01 5.410546729e+00 -1.905576696e+00 1.113819043e-01 2.18 6.669269098e+00 -1.698491255e+00 1.720397846e+00 6.687533210e+00 6.705797322e+00 -1.105938713e+00 -8.828635102e-01 4.370250659e+00 -2.119487913e+00 -3.695250886e-01 2.20 5.534216793e+00 -2.035578240e+00 1.051016879e+00 5.552248565e+00 5.570280337e+00 -1.357008144e+00 -1.242211510e+00 3.425730626e+00 -2.305775995e+00 -8.008796667e-01 2.22 4.500281474e+00 -2.330557893e+00 4.468367504e-01 4.518077832e+00 4.535874191e+00 -1.579803013e+00 -1.561714829e+00 2.569433528e+00 -2.466915741e+00 -1.186681663e+00 2.24 3.559682000e+00 -2.587312415e+00 -9.733091590e-02 3.577239845e+00 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