# 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 = Al3Pb # 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 1.681587720e+02 nan nan 1.16 1.562932629e+02 nan nan 1.18 1.453044396e+02 nan nan 1.20 1.351197801e+02 nan nan 1.22 1.256726757e+02 nan nan 1.24 1.169021339e+02 nan nan 1.26 1.087527594e+02 nan nan 1.28 1.011750568e+02 1.486472128e+02 1.679483225e+02 1.30 9.412503717e+01 1.390485944e+02 1.573316087e+02 1.32 8.756256417e+01 1.300920888e+02 1.474195957e+02 1.34 8.144985342e+01 1.217299860e+02 1.381589501e+02 1.36 7.575150062e+01 1.139174859e+02 1.295001094e+02 1.38 7.043542807e+01 1.066118941e+02 1.213979256e+02 1.40 6.547321995e+01 9.977340763e+01 1.138121010e+02 1.42 6.083936558e+01 9.336634801e+01 1.067063875e+02 1.44 5.651027457e+01 8.735974169e+01 1.000473345e+02 1.46 5.246388794e+01 8.172692317e+01 9.380380844e+01 1.48 4.868046365e+01 7.644438792e+01 8.794721008e+01 1.50 4.514799651e+01 7.149043275e+01 8.245152463e+01 1.52 4.185287973e+01 6.684422097e+01 7.729277478e+01 1.54 3.878252227e+01 6.248550788e+01 7.244822943e+01 1.56 3.592045032e+01 5.839475836e+01 6.789590238e+01 1.58 3.325111595e+01 5.455333554e+01 6.361460565e+01 1.60 3.076018800e+01 5.094366195e+01 5.958443334e+01 1.62 2.843461189e+01 4.755088633e+01 5.578731472e+01 1.64 2.626256107e+01 4.436547115e+01 5.220731448e+01 1.66 2.423335284e+01 4.137692285e+01 4.883061454e+01 1.68 2.233733429e+01 3.857586060e+01 4.564937746e+01 1.70 2.056573218e+01 3.595058938e+01 4.265609720e+01 1.72 1.891048020e+01 3.348988914e+01 3.984352896e+01 1.74 1.736404255e+01 3.118278973e+01 3.720079602e+01 1.76 1.591925642e+01 2.901854193e+01 3.471727571e+01 1.78 1.456924608e+01 2.698677632e+01 3.238291142e+01 1.80 1.330744037e+01 2.507775314e+01 3.018822243e+01 1.82 1.212768133e+01 2.328260048e+01 2.812433103e+01 1.84 1.102434407e+01 2.159344442e+01 2.618302069e+01 1.86 9.992390690e+00 2.000339135e+01 2.435678266e+01 1.88 9.027315843e+00 1.850641467e+01 2.263880060e+01 1.90 8.125015035e+00 1.709719556e+01 2.102284290e+01 1.92 7.281653044e+00 1.577096457e+01 1.950310737e+01 1.94 6.493597142e+00 1.452335902e+01 1.807408336e+01 1.96 5.757411334e+00 1.335029989e+01 1.673046943e+01 1.98 5.069882369e+00 1.224790331e+01 1.546714389e+01 2.00 4.428044913e+00 1.121243111e+01 1.427915629e+01 2.02 3.829195474e+00 1.024027813e+01 1.316173241e+01 2.04 3.270889431e+00 9.327976486e+00 1.211029668e+01 2.06 2.750921402e+00 8.472197075e+00 1.112051879e+01 2.08 2.267281037e+00 7.669736606e+00 1.018837824e+01 2.10 1.818092648e+00 6.917495441e+00 9.310219309e+00 2.12 1.401550747e+00 6.212459029e+00 8.482778176e+00 2.14 1.015868661e+00 5.551694068e+00 7.703172594e+00 2.16 6.592495829e-01 4.932365074e+00 6.968860049e+00 2.18 3.298752552e-01 4.351767386e+00 6.277576293e+00 2.20 2.590934426e-02 3.807364937e+00 5.627261897e+00 2.22 -2.544923117e-01 3.296823834e+00 5.015994008e+00 2.24 -5.131526956e-01 2.818029355e+00 4.441922918e+00 2.26 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-2.800315158e+00 -2.020584721e+00 -1.546413800e+00 2.64 -2.831003994e+00 -2.122664189e+00 -1.692914402e+00 2.66 -2.855306604e+00 -2.216320613e+00 -1.828705158e+00 2.68 -2.873659981e+00 -2.302358608e+00 -1.954193411e+00 2.70 -2.886638335e+00 -2.381444089e+00 -2.069738055e+00 2.72 -2.894892114e+00 -2.454168764e+00 -2.175663094e+00 2.74 -2.899053434e+00 -2.521464067e+00 -2.272271679e+00 2.76 -2.899689356e+00 -2.584271696e+00 -2.359862365e+00 2.78 -2.897275530e+00 -2.642961550e+00 -2.438748523e+00 2.80 -2.892190138e+00 -2.697179947e+00 -2.509280507e+00 2.82 -2.884720973e+00 -2.746657657e+00 -2.572039395e+00 2.84 -2.875081764e+00 -2.791196278e+00 -2.629075567e+00 2.86 -2.863430030e+00 -2.830655255e+00 -2.680811549e+00 2.88 -2.849884187e+00 -2.864941636e+00 -2.727296743e+00 2.90 -2.834538019e+00 -2.894003379e+00 -2.768705479e+00 2.92 -2.817471331e+00 -2.917829210e+00 -2.805301395e+00 2.94 -2.798761302e+00 -2.936456801e+00 -2.837395656e+00 2.96 -2.778482374e+00 -2.949981928e+00 -2.865305536e+00 2.98 -2.756712397e+00 -2.958566315e+00 -2.889325355e+00 3.00 -2.733532036e+00 -2.962432677e+00 -2.909702277e+00 3.02 -2.709039532e+00 -2.961871145e+00 -2.926643800e+00 3.04 -2.683325986e+00 -2.957239167e+00 -2.940329679e+00 3.06 -2.656450657e+00 -2.948954388e+00 -2.950897751e+00 3.08 -2.628472704e+00 -2.937472465e+00 -2.958455028e+00 3.10 -2.599448840e+00 -2.923262553e+00 -2.963090179e+00 3.12 -2.569431752e+00 -2.906776864e+00 -2.964882976e+00 3.14 -2.538469681e+00 -2.888426599e+00 -2.963910483e+00 3.16 -2.506607161e+00 -2.868560404e+00 -2.960250469e+00 3.18 -2.473886710e+00 -2.847458402e+00 -2.953982748e+00 3.20 -2.440351163e+00 -2.825332408e+00 -2.945189070e+00 3.22 -2.406045706e+00 -2.802333293e+00 -2.933952816e+00 3.24 -2.371017069e+00 -2.778561717e+00 -2.920357112e+00 3.26 -2.335316831e+00 -2.754079663e+00 -2.904484270e+00 3.28 -2.299005109e+00 -2.728921188e+00 -2.886414816e+00 3.30 -2.262150180e+00 -2.703102892e+00 -2.866227199e+00 3.32 -2.224827307e+00 -2.676648906e+00 -2.843998234e+00 3.34 -2.187116851e+00 -2.649553055e+00 -2.819804470e+00 3.36 -2.149101960e+00 -2.621800541e+00 -2.793724622e+00 3.38 -2.110865935e+00 -2.593382554e+00 -2.765854046e+00 3.40 -2.072489721e+00 -2.564298487e+00 -2.736296816e+00 3.42 -2.034048708e+00 -2.534557835e+00 -2.705149437e+00 3.44 -1.995614863e+00 -2.504180036e+00 -2.672530719e+00 3.46 -1.957249450e+00 -2.473194842e+00 -2.638585861e+00 3.48 -1.919006946e+00 -2.441641364e+00 -2.603488205e+00 3.50 -1.880933985e+00 -2.409566751e+00 -2.567437163e+00 3.52 -1.843069880e+00 -2.377024467e+00 -2.530656548e+00 3.54 -1.805447163e+00 -2.344071592e+00 -2.493380614e+00 3.56 -1.768092140e+00 -2.310764306e+00 -2.455846219e+00 3.58 -1.731025162e+00 -2.277159527e+00 -2.418279052e+00 3.60 -1.694260658e+00 -2.243314280e+00 -2.380881507e+00 3.62 -1.657806948e+00 -2.209284322e+00 -2.343822457e+00 3.64 -1.621665935e+00 -2.175123074e+00 -2.307229377e+00 3.66 -1.585832757e+00 -2.140880776e+00 -2.271189922e+00 3.68 -1.550295476e+00 -2.106603820e+00 -2.235754535e+00 3.70 -1.515034885e+00 -2.072334167e+00 -2.200941047e+00 3.72 -1.480024460e+00 -2.038108808e+00 -2.166740706e+00 3.74 -1.445230532e+00 -2.003959225e+00 -2.133124538e+00 3.76 -1.410612737e+00 -1.969910866e+00 -2.100049280e+00 3.78 -1.376124798e+00 -1.935982691e+00 -2.067462478e+00 3.80 -1.341715752e+00 -1.902186869e+00 -2.035306618e+00 3.82 -1.307331666e+00 -1.868528716e+00 -2.003522378e+00 3.84 -1.272917942e+00 -1.835006939e+00 -1.972051168e+00 3.86 -1.238422244e+00 -1.801614213e+00 -1.940837138e+00 3.88 -1.203798043e+00 -1.768338055e+00 -1.909828819e+00 3.90 -1.169008723e+00 -1.735161902e+00 -1.878980481e+00 3.92 -1.134031772e+00 -1.702065972e+00 -1.848252837e+00 3.94 -1.098864498e+00 -1.669029843e+00 -1.817615533e+00 3.96 -1.063526395e+00 -1.636031286e+00 -1.787045088e+00 3.98 -1.028063704e+00 -1.603048703e+00 -1.756526882e+00 4.00 -9.925507932e-01 -1.570061385e+00 -1.726054497e+00 4.02 -9.570897277e-01 -1.537050014e+00 -1.695629161e+00 4.04 -9.218072388e-01 -1.503997067e+00 -1.665258883e+00 4.06 -8.868489546e-01 -1.470887224e+00 -1.634957351e+00 4.08 -8.523711782e-01 -1.437707891e+00 -1.604742672e+00 4.10 -8.185309501e-01 -1.404448937e+00 -1.574636072e+00 4.12 -7.854755092e-01 -1.371108006e+00 -1.544660627e+00 4.14 -7.533324449e-01 -1.337685233e+00 -1.514840120e+00 4.16 -7.222017698e-01 -1.304189643e+00 -1.485198054e+00 4.18 -6.921508254e-01 -1.270639816e+00 -1.455756864e+00 4.20 -6.632124453e-01 -1.237065783e+00 -1.426537323e+00 4.22 -6.353864283e-01 -1.203510651e+00 -1.397558120e+00 4.24 -6.086435368e-01 -1.170031613e+00 -1.368835593e+00 4.26 -5.829316783e-01 -1.136700025e+00 -1.340383565e+00 4.28 -5.581831068e-01 -1.103600263e+00 -1.312213245e+00 4.30 -5.343219790e-01 -1.070827225e+00 -1.284333162e+00 4.32 -5.112715745e-01 -1.038482501e+00 -1.256749108e+00 4.34 -4.889606751e-01 -1.006669473e+00 -1.229464055e+00 4.36 -4.673281845e-01 -9.754877976e-01 -1.202478070e+00 4.38 -4.463291684e-01 -9.450278437e-01 -1.175788207e+00 4.40 -4.259333652e-01 -9.153657092e-01 -1.149388405e+00 4.42 -4.061282174e-01 -8.865593330e-01 -1.123269389e+00 4.44 -3.869170920e-01 -8.586460551e-01 -1.097418597e+00 4.46 -3.683167309e-01 -8.316417442e-01 -1.071820121e+00 4.48 -3.503535496e-01 -8.055413931e-01 -1.046454687e+00 4.50 -3.330591917e-01 -7.803209122e-01 -1.021299651e+00 4.52 -3.164653087e-01 -7.559397553e-01 -9.963277992e-01 4.54 -3.006012667e-01 -7.323439944e-01 -9.715125304e-01 4.56 -2.854870190e-01 -7.094695072e-01 -9.468199341e-01 4.58 -2.711327455e-01 -6.872450194e-01 -9.222145631e-01 4.60 -2.575367175e-01 -6.655948421e-01 -8.976582086e-01 4.62 -2.446849785e-01 -6.444412363e-01 -8.731102691e-01 4.64 -2.325520805e-01 -6.237064026e-01 -8.485282710e-01 4.66 -2.211026317e-01 -6.033141536e-01 -8.238685823e-01 4.68 -2.102933758e-01 -5.831913479e-01 -7.990873577e-01 4.70 -2.000755311e-01 -5.632691807e-01 -7.741417518e-01 4.72 -1.903971622e-01 -5.434844192e-01 -7.489914285e-01 4.74 -1.812054038e-01 -5.237806549e-01 -7.236003788e-01 4.76 -1.724484515e-01 -5.041096214e-01 -6.979390401e-01 4.78 -1.640772560e-01 -4.844325924e-01 -6.719866739e-01 4.80 -1.560468827e-01 -4.647211194e-01 -6.457339235e-01 4.82 -1.483175619e-01 -4.449614673e-01 -6.191854237e-01 4.84 -1.408554460e-01 -4.251512968e-01 -5.923622853e-01 4.86 -1.336327098e-01 -4.053040021e-01 -5.653042305e-01 4.88 -1.266281111e-01 -3.854485417e-01 -5.380711224e-01 4.90 -1.198279359e-01 -3.656295327e-01 -5.107436220e-01 4.92 -1.132243243e-01 -3.459066054e-01 -4.834227282e-01 4.94 -1.068147954e-01 -3.263529098e-01 -4.562280264e-01 4.96 -1.006015211e-01 -3.070527376e-01 -4.292945738e-01 4.98 -9.459036054e-02 -2.880983221e-01 -4.027684943e-01 5.00 -8.878972879e-02 -2.695859800e-01 -3.768015115e-01 5.02 -8.320938486e-02 -2.516118542e-01 -3.515447920e-01 5.04 -7.785923049e-02 -2.342675839e-01 -3.271425843e-01 5.06 -7.274820865e-02 -2.176362527e-01 -3.037261794e-01 5.08 -6.788337966e-02 -2.017889433e-01 -2.814086963e-01 5.10 -6.326923194e-02 -1.867821523e-01 -2.602810979e-01 5.12 -5.890725825e-02 -1.726562216e-01 -2.404096912e-01 5.14 -5.479580848e-02 -1.594348208e-01 -2.218351958e-01 5.16 -5.093017793e-02 -1.471254070e-01 -2.045732925e-01 5.18 -4.730290378e-02 -1.357205023e-01 -1.886164329e-01 5.20 -4.390421311e-02 -1.251995718e-01 -1.739365998e-01 5.22 -4.072256575e-02 -1.155312697e-01 -1.604886750e-01 5.24 -3.774523017e-02 -1.066758236e-01 -1.482140808e-01 5.26 -3.495885479e-02 -9.858738873e-02 -1.370444088e-01 5.28 -3.235000290e-02 -9.121621442e-02 -1.269048157e-01 5.30 -2.990561094e-02 -8.451053384e-02 -1.177170242e-01 5.32 -2.761336061e-02 -7.841812395e-02 -1.094018689e-01 5.34 -2.546195692e-02 -7.288754525e-02 -1.018813437e-01 5.36 -2.344131076e-02 -6.786906127e-02 -9.508015732e-02 5.38 -2.154262929e-02 -6.331475032e-02 -8.892685058e-02 5.40 -1.975816333e-02 -5.918011428e-02 -8.335453711e-02 5.42 -1.808156954e-02 -5.542403598e-02 -7.830131267e-02 5.44 -1.650786651e-02 -5.200829002e-02 -7.370985891e-02 5.46 -1.503296221e-02 -4.889745871e-02 -6.952878675e-02 5.48 -1.365345969e-02 -4.605941699e-02 -6.571193336e-02 5.50 -1.236644872e-02 -4.346494258e-02 -6.221766059e-02 5.52 -1.116930027e-02 -4.108749409e-02 -5.900863052e-02 5.54 -1.005947878e-02 -3.890306866e-02 -5.605109945e-02 5.56 -9.034383939e-03 -3.689003754e-02 -5.331630814e-02 5.58 -8.091230224e-03 -3.502897104e-02 -5.077747505e-02 5.60 -7.226967703e-03 -3.330246079e-02 -4.841131403e-02 5.62 -6.438243964e-03 -3.169494496e-02 -4.619723523e-02 5.64 -5.721403241e-03 -3.019254084e-02 -4.411705037e-02 5.66 -5.072516364e-03 -2.878288480e-02 -4.215470458e-02 5.68 -4.487433645e-03 -2.745498598e-02 -4.029603217e-02 5.70 -3.961852399e-03 -2.619909194e-02 -3.852854432e-02 5.72 -3.491391254e-03 -2.500656704e-02 -3.684124294e-02 5.74 -3.071664598e-03 -2.386978416e-02 -3.522445960e-02 5.76 -2.698351946e-03 -2.278202959e-02 -3.366971875e-02 5.78 -2.367258621e-03 -2.173742055e-02 -3.216962296e-02 5.80 -2.074365697e-03 -2.073083477e-02 -3.071775820e-02 5.82 -1.815868374e-03 -1.975785095e-02 -2.930861681e-02 5.84 -1.588203008e-03 -1.881469905e-02 -2.793753545e-02 5.86 -1.388063692e-03 -1.789821876e-02 -2.660064550e-02 5.88 -1.212409719e-03 -1.700582462e-02 -2.529483290e-02 5.90 -1.058465474e-03 -1.613547567e-02 -2.401770428e-02 5.92 -9.237143202e-04 -1.528564774e-02 -2.276755615e-02 5.94 -8.058879701e-04 -1.445529911e-02 -2.154334197e-02 5.96 -7.029526709e-04 -1.364375714e-02 -2.034450685e-02 5.98 -6.130933411e-04 -1.285086676e-02 -1.917116691e-02 6.00 -5.346965961e-04 -1.207689920e-02 -1.802406478e-02