# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Hybrid # implementation = 2013--Hale-L-M--Pd-Ag-H-Hybrid--LAMMPS--ipr1 # composition = Ag3Pd # 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 nan nan nan 0.92 nan nan nan 0.94 2.623121967e+03 nan nan 0.96 2.422077916e+03 nan nan 0.98 2.235368367e+03 nan nan 1.00 2.061150311e+03 nan nan 1.02 1.898679162e+03 nan nan 1.04 1.747479973e+03 2.480346525e+03 nan 1.06 1.606731176e+03 2.311854867e+03 2.535842087e+03 1.08 1.476741889e+03 2.155435734e+03 2.361348902e+03 1.10 1.357680406e+03 2.009728513e+03 2.199994148e+03 1.12 1.248403821e+03 1.872561132e+03 2.051385527e+03 1.14 1.147930012e+03 1.742776707e+03 1.914811779e+03 1.16 1.055158358e+03 1.619560213e+03 1.788601390e+03 1.18 9.692024875e+02 1.502059357e+03 1.671455578e+03 1.20 8.894795810e+02 1.389805495e+03 1.562468345e+03 1.22 8.151629404e+02 1.282945802e+03 1.460235735e+03 1.24 7.456040038e+02 1.182126658e+03 1.363944469e+03 1.26 6.800771232e+02 1.087071058e+03 1.273154597e+03 1.28 6.182720065e+02 9.979954412e+02 1.186841105e+03 1.30 5.599838260e+02 9.151244108e+02 1.104281476e+03 1.32 5.051615947e+02 8.384088071e+02 1.025162648e+03 1.34 4.538174322e+02 7.675141163e+02 9.492956293e+02 1.36 4.059134483e+02 7.019728973e+02 8.764817707e+02 1.38 3.614211660e+02 6.413715856e+02 8.068552374e+02 1.40 3.202159053e+02 5.852320377e+02 7.407404941e+02 1.42 2.820463204e+02 5.331166261e+02 6.784711442e+02 1.44 2.466964466e+02 4.847755619e+02 6.202478383e+02 1.46 2.139700525e+02 4.401117251e+02 5.659995754e+02 1.48 1.836558831e+02 3.987664967e+02 5.154105034e+02 1.50 1.555704862e+02 3.603539551e+02 4.681997055e+02 1.52 1.295438608e+02 3.246400847e+02 4.242451669e+02 1.54 1.054389470e+02 2.913626060e+02 3.835049179e+02 1.56 8.304226664e+01 2.602769030e+02 3.456776674e+02 1.58 6.219384553e+01 2.312024055e+02 3.104537994e+02 1.60 4.295774409e+01 2.040393641e+02 2.776033927e+02 1.62 3.250412037e+01 1.787351415e+02 2.468633324e+02 1.64 2.817702865e+01 1.552211940e+02 2.180384140e+02 1.66 2.573205888e+01 1.332652590e+02 1.910317661e+02 1.68 2.385266049e+01 1.126990539e+02 1.658407658e+02 1.70 2.216561393e+01 9.336629001e+01 1.423324633e+02 1.72 2.057869664e+01 7.512594655e+01 1.202154420e+02 1.74 1.907182587e+01 5.785949461e+01 9.938260946e+01 1.76 1.763693110e+01 4.160694330e+01 7.972579249e+01 1.78 1.627484258e+01 3.215893575e+01 6.113589446e+01 1.80 1.498126749e+01 2.781881966e+01 4.355371570e+01 1.82 1.375181116e+01 2.534968293e+01 3.302068343e+01 1.84 1.258290917e+01 2.354179502e+01 2.850859984e+01 1.86 1.147202118e+01 2.197343498e+01 2.603436623e+01 1.88 1.041665604e+01 2.051186114e+01 2.422744370e+01 1.90 9.412860738e+00 1.911740402e+01 2.264997366e+01 1.92 8.459515561e+00 1.778242151e+01 2.117782430e+01 1.94 7.554345937e+00 1.650397659e+01 1.978051756e+01 1.96 6.694374225e+00 1.528015576e+01 1.845135889e+01 1.98 5.872745201e+00 1.410864734e+01 1.718684092e+01 2.00 5.088565391e+00 1.298721991e+01 1.598063210e+01 2.02 4.351387222e+00 1.191407640e+01 1.481962180e+01 2.04 3.657833980e+00 1.088753104e+01 1.371134406e+01 2.06 3.006961580e+00 9.904533904e+00 1.265803853e+01 2.08 2.397984403e+00 8.961936029e+00 1.165532265e+01 2.10 1.830266818e+00 8.067081849e+00 1.070046705e+01 2.12 1.303183032e+00 7.214474730e+00 9.790988894e+00 2.14 8.160379899e-01 6.404853649e+00 8.924582060e+00 2.16 3.680642373e-01 5.642568023e+00 8.098917692e+00 2.18 -4.157575255e-02 4.924434369e+00 7.311055925e+00 2.20 -4.139095995e-01 4.248410352e+00 6.558570223e+00 2.22 -7.503450284e-01 3.612565953e+00 5.839971135e+00 2.24 -1.052744563e+00 3.015176586e+00 5.153545964e+00 2.26 -1.323465755e+00 2.454740966e+00 4.498078964e+00 2.28 -1.565292881e+00 1.929926468e+00 3.872691981e+00 2.30 -1.781697168e+00 1.439362104e+00 3.276847049e+00 2.32 -1.977404701e+00 9.813263375e-01 2.710290012e+00 2.34 -2.157202654e+00 5.554307633e-01 2.172853531e+00 2.36 -2.314656165e+00 1.604559395e-01 1.663980651e+00 2.38 -2.452699894e+00 -2.046547912e-01 1.181759658e+00 2.40 -2.572806547e+00 -5.409946938e-01 7.246548527e-01 2.42 -2.676340960e+00 -8.497245466e-01 3.001903180e-01 2.44 -2.764529820e+00 -1.132111403e+00 -9.325735747e-02 2.46 -2.838518166e+00 -1.389442888e+00 -4.560045987e-01 2.48 -2.899397815e+00 -1.622809381e+00 -7.886973866e-01 2.50 -2.948212609e+00 -1.833322597e+00 -1.092342616e+00 2.52 -2.985945193e+00 -2.022241846e+00 -1.368280467e+00 2.54 -3.013470723e+00 -2.190893777e+00 -1.617978098e+00 2.56 -3.031499229e+00 -2.340578057e+00 -1.842841834e+00 2.58 -3.040632150e+00 -2.472567422e+00 -2.044204910e+00 2.60 -3.041425499e+00 -2.588080701e+00 -2.223345538e+00 2.62 -3.034445486e+00 -2.688314122e+00 -2.381540350e+00 2.64 -3.020336891e+00 -2.774506855e+00 -2.520176661e+00 2.66 -2.999903474e+00 -2.848126887e+00 -2.640961921e+00 2.68 -2.973934062e+00 -2.910605605e+00 -2.745807516e+00 2.70 -2.941913579e+00 -2.960436539e+00 -2.834225452e+00 2.72 -2.904603945e+00 -2.999034401e+00 -2.907848673e+00 2.74 -2.862579903e+00 -3.027556388e+00 -2.967912074e+00 2.76 -2.816439904e+00 -3.047674411e+00 -3.015694434e+00 2.78 -2.766800177e+00 -3.062048886e+00 -3.052523832e+00 2.80 -2.714283794e+00 -3.072882571e+00 -3.079771834e+00 2.82 -2.659504547e+00 -3.074645956e+00 -3.098822680e+00 2.84 -2.603012091e+00 -3.069820480e+00 -3.110843653e+00 2.86 -2.545236718e+00 -3.059011687e+00 -3.116503719e+00 2.88 -2.486572321e+00 -3.042724331e+00 -3.116241395e+00 2.90 -2.427456788e+00 -3.021454647e+00 -3.110410003e+00 2.92 -2.368463932e+00 -2.995701978e+00 -3.099323301e+00 2.94 -2.310435431e+00 -2.965952857e+00 -3.083273215e+00 2.96 -2.254675395e+00 -2.932660658e+00 -3.062545909e+00 2.98 -2.200567216e+00 -2.896231611e+00 -3.037444941e+00 3.00 -2.146425160e+00 -2.857022788e+00 -3.008332676e+00 3.02 -2.093258749e+00 -2.815350223e+00 -2.975705627e+00 3.04 -2.041395718e+00 -2.771499494e+00 -2.940324200e+00 3.06 -1.991178860e+00 -2.725735452e+00 -2.903431608e+00 3.08 -1.942974541e+00 -2.678309359e+00 -2.867103644e+00 3.10 -1.896334933e+00 -2.629463141e+00 -2.830405105e+00 3.12 -1.850310646e+00 -2.579433776e+00 -2.789501142e+00 3.14 -1.805169595e+00 -2.528460857e+00 -2.746186987e+00 3.16 -1.760883851e+00 -2.476796991e+00 -2.700835373e+00 3.18 -1.717426363e+00 -2.424719018e+00 -2.653834689e+00 3.20 -1.674774965e+00 -2.372548034e+00 -2.605578117e+00 3.22 -1.632914961e+00 -2.320670652e+00 -2.556445683e+00 3.24 -1.591837422e+00 -2.269553160e+00 -2.506782189e+00 3.26 -1.551535292e+00 -2.219741959e+00 -2.456877002e+00 3.28 -1.512003214e+00 -2.171533376e+00 -2.406952323e+00 3.30 -1.473237338e+00 -2.123056266e+00 -2.357163806e+00 3.32 -1.435234697e+00 -2.074916969e+00 -2.307612448e+00 3.34 -1.397992478e+00 -2.027221279e+00 -2.258362668e+00 3.36 -1.361507019e+00 -1.980078889e+00 -2.209460417e+00 3.38 -1.325772915e+00 -1.933597375e+00 -2.160946892e+00 3.40 -1.290783052e+00 -1.887877971e+00 -2.112866318e+00 3.42 -1.256528776e+00 -1.843008967e+00 -2.065268454e+00 3.44 -1.223000047e+00 -1.799058214e+00 -2.018207579e+00 3.46 -1.190185564e+00 -1.756067060e+00 -1.971739734e+00 3.48 -1.158072869e+00 -1.714047880e+00 -1.925919299e+00 3.50 -1.126648452e+00 -1.672986228e+00 -1.880792671e+00 3.52 -1.095897841e+00 -1.632846907e+00 -1.836393640e+00 3.54 -1.065805691e+00 -1.593582062e+00 -1.792744301e+00 3.56 -1.036355873e+00 -1.555139129e+00 -1.749857028e+00 3.58 -1.007531564e+00 -1.517467071e+00 -1.707736927e+00 3.60 -9.793153307e-01 -1.480520338e+00 -1.666384678e+00 3.62 -9.516892324e-01 -1.444260709e+00 -1.625799701e+00 3.64 -9.246349103e-01 -1.408657606e+00 -1.585983497e+00 3.66 -8.981336893e-01 -1.373687519e+00 -1.546943110e+00 3.68 -8.721666732e-01 -1.339333022e+00 -1.508694691e+00 3.70 -8.467148488e-01 -1.305580983e+00 -1.471267343e+00 3.72 -8.217591949e-01 -1.272419345e+00 -1.434707632e+00 3.74 -7.972807787e-01 -1.239836177e+00 -1.399085575e+00 3.76 -7.732608617e-01 -1.207819808e+00 -1.364503278e+00 3.78 -7.496810156e-01 -1.176358955e+00 -1.331107685e+00 3.80 -7.265232140e-01 -1.145442821e+00 -1.298270497e+00 3.82 -7.037699597e-01 -1.115061181e+00 -1.265953152e+00 3.84 -6.814043748e-01 -1.085204440e+00 -1.234242870e+00 3.86 -6.594103340e-01 -1.055863688e+00 -1.203147994e+00 3.88 -6.377725575e-01 -1.027030734e+00 -1.172679899e+00 3.90 -6.164767470e-01 -9.986981394e-01 -1.142852041e+00 3.92 -5.955096818e-01 -9.708592303e-01 -1.113678248e+00 3.94 -5.748593567e-01 -9.435081117e-01 -1.085170361e+00 3.96 -5.545150771e-01 -9.166396669e-01 -1.057335605e+00 3.98 -5.344675848e-01 -8.902495423e-01 -1.030174225e+00 4.00 -5.147091616e-01 -8.643341204e-01 -1.003677965e+00 4.02 -4.952337120e-01 -8.388904858e-01 -9.778297664e-01 4.04 -4.760368700e-01 -8.139163552e-01 -9.526047599e-01 4.06 -4.571160402e-01 -7.894099915e-01 -9.279722509e-01 4.08 -4.384704514e-01 -7.653701050e-01 -9.038981783e-01 4.10 -4.201011786e-01 -7.417956942e-01 -8.803475471e-01 4.12 -4.020111177e-01 -7.186858944e-01 -8.572864303e-01 4.14 -3.842049380e-01 -6.960397585e-01 -8.346833381e-01 4.16 -3.666890000e-01 -6.738560379e-01 -8.125099902e-01 4.18 -3.494712321e-01 -6.521329126e-01 -7.907415705e-01 4.20 -3.325609546e-01 -6.308677301e-01 -7.693566396e-01 4.22 -3.159686876e-01 -6.100567055e-01 -7.483368570e-01 4.24 -2.997059301e-01 -5.896946748e-01 -7.276666037e-01 4.26 -2.837849092e-01 -5.697748283e-01 -7.073325529e-01 4.28 -2.682183266e-01 -5.502885562e-01 -6.873226215e-01 4.30 -2.530191260e-01 -5.312253372e-01 -6.676252758e-01 4.32 -2.382002874e-01 -5.125727780e-01 -6.482295191e-01 4.34 -2.237746697e-01 -4.943168187e-01 -6.291249761e-01 4.36 -2.097549165e-01 -4.764421216e-01 -6.103019586e-01 4.38 -1.961534209e-01 -4.589327415e-01 -5.917515308e-01 4.40 -1.829823458e-01 -4.417730840e-01 -5.734655958e-01 4.42 -1.702536663e-01 -4.249491920e-01 -5.554369519e-01 4.44 -1.579791696e-01 -4.084504369e-01 -5.376593683e-01 4.46 -1.461703526e-01 -3.922716241e-01 -5.201276632e-01 4.48 -1.348381549e-01 -3.764155141e-01 -5.028377438e-01 4.50 -1.239925137e-01 -3.608957963e-01 -4.857866826e-01 4.52 -1.136418048e-01 -3.457404711e-01 -4.689727625e-01 4.54 -1.037923516e-01 -3.309955582e-01 -4.523955025e-01 4.56 -9.444835328e-02 -3.167290301e-01 -4.360556919e-01 4.58 -8.561247048e-02 -3.030348204e-01 -4.199553969e-01 4.60 -7.728765725e-02 -2.900366829e-01 -4.040979458e-01 4.62 -6.948060463e-02 -2.778914708e-01 -3.884878899e-01 4.64 -6.220673768e-02 -2.664352515e-01 -3.731309487e-01 4.66 -5.549666116e-02 -2.548086413e-01 -3.580339255e-01 4.68 -4.940368447e-02 -2.433974311e-01 -3.432045822e-01 4.70 -4.401194854e-02 -2.322133733e-01 -3.286514839e-01 4.72 -3.944277421e-02 -2.212693402e-01 -3.143838224e-01 4.74 -3.586578219e-02 -2.105798784e-01 -3.004111966e-01 4.76 -3.350383347e-02 -2.001607240e-01 -2.867433560e-01 4.78 -3.263757453e-02 -1.900281023e-01 -2.733899157e-01 4.80 -3.178954908e-02 -1.801978300e-01 -2.603600468e-01 4.82 -3.062099881e-02 -1.706842816e-01 -2.476621457e-01 4.84 -2.950312869e-02 -1.614993202e-01 -2.353034867e-01 4.86 -2.842691397e-02 -1.526513164e-01 -2.232898761e-01 4.88 -2.738572359e-02 -1.441443926e-01 -2.116253138e-01 4.90 -2.637511638e-02 -1.359779913e-01 -2.003116820e-01 4.92 -2.539231873e-02 -1.281468187e-01 -1.893484831e-01 4.94 -2.443518585e-02 -1.206411511e-01 -1.787326474e-01 4.96 -2.350171514e-02 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