# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Samolyuk-G-D-Beland-L-K-Stocks-G-M-Stoller-R-E--Ni-Pd # implementation = 2016--Samolyuk-G-D--Ni-Pd--LAMMPS--ipr1 # composition = Ni # 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 2024-11-27 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 nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 6.842890959e+02 nan 0.80 nan nan nan nan nan nan nan nan 6.106299370e+02 nan 0.82 nan nan nan nan nan nan nan nan 5.477072348e+02 nan 0.84 nan nan nan nan nan nan nan nan 4.938739356e+02 nan 0.86 nan nan nan nan nan 4.462382228e+02 nan nan 4.479180893e+02 nan 0.88 nan nan nan nan nan 4.068502684e+02 nan nan 4.087117128e+02 nan 0.90 nan nan nan nan nan 3.698589874e+02 nan nan 3.751060005e+02 nan 0.92 nan nan nan nan nan 3.355617658e+02 nan nan 3.437873057e+02 nan 0.94 nan nan nan nan nan 3.039414076e+02 nan nan 3.139356636e+02 nan 0.96 nan nan nan 5.964924413e+02 5.967105926e+02 2.749167763e+02 nan nan 2.858253297e+02 3.975883502e+02 0.98 nan nan nan 5.438564898e+02 5.439686322e+02 2.483626463e+02 nan nan 2.595439481e+02 3.681661426e+02 1.00 nan 3.101408941e+02 nan 4.974274335e+02 4.974321912e+02 2.240910498e+02 3.334936004e+02 nan 2.351202278e+02 3.415618331e+02 1.02 nan 2.850065349e+02 nan 4.561157851e+02 4.560224058e+02 2.018962830e+02 3.080614611e+02 nan 2.125191283e+02 3.153259312e+02 1.04 nan 2.609759890e+02 nan 4.193395382e+02 4.191687711e+02 1.816708559e+02 2.833405648e+02 nan 1.917391074e+02 2.898160858e+02 1.06 nan 2.383609945e+02 nan 3.866572251e+02 3.864442741e+02 1.633130128e+02 2.597146482e+02 nan 1.727486031e+02 2.654036684e+02 1.08 nan 2.172781270e+02 nan 3.576341797e+02 3.574472149e+02 1.467037254e+02 2.374111382e+02 nan 1.554755257e+02 2.422826934e+02 1.10 3.320579635e+02 1.978031854e+02 2.960275249e+02 3.319592239e+02 3.318646745e+02 1.317149245e+02 2.165354747e+02 3.068644778e+02 1.398080209e+02 2.206078413e+02 1.12 3.087382306e+02 1.799509899e+02 2.739627083e+02 3.087436562e+02 3.087459087e+02 1.181160442e+02 1.970827278e+02 2.838688472e+02 1.255990670e+02 2.004668424e+02 1.14 2.860873563e+02 1.636195124e+02 2.527240479e+02 2.861654023e+02 2.862354413e+02 1.057624428e+02 1.790475071e+02 2.618389566e+02 1.127264856e+02 1.818875979e+02 1.16 2.643372463e+02 1.486377140e+02 2.325396740e+02 2.644556256e+02 2.645644325e+02 9.458380338e+01 1.624185635e+02 2.410438164e+02 1.010839662e+02 1.648535526e+02 1.18 2.437546292e+02 1.349268838e+02 2.135414329e+02 2.438816437e+02 2.440009636e+02 8.450925248e+01 1.471597684e+02 2.216183793e+02 9.057603634e+01 1.493171848e+02 1.20 2.245047290e+02 1.223728641e+02 1.957872560e+02 2.246110674e+02 2.247139455e+02 7.546655976e+01 1.332121900e+02 2.035777024e+02 8.108637354e+01 1.352099990e+02 1.22 2.066560081e+02 1.108974958e+02 1.792822182e+02 2.067183182e+02 2.067816301e+02 6.738283350e+01 1.205019567e+02 1.868525469e+02 7.252579628e+01 1.224421316e+02 1.24 1.900333383e+02 1.004006543e+02 1.640130802e+02 1.900566560e+02 1.900844502e+02 6.018634770e+01 1.089458223e+02 1.713386729e+02 6.482184855e+01 1.108506983e+02 1.26 1.745781975e+02 9.078957199e+01 1.499642853e+02 1.745753677e+02 1.745792258e+02 5.380789904e+01 9.846437490e+01 1.570008687e+02 5.790998941e+01 1.003187159e+02 1.28 1.602575969e+02 8.199100782e+01 1.370984311e+02 1.602423775e+02 1.602345092e+02 4.818060179e+01 8.898397446e+01 1.437808213e+02 5.172823023e+01 9.074453827e+01 1.30 1.470222658e+02 7.395423738e+01 1.253324443e+02 1.470063861e+02 1.469969338e+02 4.321023948e+01 8.040835628e+01 1.316084811e+02 4.620716020e+01 8.203824640e+01 1.32 1.348157629e+02 6.662805012e+01 1.145151884e+02 1.348032008e+02 1.347948010e+02 3.874773202e+01 7.263482123e+01 1.204090485e+02 4.124380027e+01 7.412855627e+01 1.34 1.235705142e+02 5.995934066e+01 1.045753808e+02 1.235639873e+02 1.235583995e+02 3.473384723e+01 6.558690961e+01 1.101007367e+02 3.678031139e+01 6.694701722e+01 1.36 1.132103608e+02 5.389484827e+01 9.544322773e+01 1.132116991e+02 1.132101514e+02 3.111860285e+01 5.919839373e+01 1.005968026e+02 3.276800924e+01 6.042716363e+01 1.38 1.036544445e+02 4.838272296e+01 8.704570307e+01 1.036639869e+02 1.036669576e+02 2.785473648e+01 5.340697300e+01 9.181839058e+01 2.916130889e+01 5.450439723e+01 1.40 9.481986873e+01 4.337263638e+01 7.930852352e+01 9.483600069e+01 9.484313361e+01 2.489733977e+01 4.815227684e+01 8.371608338e+01 2.591739961e+01 4.911542867e+01 1.42 8.663354014e+01 3.881676016e+01 7.216484943e+01 8.665287176e+01 8.666306218e+01 2.220735500e+01 4.337964423e+01 7.623864441e+01 2.298543005e+01 4.420417123e+01 1.44 7.906387678e+01 3.467344946e+01 6.557691621e+01 7.908220903e+01 7.909382373e+01 1.976169654e+01 3.904935566e+01 6.934691408e+01 2.030429975e+01 3.973857836e+01 1.46 7.208600487e+01 3.090347936e+01 5.951360019e+01 7.209989691e+01 7.211110376e+01 1.754180498e+01 3.508408391e+01 6.301220194e+01 1.785289837e+01 3.569323619e+01 1.48 6.567260498e+01 2.746949542e+01 5.394330131e+01 6.567997273e+01 6.568899450e+01 1.552613363e+01 3.143911741e+01 5.720464951e+01 1.561369422e+01 3.204430011e+01 1.50 5.978211123e+01 2.434090654e+01 4.883358826e+01 5.978210681e+01 5.978742794e+01 1.368996009e+01 2.809258225e+01 5.188513892e+01 1.357325142e+01 2.874343838e+01 1.52 5.435309330e+01 2.149312095e+01 4.415073167e+01 5.434600016e+01 5.434654898e+01 1.201130539e+01 2.502335996e+01 4.700174935e+01 1.171992403e+01 2.570576572e+01 1.54 4.935596707e+01 1.890261404e+01 3.986010205e+01 4.934277713e+01 4.933794774e+01 1.047058889e+01 2.221144888e+01 4.252402255e+01 1.004122242e+01 2.291173525e+01 1.56 4.476298357e+01 1.654663382e+01 3.592745968e+01 4.474509308e+01 4.473479437e+01 9.050922971e+00 1.963850818e+01 3.842292991e+01 8.519488825e+00 2.034612740e+01 1.58 4.054666359e+01 1.440351557e+01 3.232133150e+01 4.052583734e+01 4.051058612e+01 7.768593065e+00 1.728790849e+01 3.467002488e+01 7.137419658e+00 1.799450532e+01 1.60 3.668014053e+01 1.245308000e+01 2.901698050e+01 3.665838288e+01 3.663931551e+01 6.627974544e+00 1.514456776e+01 3.123766521e+01 5.880035920e+00 1.584323243e+01 1.62 3.313739738e+01 1.067686244e+01 2.599180896e+01 3.311664239e+01 3.309541957e+01 5.613919507e+00 1.319465725e+01 2.809926409e+01 4.734061154e+00 1.387948817e+01 1.64 2.989290115e+01 9.061531717e+00 2.322423445e+01 2.987476617e+01 2.985339987e+01 4.712392436e+00 1.142524169e+01 2.522907117e+01 3.690592174e+00 1.209081282e+01 1.66 2.692179152e+01 7.598520629e+00 2.069396829e+01 2.690755959e+01 2.688815892e+01 3.910539097e+00 9.824263460e+00 2.260224844e+01 2.772347792e+00 1.046495268e+01 1.68 2.420021626e+01 6.280128447e+00 1.838204535e+01 2.419071320e+01 2.417515407e+01 3.196489079e+00 8.380385112e+00 2.019507823e+01 1.976660797e+00 8.990017280e+00 1.70 2.170543744e+01 5.097501763e+00 1.627070809e+01 2.170093581e+01 2.169061339e+01 2.559212561e+00 7.070220297e+00 1.798500876e+01 1.291775985e+00 7.652862676e+00 1.72 1.941566544e+01 4.037203647e+00 1.434321317e+01 1.941604087e+01 1.941183055e+01 1.988415855e+00 5.867270945e+00 1.595063886e+01 7.030535544e-01 6.436615093e+00 1.74 1.730983628e+01 3.063796881e+00 1.258358515e+01 1.731485442e+01 1.731716178e+01 1.474461024e+00 4.758723469e+00 1.407163163e+01 1.870291070e-01 5.325088845e+00 1.76 1.536773111e+01 2.159235255e+00 1.097666915e+01 1.537724732e+01 1.538606566e+01 1.008506424e+00 3.733524803e+00 1.232928368e+01 -2.670506148e-01 4.303464490e+00 1.78 1.357037842e+01 1.317170798e+00 9.508427660e+00 1.358428380e+01 1.359920880e+01 5.828333731e-01 2.781842509e+00 1.071095495e+01 -6.681771787e-01 3.358347756e+00 1.80 1.190008689e+01 5.326586770e-01 8.165896535e+00 1.191816132e+01 1.193842084e+01 1.909129022e-01 1.894768343e+00 9.207920383e+00 -1.024791315e+00 2.477600426e+00 1.82 1.034224675e+01 -1.771796417e-01 6.938244677e+00 1.036400197e+01 1.038851298e+01 -1.724532487e-01 1.072110481e+00 7.812939609e+00 -1.344249992e+00 1.671404608e+00 1.84 8.890664579e+00 -7.986344722e-01 5.802705702e+00 8.915332653e+00 8.942786590e+00 -5.097277329e-01 3.364594972e-01 6.521886933e+00 -1.631338139e+00 9.499575328e-01 1.86 7.541601707e+00 -1.335514348e+00 4.739541968e+00 7.568187534e+00 7.597146336e+00 -8.226444833e-01 -3.150964894e-01 5.331380182e+00 -1.889651401e+00 3.065020248e-01 1.88 6.291829843e+00 -1.791590224e+00 3.741993118e+00 6.319146871e+00 6.348117664e+00 -1.112611863e+00 -8.880814883e-01 4.235363179e+00 -2.121990284e+00 -2.653720648e-01 1.90 5.138030713e+00 -2.187391216e+00 2.804826661e+00 5.164740523e+00 5.192249436e+00 -1.380665310e+00 -1.387825984e+00 3.226758395e+00 -2.330445421e+00 -7.716275466e-01 1.92 4.074124217e+00 -2.539038183e+00 1.924197636e+00 4.098796099e+00 4.123476703e+00 -1.627488293e+00 -1.819461559e+00 2.299522028e+00 -2.516764315e+00 -1.217784896e+00 1.94 3.093697143e+00 -2.849828634e+00 1.097365563e+00 3.114905603e+00 3.135584059e+00 -1.853427654e+00 -2.187950355e+00 1.448472516e+00 -2.682510233e+00 -1.608961570e+00 1.96 2.191143583e+00 -3.123082882e+00 3.224243876e-01 2.207658564e+00 2.223433532e+00 -2.058502847e+00 -2.498071442e+00 6.691358960e-01 -2.829086040e+00 -1.949856587e+00 1.98 1.361379302e+00 -3.361972635e+00 -3.903524725e-01 1.372379729e+00 1.382689281e+00 -2.242417123e+00 -2.754400169e+00 -4.226578076e-02 -2.957681611e+00 -2.244728359e+00 2.00 6.000232486e-01 -3.569457396e+00 -1.022501808e+00 6.051451787e-01 6.097627294e-01 -2.404694345e+00 -2.965645215e+00 -6.728459229e-01 -3.069240569e+00 -2.497372669e+00 2.02 -9.649932469e-02 -3.748226881e+00 -1.576309507e+00 -9.724135256e-02 -9.827229873e-02 -2.544898741e+00 -3.140359864e+00 -1.210380927e+00 -3.164491749e+00 -2.711100135e+00 2.04 -7.146557618e-01 -3.900638835e+00 -2.054648952e+00 -7.211128514e-01 -7.276935003e-01 -2.662729494e+00 -3.282179414e+00 -1.658933702e+00 -3.243932543e+00 -2.888712627e+00 2.06 -1.243843643e+00 -4.028653477e+00 -2.460515164e+00 -1.255424264e+00 -1.267039742e+00 -2.758085799e+00 -3.394371115e+00 -2.042535791e+00 -3.307809456e+00 -3.032477687e+00 2.08 -1.687692144e+00 -4.133785031e+00 -2.797047814e+00 -1.703606646e+00 -1.719525989e+00 -2.831097878e+00 -3.479717249e+00 -2.377111601e+00 -3.356128686e+00 -3.144120066e+00 2.10 -2.049596512e+00 -4.217230210e+00 -3.067440614e+00 -2.068908580e+00 -2.088220712e+00 -2.882046120e+00 -3.540457444e+00 -2.665233405e+00 -3.388685545e+00 -3.225005064e+00 2.12 -2.355870427e+00 -4.282921993e+00 -3.290287977e+00 -2.377531199e+00 -2.399191971e+00 -2.919009549e+00 -3.586167975e+00 -2.917039165e+00 -3.410996165e+00 -3.287943091e+00 2.14 -2.633428840e+00 -4.334780110e+00 -3.484673484e+00 -2.656319108e+00 -2.679209377e+00 -2.950395500e+00 -3.626388126e+00 -3.142804373e+00 -3.428850526e+00 -3.346070799e+00 2.16 -2.884225836e+00 -4.373547930e+00 -3.653095565e+00 -2.907221026e+00 -2.930216217e+00 -2.976392430e+00 -3.662116325e+00 -3.344429689e+00 -3.441945341e+00 -3.399941677e+00 2.18 -3.110090075e+00 -4.399930109e+00 -3.797986263e+00 -3.132141157e+00 -3.154192238e+00 -2.997220702e+00 -3.694106681e+00 -3.523726612e+00 -3.450095504e+00 -3.449906686e+00 2.20 -3.312733073e+00 -4.414628128e+00 -3.921674893e+00 -3.332945397e+00 -3.353157721e+00 -3.013110516e+00 -3.722892961e+00 -3.682426461e+00 -3.453222854e+00 -3.496139761e+00 2.22 -3.493756929e+00 -4.418376004e+00 -4.026348991e+00 -3.511428075e+00 -3.529099221e+00 -3.024285612e+00 -3.748815762e+00 -3.822172345e+00 -3.451367877e+00 -3.538665880e+00 2.24 -3.654661488e+00 -4.411951618e+00 -4.114013367e+00 -3.669293411e+00 -3.683925334e+00 -3.030953960e+00 -3.772052842e+00 -3.944460665e+00 -3.444691588e+00 -3.577390228e+00 2.26 -3.796851067e+00 -4.396166784e+00 -4.186445953e+00 -3.808149448e+00 -3.819447830e+00 -3.033301371e+00 -3.792651793e+00 -4.050602825e+00 -3.433435966e+00 -3.612128083e+00 2.28 -3.921640611e+00 -4.371871282e+00 -4.245194745e+00 -3.929500960e+00 -3.937361309e+00 -3.031458787e+00 -3.810545237e+00 -4.141706480e+00 -3.417897517e+00 -3.642635024e+00 2.30 -4.030261446e+00 -4.339894840e+00 -4.291673065e+00 -4.034741450e+00 -4.039221453e+00 -3.025507595e+00 -3.825526262e+00 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