# 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 = AgAu3 # 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 9.426726609e+02 nan nan 0.92 8.579805583e+02 nan nan 0.94 7.817613647e+02 nan nan 0.96 7.130828463e+02 nan nan 0.98 6.511257683e+02 9.469859163e+02 nan 1.00 5.951661478e+02 8.684453754e+02 9.800827469e+02 1.02 5.445645360e+02 7.971747361e+02 9.008379987e+02 1.04 4.987554373e+02 7.324338521e+02 8.287378299e+02 1.06 4.572375544e+02 6.735641852e+02 7.630700167e+02 1.08 4.195651100e+02 6.199787636e+02 7.032001430e+02 1.10 3.853426112e+02 5.711554052e+02 6.485634518e+02 1.12 3.542170416e+02 5.266259535e+02 5.986551132e+02 1.14 3.258754444e+02 4.859721900e+02 5.530233049e+02 1.16 3.000381917e+02 4.488197359e+02 5.112635238e+02 1.18 2.764557248e+02 4.148322542e+02 4.730116691e+02 1.20 2.549056713e+02 3.837084632e+02 4.379413230e+02 1.22 2.351888897e+02 3.551781895e+02 4.057581264e+02 1.24 2.171277451e+02 3.289983595e+02 3.761970944e+02 1.26 2.005633270e+02 3.049500286e+02 3.490196285e+02 1.28 1.853530557e+02 2.828364099e+02 3.240100753e+02 1.30 1.713701495e+02 2.624809098e+02 3.009736229e+02 1.32 1.585010502e+02 2.437243104e+02 2.797351378e+02 1.34 1.466435474e+02 2.264231545e+02 2.601358599e+02 1.36 1.357056344e+02 2.104476488e+02 2.420319363e+02 1.38 1.256056075e+02 1.956816033e+02 2.252937462e+02 1.40 1.162695771e+02 1.820199988e+02 2.098039451e+02 1.42 1.076311647e+02 1.693678673e+02 1.954561410e+02 1.44 9.963003706e+01 1.576394255e+02 1.821537914e+02 1.46 9.221277258e+01 1.467569459e+02 1.698093436e+02 1.48 8.533080945e+01 1.366500392e+02 1.583439382e+02 1.50 7.894025377e+01 1.272553542e+02 1.476857074e+02 1.52 7.300143158e+01 1.185153632e+02 1.377693954e+02 1.54 6.747795368e+01 1.103776631e+02 1.285356843e+02 1.56 6.233744452e+01 1.027948705e+02 1.199299230e+02 1.58 5.755036493e+01 9.572385366e+01 1.119037772e+02 1.60 5.308977836e+01 8.912536168e+01 1.044126083e+02 1.62 4.893110028e+01 8.296334086e+01 9.741561198e+01 1.64 4.505195374e+01 7.720503290e+01 9.087571893e+01 1.66 4.143175379e+01 7.182090838e+01 8.475905741e+01 1.68 3.805150114e+01 6.678387122e+01 7.903457811e+01 1.70 3.489431407e+01 6.206900627e+01 7.367384747e+01 1.72 3.194453280e+01 5.765341714e+01 6.865106167e+01 1.74 2.917155126e+01 5.351617898e+01 6.394241913e+01 1.76 2.659810064e+01 4.963803585e+01 5.952604279e+01 1.78 2.419144382e+01 4.600126951e+01 5.538176343e+01 1.80 2.194521151e+01 4.258955641e+01 5.149115815e+01 1.82 1.984980897e+01 3.938783944e+01 4.783720624e+01 1.84 1.789608643e+01 3.638221285e+01 4.440420580e+01 1.86 1.607574592e+01 3.355967613e+01 4.117749373e+01 1.88 1.438094529e+01 3.090831150e+01 3.814364262e+01 1.90 1.280431456e+01 2.840508207e+01 3.529040096e+01 1.92 1.133893898e+01 2.606553680e+01 3.260627117e+01 1.94 9.978310696e+00 2.386991428e+01 3.008058461e+01 1.96 8.716297656e+00 2.181017781e+01 2.769157005e+01 1.98 7.547025518e+00 1.987867863e+01 2.545641169e+01 2.00 6.465079583e+00 1.806837453e+01 2.335545257e+01 2.02 5.465302902e+00 1.637261223e+01 2.138139271e+01 2.04 4.542756772e+00 1.478511647e+01 1.952736343e+01 2.06 3.692801262e+00 1.329996931e+01 1.778689694e+01 2.08 2.910730843e+00 1.191158377e+01 1.615389656e+01 2.10 2.192735372e+00 1.061467974e+01 1.462256135e+01 2.12 1.534879654e+00 9.404262189e+00 1.318711105e+01 2.14 9.334117551e-01 8.275601368e+00 1.184276599e+01 2.16 3.847682895e-01 7.224081992e+00 1.058467207e+01 2.18 -1.143639520e-01 6.245448377e+00 9.408230684e+00 2.20 -5.672535928e-01 5.335783540e+00 8.309081692e+00 2.22 -9.769831943e-01 4.491053432e+00 7.283087933e+00 2.24 -1.346407913e+00 3.707730524e+00 6.326321045e+00 2.26 -1.677983717e+00 2.982431743e+00 5.435048368e+00 2.28 -1.974603906e+00 2.311868571e+00 4.605672818e+00 2.30 -2.238746526e+00 1.692910788e+00 3.834835972e+00 2.32 -2.472756316e+00 1.122578011e+00 3.119345971e+00 2.34 -2.678849133e+00 5.980319588e-01 2.456146761e+00 2.36 -2.859117083e+00 1.165693072e-01 1.842327579e+00 2.38 -3.015643240e+00 -3.243016885e-01 1.275115254e+00 2.40 -3.150233630e+00 -7.271167142e-01 7.518671145e-01 2.42 -3.264572202e+00 -1.094302466e+00 2.700645007e-01 2.44 -3.360562858e+00 -1.427895043e+00 -1.726364280e-01 2.46 -3.439474117e+00 -1.729894770e+00 -5.785552150e-01 2.48 -3.502694169e+00 -2.002495328e+00 -9.499005623e-01 2.50 -3.551587691e+00 -2.247615585e+00 -1.289142582e+00 2.52 -3.587327309e+00 -2.467076529e+00 -1.597614832e+00 2.54 -3.611188276e+00 -2.662606073e+00 -1.877416234e+00 2.56 -3.624261436e+00 -2.835842437e+00 -2.130357660e+00 2.58 -3.627560752e+00 -2.988337413e+00 -2.358149027e+00 2.60 -3.622027535e+00 -3.121559509e+00 -2.562415756e+00 2.62 -3.608534496e+00 -3.236897030e+00 -2.744701868e+00 2.64 -3.587889714e+00 -3.335661078e+00 -2.906472935e+00 2.66 -3.560840467e+00 -3.419088504e+00 -3.049118921e+00 2.68 -3.528076964e+00 -3.488334846e+00 -3.173956930e+00 2.70 -3.490235914e+00 -3.544438491e+00 -3.282233882e+00 2.72 -3.447903970e+00 -3.588361597e+00 -3.375129125e+00 2.74 -3.401621005e+00 -3.621087036e+00 -3.453756917e+00 2.76 -3.351883248e+00 -3.643653810e+00 -3.519147971e+00 2.78 -3.299209272e+00 -3.656974953e+00 -3.572382812e+00 2.80 -3.244135157e+00 -3.661963674e+00 -3.614322330e+00 2.82 -3.186847823e+00 -3.659182763e+00 -3.645803185e+00 2.84 -3.127705716e+00 -3.649328793e+00 -3.667700424e+00 2.86 -3.066627299e+00 -3.633051608e+00 -3.680790741e+00 2.88 -3.003694575e+00 -3.610956834e+00 -3.685802800e+00 2.90 -2.939879422e+00 -3.583673561e+00 -3.683419517e+00 2.92 -2.875275669e+00 -3.552388362e+00 -3.674280325e+00 2.94 -2.810195738e+00 -3.516825585e+00 -3.658983358e+00 2.96 -2.744842985e+00 -3.477438441e+00 -3.638087595e+00 2.98 -2.679847213e+00 -3.434647448e+00 -3.612114934e+00 3.00 -2.615110004e+00 -3.388842361e+00 -3.581552196e+00 3.02 -2.550543824e+00 -3.340384044e+00 -3.546853065e+00 3.04 -2.486279194e+00 -3.289606274e+00 -3.508439958e+00 3.06 -2.422433028e+00 -3.236816849e+00 -3.466705832e+00 3.08 -2.359125186e+00 -3.182306188e+00 -3.422015867e+00 3.10 -2.296629028e+00 -3.126252335e+00 -3.374709163e+00 3.12 -2.234817438e+00 -3.068367278e+00 -3.325100256e+00 3.14 -2.173764348e+00 -3.009284981e+00 -3.273480670e+00 3.16 -2.113534266e+00 -2.949447674e+00 -3.220117995e+00 3.18 -2.054183430e+00 -2.888968150e+00 -3.165267917e+00 3.20 -1.995760498e+00 -2.828094136e+00 -3.108816043e+00 3.22 -1.938345347e+00 -2.766979270e+00 -3.051476929e+00 3.24 -1.881943158e+00 -2.705763931e+00 -2.993522515e+00 3.26 -1.826573700e+00 -2.644576146e+00 -2.934809996e+00 3.28 -1.772262679e+00 -2.583532143e+00 -2.875574155e+00 3.30 -1.719028871e+00 -2.522737304e+00 -2.815987966e+00 3.32 -1.666889564e+00 -2.462286915e+00 -2.756191124e+00 3.34 -1.615854151e+00 -2.402266914e+00 -2.696311648e+00 3.36 -1.565931828e+00 -2.342754727e+00 -2.636466659e+00 3.38 -1.517118634e+00 -2.283819884e+00 -2.576762986e+00 3.40 -1.469432976e+00 -2.225563157e+00 -2.517297944e+00 3.42 -1.422899050e+00 -2.168531041e+00 -2.458159930e+00 3.44 -1.377495279e+00 -2.112214074e+00 -2.399428955e+00 3.46 -1.333147927e+00 -2.056656599e+00 -2.341177323e+00 3.48 -1.289808776e+00 -2.001898653e+00 -2.283470498e+00 3.50 -1.247457363e+00 -1.947974070e+00 -2.226366936e+00 3.52 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-1.339233917e+00 3.88 -6.374673702e-01 -1.100018882e+00 -1.298570856e+00 3.90 -6.149249910e-01 -1.064638124e+00 -1.258742665e+00 3.92 -5.924008564e-01 -1.030143999e+00 -1.219772950e+00 3.94 -5.697953039e-01 -9.965456089e-01 -1.181992089e+00 3.96 -5.470623625e-01 -9.638281007e-01 -1.145184641e+00 3.98 -5.241960088e-01 -9.318617867e-01 -1.109256399e+00 4.00 -5.012191294e-01 -9.006635603e-01 -1.074186185e+00 4.02 -4.781747260e-01 -8.701826368e-01 -1.039968543e+00 4.04 -4.550449349e-01 -8.405060226e-01 -1.006609267e+00 4.06 -4.318682417e-01 -8.117670770e-01 -9.741203988e-01 4.08 -4.089046904e-01 -7.840620295e-01 -9.424342116e-01 4.10 -3.863604761e-01 -7.574684940e-01 -9.113968274e-01 4.12 -3.643914025e-01 -7.321455792e-01 -8.810702811e-01 4.14 -3.431122063e-01 -7.079704343e-01 -8.514785915e-01 4.16 -3.226043168e-01 -6.848574163e-01 -8.227576187e-01 4.18 -3.029222995e-01 -6.626057937e-01 -7.950116472e-01 4.20 -2.840991943e-01 -6.408762798e-01 -7.683141198e-01 4.22 -2.661509266e-01 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-7.162989548e-02 -2.518379080e-01 -3.548013213e-01 4.60 -6.656069358e-02 -2.362276380e-01 -3.351965292e-01 4.62 -6.179733188e-02 -2.213844146e-01 -3.162731005e-01 4.64 -5.732183309e-02 -2.072926924e-01 -2.980729879e-01 4.66 -5.311718894e-02 -1.939326183e-01 -2.806222439e-01 4.68 -4.916732559e-02 -1.812811526e-01 -2.639340567e-01 4.70 -4.545706657e-02 -1.693129859e-01 -2.480112915e-01 4.72 -4.197209408e-02 -1.580012858e-01 -2.328486140e-01 4.74 -3.869890968e-02 -1.473183020e-01 -2.184342580e-01 4.76 -3.562479473e-02 -1.372358516e-01 -2.047514930e-01 4.78 -3.273777109e-02 -1.277257048e-01 -1.917798349e-01 4.80 -3.002656253e-02 -1.187417719e-01 -1.794960438e-01 4.82 -2.748055729e-02 -1.108110837e-01 -1.678749416e-01 4.84 -2.508977184e-02 -1.035455340e-01 -1.568900787e-01 4.86 -2.284481598e-02 -9.669415706e-02 -1.465142727e-01 4.88 -2.073685917e-02 -9.023514169e-02 -1.367200401e-01 4.90 -1.875759863e-02 -8.414750817e-02 -1.274799413e-01 4.92 -1.689922879e-02 -7.841113682e-02 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