# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag3Pt # 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 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 6.665209436e+02 nan nan 0.92 6.067335190e+02 nan nan 0.94 5.531733576e+02 nan nan 0.96 5.051086785e+02 nan nan 0.98 4.618990649e+02 6.680201020e+02 nan 1.00 4.229847694e+02 6.126192788e+02 6.904496239e+02 1.02 3.878783912e+02 5.625796879e+02 6.345787139e+02 1.04 3.561488618e+02 5.173202492e+02 5.839872767e+02 1.06 3.274193884e+02 4.763252103e+02 5.381137356e+02 1.08 3.013567360e+02 4.391349983e+02 4.964551548e+02 1.10 2.776732208e+02 4.053484210e+02 4.585728392e+02 1.12 2.561109457e+02 3.746048783e+02 4.240727755e+02 1.14 2.364452223e+02 3.465846425e+02 3.926074929e+02 1.16 2.184760573e+02 3.210070497e+02 3.638674960e+02 1.18 2.020292088e+02 2.976207462e+02 3.375756168e+02 1.20 1.869501934e+02 2.762023075e+02 3.134880767e+02 1.22 1.731003649e+02 2.565529612e+02 2.913858347e+02 1.24 1.603602028e+02 2.384985392e+02 2.710731645e+02 1.26 1.486225971e+02 2.218817084e+02 2.523782225e+02 1.28 1.377926707e+02 2.065629294e+02 2.351462382e+02 1.30 1.277856807e+02 1.924170426e+02 2.192377054e+02 1.32 1.185277852e+02 1.793359252e+02 2.045303484e+02 1.34 1.099519134e+02 1.672218217e+02 1.909144475e+02 1.36 1.019982812e+02 1.559865117e+02 1.782910599e+02 1.38 9.461332758e+01 1.455524985e+02 1.665715191e+02 1.40 8.775039634e+01 1.358495463e+02 1.556771476e+02 1.42 8.136642367e+01 1.268151937e+02 1.455377267e+02 1.44 7.542324170e+01 1.183944218e+02 1.360894885e+02 1.46 6.988643561e+01 1.105369433e+02 1.272751807e+02 1.48 6.472431537e+01 1.031975637e+02 1.190429958e+02 1.50 5.990945580e+01 9.633611045e+01 1.113468807e+02 1.52 5.541592876e+01 8.991619327e+01 1.041460606e+02 1.54 5.122056728e+01 8.390400855e+01 9.740282738e+01 1.56 4.730238912e+01 7.826992362e+01 9.108221567e+01 1.58 4.364219177e+01 7.298718331e+01 8.515436646e+01 1.60 4.022147975e+01 6.803189072e+01 7.959118465e+01 1.62 3.702477333e+01 6.338126432e+01 7.436628835e+01 1.64 3.403715297e+01 5.901475689e+01 6.945748451e+01 1.66 3.124467973e+01 5.491400817e+01 6.484357224e+01 1.68 2.863492550e+01 5.106194254e+01 6.050502836e+01 1.70 2.619607873e+01 4.744270514e+01 5.642397749e+01 1.72 2.391720568e+01 4.404148648e+01 5.258420279e+01 1.74 2.178814991e+01 4.084504313e+01 4.897062688e+01 1.76 1.975359026e+01 3.784087280e+01 4.556922038e+01 1.78 1.789728750e+01 3.501693052e+01 4.236643101e+01 1.80 1.616418228e+01 3.236272549e+01 3.935102827e+01 1.82 1.454633541e+01 2.986843816e+01 3.651217701e+01 1.84 1.303725155e+01 2.752468121e+01 3.383954552e+01 1.86 1.163036061e+01 2.532249914e+01 3.132330028e+01 1.88 1.031964522e+01 2.325373676e+01 2.895450284e+01 1.90 9.099545810e+00 2.129485963e+01 2.672494903e+01 1.92 7.964789653e+00 1.944031976e+01 2.462673675e+01 1.94 6.910443920e+00 1.772811101e+01 2.265246353e+01 1.96 5.931879149e+00 1.612124651e+01 2.074895155e+01 1.98 5.024199261e+00 1.461348071e+01 1.900280726e+01 2.00 4.183644679e+00 1.319968748e+01 1.736080432e+01 2.02 3.406631192e+00 1.187474622e+01 1.581647968e+01 2.04 2.689322385e+00 1.063381738e+01 1.436519896e+01 2.06 2.028351486e+00 9.472198913e+00 1.300208230e+01 2.08 1.420442419e+00 8.385541654e+00 1.172242069e+01 2.10 8.625088573e-01 7.370097358e+00 1.052173296e+01 2.12 3.515778551e-01 6.421774472e+00 9.395509342e+00 2.14 -1.151779761e-01 5.537183227e+00 8.340300316e+00 2.16 -5.404152978e-01 4.712910234e+00 7.352396002e+00 2.18 -9.265102761e-01 3.945762058e+00 6.428278251e+00 2.20 -1.276080843e+00 3.232795152e+00 5.564629669e+00 2.22 -1.591192001e+00 2.570916522e+00 4.758311306e+00 2.24 -1.874303076e+00 1.957494103e+00 4.006343758e+00 2.26 -2.127572665e+00 1.389958127e+00 3.305896856e+00 2.28 -2.353000207e+00 8.657945123e-01 2.654204749e+00 2.30 -2.552488967e+00 3.825976214e-01 2.048764295e+00 2.32 -2.727971345e+00 -6.194339160e-02 1.487167288e+00 2.34 -2.881253598e+00 -4.699776904e-01 9.670858022e-01 2.36 -3.013734790e+00 -8.434818816e-01 4.862983582e-01 2.38 -3.127035462e+00 -1.184412534e+00 4.251802337e-02 2.40 -3.222587491e+00 -1.494724151e+00 -3.662617072e-01 2.42 -3.301472069e+00 -1.776144802e+00 -7.417601082e-01 2.44 -3.365401482e+00 -2.030554435e+00 -1.085683826e+00 2.46 -3.415506917e+00 -2.259630639e+00 -1.399962365e+00 2.48 -3.452879151e+00 -2.464954640e+00 -1.686099930e+00 2.50 -3.478710188e+00 -2.648036940e+00 -1.946098062e+00 2.52 -3.494018985e+00 -2.810319828e+00 -2.181363071e+00 2.54 -3.499762447e+00 -2.953179635e+00 -2.393358383e+00 2.56 -3.496841887e+00 -3.077928779e+00 -2.583505153e+00 2.58 -3.486097436e+00 -3.185817638e+00 -2.753162281e+00 2.60 -3.468310668e+00 -3.278036271e+00 -2.903628571e+00 2.62 -3.444207283e+00 -3.355648091e+00 -3.036144689e+00 2.64 -3.414459974e+00 -3.419604720e+00 -3.151895133e+00 2.66 -3.379784446e+00 -3.471168104e+00 -3.252114609e+00 2.68 -3.340747364e+00 -3.511299232e+00 -3.337880126e+00 2.70 -3.297784577e+00 -3.540780953e+00 -3.409988371e+00 2.72 -3.251403864e+00 -3.560505543e+00 -3.469410383e+00 2.74 -3.201458995e+00 -3.571342030e+00 -3.517196612e+00 2.76 -3.148615835e+00 -3.574052188e+00 -3.554225406e+00 2.78 -3.093647512e+00 -3.569580004e+00 -3.581265850e+00 2.80 -3.036930191e+00 -3.558556997e+00 -3.599237845e+00 2.82 -2.978710633e+00 -3.541395538e+00 -3.608809889e+00 2.84 -2.919272292e+00 -3.518683563e+00 -3.610681454e+00 2.86 -2.858875242e+00 -3.490969609e+00 -3.605510734e+00 2.88 -2.797678267e+00 -3.458764265e+00 -3.593916096e+00 2.90 -2.735716466e+00 -3.422573171e+00 -3.576477551e+00 2.92 -2.673456056e+00 -3.383144832e+00 -3.553738263e+00 2.94 -2.611069652e+00 -3.340518413e+00 -3.526206090e+00 2.96 -2.548900245e+00 -3.295095471e+00 -3.494355142e+00 2.98 -2.487047817e+00 -3.246699679e+00 -3.458627346e+00 3.00 -2.425536306e+00 -3.195838343e+00 -3.419434007e+00 3.02 -2.364394964e+00 -3.143182553e+00 -3.377157372e+00 3.04 -2.303724545e+00 -3.089002718e+00 -3.332148245e+00 3.06 -2.243623696e+00 -3.033548510e+00 -3.284556784e+00 3.08 -2.184475547e+00 -2.977048360e+00 -3.234570882e+00 3.10 -2.126147018e+00 -2.919709426e+00 -3.182809188e+00 3.12 -2.068561297e+00 -2.861734196e+00 -3.129522021e+00 3.14 -2.011773830e+00 -2.803050112e+00 -3.074948278e+00 3.16 -1.955832933e+00 -2.743995855e+00 -3.019306665e+00 3.18 -1.900780281e+00 -2.684792731e+00 -2.962797632e+00 3.20 -1.846652810e+00 -2.625568165e+00 -2.905611774e+00 3.22 -1.793486771e+00 -2.566439375e+00 -2.848128144e+00 3.24 -1.741289363e+00 -2.507505911e+00 -2.790160929e+00 3.26 -1.690074566e+00 -2.449193804e+00 -2.731969720e+00 3.28 -1.639815611e+00 -2.391356960e+00 -2.673678147e+00 3.30 -1.590472708e+00 -2.333958348e+00 -2.615403365e+00 3.32 -1.542087585e+00 -2.277067856e+00 -2.557252304e+00 3.34 -1.494752924e+00 -2.220748436e+00 -2.499321755e+00 3.36 -1.448497663e+00 -2.165056288e+00 -2.441699287e+00 3.38 -1.403311480e+00 -2.110041030e+00 -2.384463936e+00 3.40 -1.359183224e+00 -2.055759160e+00 -2.327686905e+00 3.42 -1.316097521e+00 -2.002412065e+00 -2.271432101e+00 3.44 -1.274063036e+00 -1.949846720e+00 -2.215756516e+00 3.46 -1.233082341e+00 -1.898091981e+00 -2.160711036e+00 3.48 -1.193121842e+00 -1.847174994e+00 -2.106341114e+00 3.50 -1.154156024e+00 -1.797122742e+00 -2.052686241e+00 3.52 -1.116184361e+00 -1.747942645e+00 -1.999781527e+00 3.54 -1.079180807e+00 -1.699639618e+00 -1.947657675e+00 3.56 -1.043113088e+00 -1.652212738e+00 -1.896339056e+00 3.58 -1.007958571e+00 -1.605621648e+00 -1.845852485e+00 3.60 -9.737162736e-01 -1.559851454e+00 -1.796219215e+00 3.62 -9.404456369e-01 -1.514963007e+00 -1.747443576e+00 3.64 -9.078888538e-01 -1.471012323e+00 -1.699530424e+00 3.66 -8.759961805e-01 -1.428016333e+00 -1.652471418e+00 3.68 -8.450466087e-01 -1.385960843e+00 -1.606224844e+00 3.70 -8.152653745e-01 -1.344830785e+00 -1.560786525e+00 3.72 -7.868100225e-01 -1.304627721e+00 -1.516221770e+00 3.74 -7.596627084e-01 -1.265351453e+00 -1.472575678e+00 3.76 -7.338219325e-01 -1.226984469e+00 -1.430025977e+00 3.78 -7.095493671e-01 -1.189510977e+00 -1.388474911e+00 3.80 -6.863557906e-01 -1.152918525e+00 -1.347816208e+00 3.82 -6.636900812e-01 -1.117185400e+00 -1.308051825e+00 3.84 -6.411697976e-01 -1.082289405e+00 -1.269188126e+00 3.86 -6.185439332e-01 -1.048222549e+00 -1.231202557e+00 3.88 -5.956626460e-01 -1.015005485e+00 -1.194080917e+00 3.90 -5.724512056e-01 -9.826118293e-01 -1.157811199e+00 3.92 -5.488631881e-01 -9.509242699e-01 -1.122382692e+00 3.94 -5.249485985e-01 -9.199013025e-01 -1.087869212e+00 3.96 -5.007975012e-01 -8.894827948e-01 -1.054178830e+00 3.98 -4.764997255e-01 -8.598867804e-01 -1.021304720e+00 4.00 -4.520370154e-01 -8.312874041e-01 -9.892289221e-01 4.02 -4.276418314e-01 -8.038083149e-01 -9.579449056e-01 4.04 -4.035854543e-01 -7.775878040e-01 -9.272258461e-01 4.06 -3.800734853e-01 -7.527355479e-01 -8.970279844e-01 4.08 -3.572582117e-01 -7.290932855e-01 -8.675896413e-01 4.10 -3.352488408e-01 -7.065820595e-01 -8.390887843e-01 4.12 -3.141199604e-01 -6.847381449e-01 -8.116537726e-01 4.14 -2.939185131e-01 -6.631737135e-01 -7.854064734e-01 4.16 -2.746695330e-01 -6.416199725e-01 -7.603938162e-01 4.18 -2.563808512e-01 -6.199018601e-01 -7.367341615e-01 4.20 -2.390469446e-01 -5.979172465e-01 -7.143877152e-01 4.22 -2.226520722e-01 -5.756199143e-01 -6.928089473e-01 4.24 -2.071728206e-01 -5.530057052e-01 -6.715878208e-01 4.26 -1.925801636e-01 -5.300936022e-01 -6.504349687e-01 4.28 -1.788411176e-01 -5.068735713e-01 -6.291567564e-01 4.30 -1.659200669e-01 -4.834711467e-01 -6.076346663e-01 4.32 -1.537798126e-01 -4.600150638e-01 -5.858083290e-01 4.34 -1.423824018e-01 -4.366061912e-01 -5.636616243e-01 4.36 -1.316897722e-01 -4.134708520e-01 -5.412099930e-01 4.38 -1.216642491e-01 -3.907929651e-01 -5.184684125e-01 4.40 -1.122689210e-01 -3.687119060e-01 -4.955112344e-01 4.42 -1.034679175e-01 -3.473305550e-01 -4.723432314e-01 4.44 -9.522660907e-02 -3.267220306e-01 -4.491018537e-01 4.46 -8.751174422e-02 -3.069353103e-01 -4.260416704e-01 4.48 -8.029153675e-02 -2.879999151e-01 -4.033612866e-01 4.50 -7.353571427e-02 -2.699297996e-01 -3.812130514e-01 4.52 -6.721840318e-02 -2.527265777e-01 -3.597112384e-01 4.54 -6.152577518e-02 -2.363821895e-01 -3.389389142e-01 4.56 -5.649140031e-02 -2.208809893e-01 -3.189536984e-01 4.58 -5.177450613e-02 -2.061925351e-01 -2.997925763e-01 4.60 -4.735552968e-02 -1.925539550e-01 -2.814759145e-01 4.62 -4.321603371e-02 -1.799079683e-01 -2.640108056e-01 4.64 -3.933865831e-02 -1.679589893e-01 -2.473938437e-01 4.66 -3.570707119e-02 -1.566860087e-01 -2.316134232e-01 4.68 -3.230591722e-02 -1.460584040e-01 -2.166516323e-01 4.70 -2.912076813e-02 -1.360454218e-01 -2.024858099e-01 4.72 -2.614122186e-02 -1.266165672e-01 -1.890898190e-01 4.74 -2.337404591e-02 -1.177418773e-01 -1.764350848e-01 4.76 -2.158239905e-02 -1.093921280e-01 -1.644914351e-01 4.78 -1.994138325e-02 -1.015389868e-01 -1.532277737e-01 4.80 -1.840574627e-02 -9.414631000e-02 -1.426126205e-01 4.82 -1.696555243e-02 -8.745721631e-02 -1.326145347e-01 4.84 -1.561496259e-02 -8.126921543e-02 -1.232024488e-01 4.86 -1.434849020e-02 -7.544903109e-02 -1.143459233e-01 4.88 -1.316098022e-02 -6.997572931e-02 -1.060153376e-01 4.90 -1.204758928e-02 -6.482940435e-02 -9.818203140e-02 4.92 -1.100376705e-02 -5.999116007e-02 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