# 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 = Au3Pd # 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 1.054140985e+03 nan nan 0.92 9.617712381e+02 nan nan 0.94 8.784060940e+02 nan nan 0.96 8.030481275e+02 nan nan 0.98 7.348251176e+02 1.059609172e+03 nan 1.00 6.729728036e+02 9.739246609e+02 1.095708255e+03 1.02 6.168189897e+02 8.959562002e+02 1.009123943e+03 1.04 5.657727019e+02 8.249122523e+02 9.301731321e+02 1.06 5.193120298e+02 7.600944289e+02 8.580878234e+02 1.08 4.769754332e+02 7.008846574e+02 7.921894185e+02 1.10 4.383528149e+02 6.467333264e+02 7.318739354e+02 1.12 4.030810312e+02 5.971531452e+02 6.766058936e+02 1.14 3.708363093e+02 5.517097144e+02 6.259073037e+02 1.16 3.413302409e+02 5.100146649e+02 5.793520700e+02 1.18 3.143047258e+02 4.717214229e+02 5.365592807e+02 1.20 2.895290261e+02 4.365195755e+02 4.971870279e+02 1.22 2.667965738e+02 4.041306710e+02 4.609290399e+02 1.24 2.459212049e+02 3.743037808e+02 4.275099682e+02 1.26 2.267359649e+02 3.468137279e+02 3.966812675e+02 1.28 2.090905026e+02 3.214573708e+02 3.682193194e+02 1.30 1.928494148e+02 2.980515765e+02 3.419224025e+02 1.32 1.778900343e+02 2.764298897e+02 3.176075885e+02 1.34 1.641018020e+02 2.564422295e+02 2.951093464e+02 1.36 1.513845822e+02 2.379526358e+02 2.742777837e+02 1.38 1.396477335e+02 2.208375661e+02 2.549768703e+02 1.40 1.288086763e+02 2.049850306e+02 2.370826709e+02 1.42 1.187927244e+02 1.902929435e+02 2.204823664e+02 1.44 1.095318100e+02 1.766681432e+02 2.050733487e+02 1.46 1.009641807e+02 1.640259212e+02 1.907619114e+02 1.48 9.303364348e+01 1.522888998e+02 1.774627376e+02 1.50 8.568865758e+01 1.413864066e+02 1.650974750e+02 1.52 7.888247046e+01 1.312538574e+02 1.535943528e+02 1.54 7.257222609e+01 1.218322581e+02 1.428878813e+02 1.56 6.671885039e+01 1.130673867e+02 1.329180029e+02 1.58 6.128663261e+01 1.049094446e+02 1.236295136e+02 1.60 5.624308145e+01 9.731270389e+01 1.149718835e+02 1.62 5.155794525e+01 9.023538055e+01 1.068987753e+02 1.64 4.720382301e+01 8.363898628e+01 9.936716901e+01 1.66 4.315555740e+01 7.748812207e+01 9.233775583e+01 1.68 3.939000962e+01 7.175029856e+01 8.577432459e+01 1.70 3.588601379e+01 6.639560376e+01 7.964343348e+01 1.72 3.262813889e+01 6.139647584e+01 7.391431088e+01 1.74 2.959396350e+01 5.672744025e+01 6.855855417e+01 1.76 2.677742399e+01 5.236504252e+01 6.354994604e+01 1.78 2.416375293e+01 4.828773984e+01 5.886435278e+01 1.80 2.173991088e+01 4.447540107e+01 5.447916310e+01 1.82 1.949367595e+01 4.090947792e+01 5.037359710e+01 1.84 1.741349197e+01 3.757288258e+01 4.652849404e+01 1.86 1.548861971e+01 3.445221182e+01 4.292611724e+01 1.88 1.370893931e+01 3.153117824e+01 3.954997003e+01 1.90 1.206496072e+01 2.879846495e+01 3.638478818e+01 1.92 1.054782925e+01 2.624767714e+01 3.342040309e+01 1.94 9.149207229e+00 2.386708949e+01 3.063800024e+01 1.96 7.861265190e+00 2.164658619e+01 2.803483188e+01 1.98 6.676611982e+00 1.957662879e+01 2.560011559e+01 2.00 5.588267868e+00 1.764814594e+01 2.332409383e+01 2.02 4.589741347e+00 1.585265347e+01 2.119772954e+01 2.04 3.674889566e+00 1.418215027e+01 1.921209159e+01 2.06 2.838006457e+00 1.262911355e+01 1.735894018e+01 2.08 2.073646484e+00 1.118639804e+01 1.563052181e+01 2.10 1.376899190e+00 9.847226352e+00 1.401949972e+01 2.12 7.430522673e-01 8.605284541e+00 1.251884109e+01 2.14 1.676767361e-01 7.454538443e+00 1.112202674e+01 2.16 -3.533837699e-01 6.389281165e+00 9.822884053e+00 2.18 -8.240281954e-01 5.404174177e+00 8.615550137e+00 2.20 -1.247771318e+00 4.494258836e+00 7.494530082e+00 2.22 -1.627841832e+00 3.654698612e+00 6.454621533e+00 2.24 -1.967522471e+00 2.881082836e+00 5.490904588e+00 2.26 -2.270049051e+00 2.169259429e+00 4.598732126e+00 2.28 -2.538244335e+00 1.515277456e+00 3.773682212e+00 2.30 -2.774746216e+00 9.153993922e-01 3.011615007e+00 2.32 -2.982126543e+00 3.660849060e-01 2.308632995e+00 2.34 -3.162801065e+00 -1.359346940e-01 1.661047238e+00 2.36 -3.318717739e+00 -5.937758767e-01 1.065376469e+00 2.38 -3.451993814e+00 -1.010354710e+00 5.182841236e-01 2.40 -3.564427547e+00 -1.388195015e+00 1.663780287e-02 2.42 -3.657683112e+00 -1.730060567e+00 -4.424341579e-01 2.44 -3.733565345e+00 -2.038267112e+00 -8.616787885e-01 2.46 -3.793188414e+00 -2.315319300e+00 -1.243514717e+00 2.48 -3.837891234e+00 -2.563387569e+00 -1.590364738e+00 2.50 -3.869260019e+00 -2.784510561e+00 -1.904741049e+00 2.52 -3.888473891e+00 -2.980602913e+00 -2.188802947e+00 2.54 -3.896631110e+00 -3.153462144e+00 -2.444561600e+00 2.56 -3.894769168e+00 -3.304775192e+00 -2.673938199e+00 2.58 -3.883849998e+00 -3.436124630e+00 -2.878740193e+00 2.60 -3.864764909e+00 -3.548994574e+00 -3.060667502e+00 2.62 -3.838339241e+00 -3.644776282e+00 -3.221318428e+00 2.64 -3.805336868e+00 -3.724773527e+00 -3.362195437e+00 2.66 -3.766545310e+00 -3.790252472e+00 -3.484810524e+00 2.68 -3.722610223e+00 -3.842159216e+00 -3.590486376e+00 2.70 -3.674052831e+00 -3.881582863e+00 -3.680368800e+00 2.72 -3.621428474e+00 -3.909492745e+00 -3.755625230e+00 2.74 -3.565249594e+00 -3.927004366e+00 -3.817337316e+00 2.76 -3.505988091e+00 -3.934989471e+00 -3.866277427e+00 2.78 -3.444135826e+00 -3.934623421e+00 -3.903613563e+00 2.80 -3.380197807e+00 -3.926666440e+00 -3.930454531e+00 2.82 -3.314366243e+00 -3.911470570e+00 -3.947519011e+00 2.84 -3.246516373e+00 -3.889697577e+00 -3.955600967e+00 2.86 -3.176166925e+00 -3.861965315e+00 -3.955444142e+00 2.88 -3.104969432e+00 -3.828849777e+00 -3.947744706e+00 2.90 -3.033142524e+00 -3.790950020e+00 -3.933154018e+00 2.92 -2.960919711e+00 -3.749397688e+00 -3.912281228e+00 2.94 -2.888519381e+00 -3.703926389e+00 -3.885695740e+00 2.96 -2.816470831e+00 -3.654969354e+00 -3.853929536e+00 2.98 -2.745047938e+00 -3.602929235e+00 -3.817479373e+00 3.00 -2.674133739e+00 -3.548179923e+00 -3.776808842e+00 3.02 -2.603632896e+00 -3.491068272e+00 -3.732350327e+00 3.04 -2.533671270e+00 -3.431914085e+00 -3.684506769e+00 3.06 -2.464369181e+00 -3.371018474e+00 -3.633669135e+00 3.08 -2.396090854e+00 -3.308537464e+00 -3.580704553e+00 3.10 -2.328805256e+00 -3.243846219e+00 -3.525406348e+00 3.12 -2.262409471e+00 -3.177777849e+00 -3.468061392e+00 3.14 -2.196974500e+00 -3.111010655e+00 -3.408949285e+00 3.16 -2.132561945e+00 -3.043750589e+00 -3.348328586e+00 3.18 -2.069224694e+00 -2.976177071e+00 -3.285930019e+00 3.20 -2.007009054e+00 -2.908453569e+00 -3.221435161e+00 3.22 -1.945952630e+00 -2.840729347e+00 -3.156928663e+00 3.24 -1.886088526e+00 -2.773134990e+00 -3.091970155e+00 3.26 -1.827441596e+00 -2.706077941e+00 -3.026561169e+00 3.28 -1.770034042e+00 -2.639471864e+00 -2.960863797e+00 3.30 -1.713878668e+00 -2.573320046e+00 -2.895026455e+00 3.32 -1.658990819e+00 -2.507714471e+00 -2.829185294e+00 3.34 -1.605378019e+00 -2.442738463e+00 -2.763464983e+00 3.36 -1.553037754e+00 -2.378466527e+00 -2.697979438e+00 3.38 -1.501965522e+00 -2.314965050e+00 -2.632832443e+00 3.40 -1.452160274e+00 -2.252328464e+00 -2.568118344e+00 3.42 -1.403594621e+00 -2.191049922e+00 -2.503922792e+00 3.44 -1.356231735e+00 -2.130673342e+00 -2.440323252e+00 3.46 -1.310021212e+00 -2.071240434e+00 -2.377389181e+00 3.48 -1.264955567e+00 -2.012786682e+00 -2.315183194e+00 3.50 -1.221033906e+00 -1.955343462e+00 -2.253761312e+00 3.52 -1.178253279e+00 -1.898936090e+00 -2.193172668e+00 3.54 -1.136630223e+00 -1.843586843e+00 -2.133461730e+00 3.56 -1.096182652e+00 -1.789312779e+00 -2.074666219e+00 3.58 -1.056916351e+00 -1.736127528e+00 -2.016820255e+00 3.60 -1.018774907e+00 -1.684041386e+00 -1.959951866e+00 3.62 -9.817441463e-01 -1.633064337e+00 -1.904086411e+00 3.64 -9.458230154e-01 -1.583199706e+00 -1.849243202e+00 3.66 -9.110098198e-01 -1.534440897e+00 -1.795440539e+00 3.68 -8.772889081e-01 -1.486790417e+00 -1.742689733e+00 3.70 -8.444213302e-01 -1.440254710e+00 -1.691001932e+00 3.72 -8.124266736e-01 -1.394807633e+00 -1.640387522e+00 3.74 -7.814254224e-01 -1.350393506e+00 -1.590844885e+00 3.76 -7.515043392e-01 -1.306965166e+00 -1.542509881e+00 3.78 -7.227223935e-01 -1.264517681e+00 -1.495306140e+00 3.80 -6.951157823e-01 -1.223057419e+00 -1.449173080e+00 3.82 -6.687159963e-01 -1.182608501e+00 -1.404091021e+00 3.84 -6.437001279e-01 -1.143182461e+00 -1.360021596e+00 3.86 -6.198874741e-01 -1.104794311e+00 -1.316904218e+00 3.88 -5.969243184e-01 -1.067438023e+00 -1.274730426e+00 3.90 -5.745502698e-01 -1.031082432e+00 -1.233502501e+00 3.92 -5.525794731e-01 -9.957077883e-01 -1.193230811e+00 3.94 -5.308850504e-01 -9.613127398e-01 -1.154202020e+00 3.96 -5.093862692e-01 -9.278971115e-01 -1.116222675e+00 3.98 -4.880380092e-01 -8.954471871e-01 -1.079242646e+00 4.00 -4.668221593e-01 -8.638256083e-01 -1.043224829e+00 4.02 -4.457406336e-01 -8.329698415e-01 -1.008145640e+00 4.04 -4.247997142e-01 -8.029478676e-01 -9.740053469e-01 4.06 -4.040093300e-01 -7.738488456e-01 -9.408051612e-01 4.08 -3.833372477e-01 -7.457371489e-01 -9.085456054e-01 4.10 -3.629282980e-01 -7.186565012e-01 -8.771700613e-01 4.12 -3.429324992e-01 -6.926335178e-01 -8.464950572e-01 4.14 -3.234638232e-01 -6.677460170e-01 -8.165860035e-01 4.16 -3.046066101e-01 -6.440726250e-01 -7.875372708e-01 4.18 -2.864209525e-01 -6.214099742e-01 -7.594196281e-01 4.20 -2.689472057e-01 -5.994692599e-01 -7.322830872e-01 4.22 -2.522097565e-01 -5.780335300e-01 -7.061603274e-01 4.24 -2.362201666e-01 -5.569458287e-01 -6.810696395e-01 4.26 -2.209797879e-01 -5.360973073e-01 -6.571582605e-01 4.28 -2.064819314e-01 -5.154172952e-01 -6.343834257e-01 4.30 -1.927136620e-01 -4.948650442e-01 -6.124438714e-01 4.32 -1.796572757e-01 -4.744228948e-01 -5.910987478e-01 4.34 -1.672915136e-01 -4.540906495e-01 -5.701699532e-01 4.36 -1.555925536e-01 -4.338809690e-01 -5.495301616e-01 4.38 -1.445348180e-01 -4.138020315e-01 -5.290927608e-01 4.40 -1.340916242e-01 -3.938022849e-01 -5.088034271e-01 4.42 -1.242357083e-01 -3.739832372e-01 -4.886331018e-01 4.44 -1.149396411e-01 -3.544896922e-01 -4.685721657e-01 4.46 -1.061761563e-01 -3.354350876e-01 -4.486256341e-01 4.48 -9.791840476e-02 -3.169057664e-01 -4.288092183e-01 4.50 -9.014015006e-02 -2.989656099e-01 -4.091164451e-01 4.52 -8.282056977e-02 -2.816599624e-01 -3.895086725e-01 4.54 -7.628175096e-02 -2.650189493e-01 -3.701216082e-01 4.56 -7.060153773e-02 -2.490601675e-01 -3.510851651e-01 4.58 -6.524417068e-02 -2.337821161e-01 -3.325001662e-01 4.60 -6.019225505e-02 -2.194462226e-01 -3.144431699e-01 4.62 -5.542917403e-02 -2.060241418e-01 -2.969705760e-01 4.64 -5.093908251e-02 -1.932400612e-01 -2.801221130e-01 4.66 -4.670689480e-02 -1.810871206e-01 -2.639237957e-01 4.68 -4.271826750e-02 -1.695468410e-01 -2.483904252e-01 4.70 -3.895957882e-02 -1.585988131e-01 -2.335276980e-01 4.72 -3.542116062e-02 -1.482213158e-01 -2.193339836e-01 4.74 -3.211086311e-02 -1.383917912e-01 -2.058018164e-01 4.76 -2.982158266e-02 -1.290872314e-01 -1.929191450e-01 4.78 -2.770542199e-02 -1.202844889e-01 -1.806703735e-01 4.80 -2.571520215e-02 -1.119475627e-01 -1.690372277e-01 4.82 -2.384020400e-02 -1.044506951e-01 -1.579994720e-01 4.84 -2.207391888e-02 -9.751358179e-02 -1.475355009e-01 4.86 -2.041019214e-02 -9.095348202e-02 -1.376228231e-01 4.88 -1.884320519e-02 -8.475161577e-02 -1.282384551e-01 4.90 -1.736745823e-02 -7.888983975e-02 -1.193592398e-01 4.92 -1.597775380e-02 -7.335068094e-02 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