# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1985--Foiles-S-M--Ni-Cu # implementation = 1985--Foiles-S-M--Ni-Cu--LAMMPS--ipr1 # composition = Cu # 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 5.304577337e+02 nan 0.68 nan nan nan nan nan nan nan nan 4.770097978e+02 nan 0.70 nan nan nan nan nan 3.720987792e+02 nan nan 4.308954176e+02 nan 0.72 nan nan nan nan nan 3.329312653e+02 nan nan 3.907928219e+02 nan 0.74 nan nan nan nan nan 2.990933626e+02 nan nan 3.556412543e+02 nan 0.76 nan nan nan nan nan 2.697469503e+02 nan nan 3.246062438e+02 nan 0.78 nan nan nan nan nan 2.442046338e+02 nan nan 2.970225046e+02 nan 0.80 nan 3.735564655e+02 nan 5.287690672e+02 5.287476380e+02 2.218747357e+02 nan nan 2.723456980e+02 3.740265799e+02 0.82 nan 3.472277077e+02 nan 4.890740541e+02 4.890545828e+02 2.022709199e+02 3.516258105e+02 nan 2.501392614e+02 3.451206946e+02 0.84 nan 3.232531075e+02 nan 4.541636514e+02 4.541466880e+02 1.849773236e+02 3.260450198e+02 nan 2.300520273e+02 3.191578442e+02 0.86 nan 3.012353217e+02 nan 4.231707015e+02 4.231578393e+02 1.696316144e+02 3.027754269e+02 nan 2.117964430e+02 2.956728037e+02 0.88 nan 2.808615323e+02 nan 3.953790017e+02 3.953713133e+02 1.559508602e+02 2.814691274e+02 nan 1.951344257e+02 2.742967413e+02 0.90 nan 2.618911086e+02 nan 3.702179336e+02 3.702128406e+02 1.436946185e+02 2.618381294e+02 3.496817526e+02 1.798772231e+02 2.547427021e+02 0.92 3.472365932e+02 2.441526856e+02 3.202577446e+02 3.472347351e+02 3.472299515e+02 1.326542089e+02 2.436715072e+02 3.279094685e+02 1.658672701e+02 2.367588102e+02 0.94 3.260776300e+02 2.275025173e+02 3.003918346e+02 3.260716989e+02 3.260693025e+02 1.226601005e+02 2.267903741e+02 3.077538563e+02 1.529686494e+02 2.201410253e+02 0.96 3.064434983e+02 2.118366096e+02 2.818325543e+02 3.064391234e+02 3.064383405e+02 1.135648105e+02 2.110539842e+02 2.889696066e+02 1.410707980e+02 2.047446678e+02 0.98 2.881100622e+02 1.970790028e+02 2.644236503e+02 2.881081660e+02 2.881097028e+02 1.052507775e+02 1.963482987e+02 2.713679316e+02 1.300769959e+02 1.904280599e+02 1.00 2.709037576e+02 1.831600667e+02 2.480246155e+02 2.709077769e+02 2.709120075e+02 9.762048629e+01 1.825828766e+02 2.548010812e+02 1.199052192e+02 1.770843755e+02 1.02 2.546891438e+02 1.700337040e+02 2.325317094e+02 2.547011916e+02 2.547080508e+02 9.058720942e+01 1.696754378e+02 2.391616085e+02 1.104845334e+02 1.646297629e+02 1.04 2.393624116e+02 1.576558956e+02 2.178704655e+02 2.393745005e+02 2.393821641e+02 8.408505740e+01 1.575651619e+02 2.243591601e+02 1.017526228e+02 1.529911062e+02 1.06 2.248372343e+02 1.459988128e+02 2.039686073e+02 2.248468570e+02 2.248557959e+02 7.805813997e+01 1.462045854e+02 2.103216453e+02 9.365571595e+01 1.421046061e+02 1.08 2.110506116e+02 1.350269137e+02 1.907879897e+02 2.110570751e+02 2.110650447e+02 7.245787642e+01 1.355474592e+02 1.969981049e+02 8.614652007e+01 1.319111806e+02 1.10 1.979486174e+02 1.247113178e+02 1.782895226e+02 1.979536567e+02 1.979604324e+02 6.724396976e+01 1.255522542e+02 1.843463412e+02 7.918090787e+01 1.223605130e+02 1.12 1.854945880e+02 1.150273744e+02 1.664377486e+02 1.854985055e+02 1.855050021e+02 6.238101446e+01 1.161809779e+02 1.723327551e+02 7.272004377e+01 1.134144581e+02 1.14 1.736552628e+02 1.059463266e+02 1.551974261e+02 1.736591989e+02 1.736661227e+02 5.783590318e+01 1.073979256e+02 1.609271902e+02 6.672673026e+01 1.050368881e+02 1.16 1.623985748e+02 9.744660891e+01 1.445501282e+02 1.624065177e+02 1.624141365e+02 5.358322099e+01 9.917505749e+01 1.501066864e+02 6.117102104e+01 9.719276423e+01 1.18 1.517090727e+02 8.950540644e+01 1.344785653e+02 1.517191196e+02 1.517269243e+02 4.960609585e+01 9.148370615e+01 1.398528610e+02 5.602448850e+01 8.985001803e+01 1.20 1.415675147e+02 8.209309279e+01 1.249610137e+02 1.415765118e+02 1.415844790e+02 4.588722443e+01 8.429388117e+01 1.301453574e+02 5.125817910e+01 8.298172304e+01 1.22 1.319512457e+02 7.518424021e+01 1.159729009e+02 1.319616952e+02 1.319705030e+02 4.240656553e+01 7.757970010e+01 1.209670248e+02 4.684623153e+01 7.655750667e+01 1.24 1.228486515e+02 6.875795746e+01 1.075029932e+02 1.228591007e+02 1.228686138e+02 3.915180783e+01 7.131371291e+01 1.123003776e+02 4.276468720e+01 7.055831044e+01 1.26 1.142418230e+02 6.278783056e+01 9.953156720e+01 1.142516180e+02 1.142606458e+02 3.610846115e+01 6.547291419e+01 1.041294397e+02 3.898851501e+01 6.496015528e+01 1.28 1.061147393e+02 5.724532099e+01 9.204021752e+01 1.061218495e+02 1.061295050e+02 3.326500767e+01 6.003593828e+01 9.643421705e+01 3.549905124e+01 5.974102837e+01 1.30 9.844428905e+01 5.211097110e+01 8.500768753e+01 9.845193010e+01 9.845886957e+01 3.060956547e+01 5.498122512e+01 8.919598303e+01 3.227702715e+01 5.487907608e+01 1.32 9.122141078e+01 4.736184887e+01 7.841128385e+01 9.122708652e+01 9.123279558e+01 2.812988424e+01 5.028681031e+01 8.239875263e+01 2.930376381e+01 5.035352802e+01 1.34 8.442863702e+01 4.297447011e+01 7.223553056e+01 8.443219778e+01 8.443683322e+01 2.581642993e+01 4.592970873e+01 7.602296983e+01 2.656101353e+01 4.613816141e+01 1.36 7.804845048e+01 3.892368345e+01 6.646134324e+01 7.804846964e+01 7.805216591e+01 2.365939209e+01 4.188998977e+01 7.005012830e+01 2.403334734e+01 4.222067797e+01 1.38 7.205922124e+01 3.518617741e+01 6.106728846e+01 7.205864254e+01 7.206185497e+01 2.164777565e+01 3.814845708e+01 6.446088564e+01 2.170639180e+01 3.858274737e+01 1.40 6.644142212e+01 3.174535855e+01 5.603720944e+01 6.644425623e+01 6.644758940e+01 1.973562562e+01 3.468574892e+01 5.923732431e+01 1.956426228e+01 3.520638628e+01 1.42 6.118534189e+01 2.858164436e+01 5.135193529e+01 6.119003104e+01 6.119342886e+01 1.799549905e+01 3.148501078e+01 5.436386445e+01 1.755378529e+01 3.207769721e+01 1.44 5.627136889e+01 2.567509076e+01 4.699020396e+01 5.627777305e+01 5.628169019e+01 1.637896286e+01 2.852786429e+01 4.982136474e+01 1.574384139e+01 2.918024422e+01 1.46 5.168297753e+01 2.300765705e+01 4.293091841e+01 5.169007771e+01 5.169428705e+01 1.487651985e+01 2.579662486e+01 4.559321763e+01 1.408163522e+01 2.649933260e+01 1.48 4.740478409e+01 2.056038898e+01 3.915984226e+01 4.741087060e+01 4.741491634e+01 1.348169151e+01 2.327950537e+01 4.166043225e+01 1.255570493e+01 2.402131438e+01 1.50 4.341870530e+01 1.831723520e+01 3.566308429e+01 4.342397474e+01 4.342801821e+01 1.218933101e+01 2.096177076e+01 3.800692981e+01 1.115752222e+01 2.173138246e+01 1.52 3.970792551e+01 1.622443687e+01 3.242344166e+01 3.971316804e+01 3.971743524e+01 1.099246849e+01 1.882942966e+01 3.461696381e+01 9.877340141e+00 1.961628644e+01 1.54 3.625890838e+01 1.434897515e+01 2.942395663e+01 3.626387987e+01 3.626831144e+01 9.884037061e+00 1.682877976e+01 3.147528373e+01 8.705055552e+00 1.762580484e+01 1.56 3.305626533e+01 1.263675608e+01 2.665063939e+01 3.305937048e+01 3.306391795e+01 8.859565796e+00 1.502720426e+01 2.856570732e+01 7.632406872e+00 1.582943041e+01 1.58 3.008277875e+01 1.107505216e+01 2.408872715e+01 3.008547422e+01 3.009009825e+01 7.913417102e+00 1.337337123e+01 2.587244394e+01 6.652196555e+00 1.417351853e+01 1.60 2.732616020e+01 9.651994966e+00 2.172417687e+01 2.732824113e+01 2.733225734e+01 7.040264806e+00 1.185698173e+01 2.338289185e+01 5.757314636e+00 1.264987626e+01 1.62 2.477365115e+01 8.354857296e+00 1.954366268e+01 2.477427142e+01 2.477682738e+01 6.235083319e+00 1.046558971e+01 2.108359833e+01 4.941421336e+00 1.124985114e+01 1.64 2.241217476e+01 7.174132597e+00 1.753456812e+01 2.241153481e+01 2.241282644e+01 5.493192390e+00 9.191906675e+00 1.896244106e+01 4.198181598e+00 9.964447048e+00 1.66 2.022690920e+01 6.100809066e+00 1.564239592e+01 2.022636775e+01 2.022696005e+01 4.801899763e+00 8.026819351e+00 1.696495145e+01 3.521590289e+00 8.783262637e+00 1.68 1.820653519e+01 5.126422139e+00 1.393729793e+01 1.820717375e+01 1.820752448e+01 4.152916615e+00 6.961509392e+00 1.516209738e+01 2.905743661e+00 7.698838950e+00 1.70 1.630183835e+01 4.243255352e+00 1.237041781e+01 1.630348592e+01 1.630362235e+01 3.546509997e+00 5.988612297e+00 1.350341478e+01 2.341715641e+00 6.705864903e+00 1.72 1.458307576e+01 3.443684562e+00 1.093174668e+01 1.458517602e+01 1.458512177e+01 2.981484672e+00 5.100549504e+00 1.197864377e+01 1.818236520e+00 5.797398728e+00 1.74 1.299969912e+01 2.720670652e+00 9.611901547e+00 1.300111788e+01 1.300089343e+01 2.456401297e+00 4.290858915e+00 1.057814462e+01 1.333751896e+00 4.966971977e+00 1.76 1.154184637e+01 2.066980243e+00 8.400618176e+00 1.154285098e+01 1.154265925e+01 1.968338717e+00 3.552817880e+00 9.292627884e+00 8.867941327e-01 4.207822528e+00 1.78 1.020066126e+01 1.476766724e+00 7.289960180e+00 1.020147477e+01 1.020148205e+01 1.517172951e+00 2.882003046e+00 8.113669424e+00 4.755116158e-01 3.514486999e+00 1.80 8.968156278e+00 9.453028426e-01 6.273827722e+00 8.968797143e+00 8.968972025e+00 1.102105403e+00 2.272958196e+00 7.033573018e+00 9.803613796e-02 2.882543977e+00 1.82 7.836464344e+00 4.665961711e-01 5.345025807e+00 7.836949053e+00 7.837264227e+00 7.199477074e-01 1.720514533e+00 6.043161079e+00 -2.473057728e-01 2.307138061e+00 1.84 6.798220336e+00 3.298808268e-02 4.496854744e+00 6.798133683e+00 6.798565487e+00 3.688822663e-01 1.219853374e+00 5.137376102e+00 -5.606816746e-01 1.783751869e+00 1.86 5.846537447e+00 -3.663096425e-01 3.723082302e+00 5.845685006e+00 5.846213003e+00 4.710947810e-02 7.620529090e-01 4.308170098e+00 -8.465795468e-01 1.302184746e+00 1.88 4.972433456e+00 -7.315168483e-01 3.017916460e+00 4.971865165e+00 4.972790505e+00 -2.471337377e-01 3.395555710e-01 3.550148059e+00 -1.106954495e+00 8.562299766e-01 1.90 4.169904634e+00 -1.064786444e+00 2.375978908e+00 4.170659944e+00 4.172286581e+00 -5.155602054e-01 -4.956671328e-02 2.858916681e+00 -1.342472238e+00 4.440900682e-01 1.92 3.436550115e+00 -1.368154776e+00 1.791877330e+00 3.438360540e+00 3.440494964e+00 -7.598226191e-01 -4.071963055e-01 2.229584898e+00 -1.554959442e+00 6.399489501e-02 1.94 2.767082984e+00 -1.643546971e+00 1.259189136e+00 2.769251321e+00 2.771262655e+00 -9.815067565e-01 -7.354323369e-01 1.657274559e+00 -1.746087996e+00 -2.857882815e-01 1.96 2.156587548e+00 -1.892782028e+00 7.761442461e-01 2.159063712e+00 2.160960552e+00 -1.182127278e+00 -1.035900958e+00 1.137462810e+00 -1.916931417e+00 -6.069466841e-01 1.98 1.600496753e+00 -2.116979796e+00 3.370097328e-01 1.602805603e+00 1.604596197e+00 -1.363909776e+00 -1.310590959e+00 6.659407611e-01 -2.068902621e+00 -9.011157087e-01 2.00 1.094570449e+00 -2.316779348e+00 -6.249046399e-02 1.096510864e+00 1.098203078e+00 -1.527132512e+00 -1.559475813e+00 2.380260789e-01 -2.203340891e+00 -1.168561064e+00 2.02 6.347284963e-01 -2.495570385e+00 -4.304043972e-01 6.363756095e-01 6.379769212e-01 -1.672884344e+00 -1.783918998e+00 -1.513888434e-01 -2.321512994e+00 -1.411740037e+00 2.04 2.169511984e-01 -2.654749987e+00 -7.690875477e-01 2.184684066e-01 2.199856148e-01 -1.802889096e+00 -1.986816176e+00 -5.104855638e-01 -2.424880543e+00 -1.634093995e+00 2.06 -1.641439568e-01 -2.795638348e+00 -1.080272297e+00 -1.627194387e-01 -1.612949206e-01 -1.918293902e+00 -2.169525233e+00 -8.411771803e-01 -2.513606365e+00 -1.835840920e+00 2.08 -5.161188394e-01 -2.919483367e+00 -1.365599409e+00 -5.148004480e-01 -5.134820566e-01 -2.020176557e+00 -2.333339995e+00 -1.145127105e+00 -2.589935153e+00 -2.017835648e+00 2.10 -8.407471022e-01 -3.027463669e+00 -1.626622638e+00 -8.400861959e-01 -8.394252897e-01 -2.109548301e+00 -2.479491107e+00 -1.423959916e+00 -2.654366708e+00 -2.181350246e+00 2.12 -1.139602536e+00 -3.120946351e+00 -1.864813097e+00 -1.139507414e+00 -1.139412291e+00 -2.187356563e+00 -2.609147263e+00 -1.679802829e+00 -2.707910127e+00 -2.327593758e+00 2.14 -1.414178670e+00 -3.200978467e+00 -2.081588618e+00 -1.414571431e+00 -1.414964193e+00 -2.254517841e+00 -2.723416770e+00 -1.913296643e+00 -2.751890301e+00 -2.457713490e+00 2.16 -1.665892608e+00 -3.268473223e+00 -2.277827811e+00 -1.666707219e+00 -1.667521831e+00 -2.312306787e+00 -2.823568997e+00 -2.125799950e+00 -2.786556948e+00 -2.572796600e+00 2.18 -1.896088677e+00 -3.324742431e+00 -2.454066058e+00 -1.897269290e+00 -1.898449903e+00 -2.361119059e+00 -2.910840691e+00 -2.317629411e+00 -2.812680672e+00 -2.673871932e+00 2.20 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