# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuPt3 # 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 1.248309091e+03 nan nan 0.92 1.140636684e+03 nan nan 0.94 1.043308443e+03 nan nan 0.96 9.551884739e+02 nan nan 0.98 8.752823448e+02 1.255227646e+03 nan 1.00 8.027190809e+02 1.155329505e+03 1.297414164e+03 1.02 7.367317068e+02 1.064293815e+03 1.196496244e+03 1.04 6.766450595e+02 9.812192010e+02 1.104346302e+03 1.06 6.218628235e+02 9.053103673e+02 1.020090010e+03 1.08 5.718571623e+02 8.358632679e+02 9.429547105e+02 1.10 5.261590023e+02 7.722511136e+02 8.722521475e+02 1.12 4.843521679e+02 7.139176690e+02 8.073717248e+02 1.14 4.460656970e+02 6.603669966e+02 7.477679390e+02 1.16 4.109690834e+02 6.111552965e+02 6.929539510e+02 1.18 3.787661778e+02 5.658864640e+02 6.424942015e+02 1.20 3.491920665e+02 5.242056327e+02 5.959975510e+02 1.22 3.220093399e+02 4.857937536e+02 5.531133990e+02 1.24 2.970040983e+02 4.503632792e+02 5.135262845e+02 1.26 2.739840978e+02 4.176557633e+02 4.769512139e+02 1.28 2.527762790e+02 3.874383562e+02 4.431317442e+02 1.30 2.332242295e+02 3.595007394e+02 4.118365186e+02 1.32 2.151860328e+02 3.336515653e+02 3.828552811e+02 1.34 1.985337992e+02 3.097182477e+02 3.559979290e+02 1.36 1.831516125e+02 2.875442665e+02 3.310920251e+02 1.38 1.689341029e+02 2.669873672e+02 3.079811087e+02 1.40 1.557852700e+02 2.479182680e+02 2.865221494e+02 1.42 1.436181423e+02 2.302188786e+02 2.665850328e+02 1.44 1.323535078e+02 2.137813079e+02 2.480513229e+02 1.46 1.219191732e+02 1.985074817e+02 2.308128297e+02 1.48 1.122490801e+02 1.843076287e+02 2.147708978e+02 1.50 1.032827008e+02 1.710996276e+02 1.998344839e+02 1.52 9.496501017e+01 1.588083281e+02 1.859202735e+02 1.54 8.724567795e+01 1.473649485e+02 1.729522972e+02 1.56 8.007853398e+01 1.367062114e+02 1.608607081e+02 1.58 7.342129400e+01 1.267737084e+02 1.495813060e+02 1.60 6.723528650e+01 1.175138322e+02 1.390551404e+02 1.62 6.148457959e+01 1.088776003e+02 1.292280116e+02 1.64 5.613649310e+01 1.008199017e+02 1.200495949e+02 1.66 5.116099881e+01 9.329907743e+01 1.114738125e+02 1.68 4.653047573e+01 8.627677947e+01 1.034581549e+02 1.70 4.221945985e+01 7.971762856e+01 9.596332265e+01 1.72 3.820451441e+01 7.358895350e+01 8.895294696e+01 1.74 3.446406188e+01 6.786055519e+01 8.239349734e+01 1.76 3.098470559e+01 6.250452827e+01 7.625395101e+01 1.78 2.776071633e+01 5.749520268e+01 7.050573431e+01 1.80 2.478001184e+01 5.280845417e+01 6.512196325e+01 1.82 2.202635293e+01 4.842209167e+01 6.007790611e+01 1.84 1.948454532e+01 4.431565299e+01 5.535073813e+01 1.86 1.714036925e+01 4.047017383e+01 5.091928577e+01 1.88 1.498049229e+01 3.686807117e+01 4.676388623e+01 1.90 1.299238180e+01 3.349424257e+01 4.286625643e+01 1.92 1.116441258e+01 3.034114872e+01 3.920941170e+01 1.94 9.485631049e+00 2.740486823e+01 3.577757776e+01 1.96 7.945666049e+00 2.467383712e+01 3.255862964e+01 1.98 6.535106451e+00 2.213536894e+01 2.954948150e+01 2.00 5.244898439e+00 1.977750387e+01 2.674345391e+01 2.02 4.066622101e+00 1.758900840e+01 2.412931409e+01 2.04 2.992446251e+00 1.555931150e+01 2.169510678e+01 2.06 2.015035818e+00 1.367845988e+01 1.942992111e+01 2.08 1.127367291e+00 1.193698576e+01 1.732351261e+01 2.10 3.231351337e-01 1.032606103e+01 1.536621405e+01 2.12 -4.036844799e-01 8.837329791e+00 1.354887267e+01 2.14 -1.057943614e+00 7.462944413e+00 1.186292773e+01 2.16 -1.645619109e+00 6.195590219e+00 1.030027988e+01 2.18 -2.171711238e+00 5.028394718e+00 8.853211950e+00 2.20 -2.640867754e+00 3.954916985e+00 7.514558409e+00 2.22 -3.057426965e+00 2.969014046e+00 6.277553393e+00 2.24 -3.425329508e+00 2.064992655e+00 5.135807170e+00 2.26 -3.748496541e+00 1.237486657e+00 4.083298306e+00 2.28 -4.030876282e+00 4.814278580e-01 3.114343075e+00 2.30 -4.275383352e+00 -2.079948602e-01 2.223597068e+00 2.32 -4.485173029e+00 -8.347727077e-01 1.406030054e+00 2.34 -4.663217635e+00 -1.403373678e+00 6.569016945e-01 2.36 -4.812050883e+00 -1.917920187e+00 -2.825237159e-02 2.38 -4.934098568e+00 -2.382148481e+00 -6.534299293e-01 2.40 -5.031508096e+00 -2.799568587e+00 -1.222826563e+00 2.42 -5.106647876e+00 -3.173499259e+00 -1.740159326e+00 2.44 -5.161779698e+00 -3.506901087e+00 -2.208924156e+00 2.46 -5.198507188e+00 -3.802786666e+00 -2.632410530e+00 2.48 -5.218471056e+00 -4.063885373e+00 -3.013708607e+00 2.50 -5.223259377e+00 -4.292758227e+00 -3.355803430e+00 2.52 -5.214410353e+00 -4.491806648e+00 -3.661317786e+00 2.54 -5.193291465e+00 -4.663281524e+00 -3.932843636e+00 2.56 -5.161166556e+00 -4.809291776e+00 -4.172795862e+00 2.58 -5.119202853e+00 -4.931765842e+00 -4.383442014e+00 2.60 -5.068477372e+00 -5.031914503e+00 -4.566910635e+00 2.62 -5.009982937e+00 -5.112151746e+00 -4.725199135e+00 2.64 -4.944634380e+00 -5.174110088e+00 -4.860181567e+00 2.66 -4.873559681e+00 -5.219541611e+00 -4.973655405e+00 2.68 -4.797504132e+00 -5.249855842e+00 -5.067189403e+00 2.70 -4.716890002e+00 -5.266096031e+00 -5.142366741e+00 2.72 -4.632371818e+00 -5.269470098e+00 -5.200630234e+00 2.74 -4.544195627e+00 -5.261188979e+00 -5.243333732e+00 2.76 -4.451302243e+00 -5.242310637e+00 -5.271744766e+00 2.78 -4.356200787e+00 -5.214896308e+00 -5.287011062e+00 2.80 -4.259470961e+00 -5.179489948e+00 -5.290314367e+00 2.82 -4.161475899e+00 -5.136230363e+00 -5.282654809e+00 2.84 -4.063192579e+00 -5.085912968e+00 -5.265000491e+00 2.86 -3.965246112e+00 -5.029279211e+00 -5.238254952e+00 2.88 -3.866766439e+00 -4.967017808e+00 -5.203261309e+00 2.90 -3.768220316e+00 -4.899795920e+00 -5.160805846e+00 2.92 -3.669854203e+00 -4.828484393e+00 -5.111621347e+00 2.94 -3.571902253e+00 -4.753300493e+00 -5.056390301e+00 2.96 -3.474852894e+00 -4.674761654e+00 -4.995747910e+00 2.98 -3.378589726e+00 -4.593044632e+00 -4.930284931e+00 3.00 -3.283266506e+00 -4.507117008e+00 -4.860550364e+00 3.02 -3.189025822e+00 -4.419070743e+00 -4.787053975e+00 3.04 -3.095993481e+00 -4.329444760e+00 -4.710262756e+00 3.06 -3.004279826e+00 -4.238582090e+00 -4.630598338e+00 3.08 -2.913997553e+00 -4.146785654e+00 -4.548780070e+00 3.10 -2.825420580e+00 -4.054351982e+00 -4.464354330e+00 3.12 -2.738394531e+00 -3.961253169e+00 -4.378265011e+00 3.14 -2.652981197e+00 -3.867966197e+00 -4.290801393e+00 3.16 -2.569232177e+00 -3.774741665e+00 -4.202255146e+00 3.18 -2.487190519e+00 -3.681770872e+00 -4.112912824e+00 3.20 -2.406887671e+00 -3.589227601e+00 -4.022857086e+00 3.22 -2.328458856e+00 -3.497268536e+00 -3.932610670e+00 3.24 -2.251836455e+00 -3.406016146e+00 -3.842301929e+00 3.26 -2.177004552e+00 -3.316565459e+00 -3.752038663e+00 3.28 -2.103982619e+00 -3.228345901e+00 -3.661995729e+00 3.30 -2.032757726e+00 -3.141123383e+00 -3.572332648e+00 3.32 -1.963334582e+00 -3.054990007e+00 -3.483194151e+00 3.34 -1.895725056e+00 -2.970028726e+00 -3.394711310e+00 3.36 -1.829761613e+00 -2.886312597e+00 -3.307002484e+00 3.38 -1.765248502e+00 -2.803905095e+00 -3.220174220e+00 3.40 -1.702214894e+00 -2.722872964e+00 -3.134322026e+00 3.42 -1.640865757e+00 -2.643411510e+00 -3.049531056e+00 3.44 -1.581330645e+00 -2.565392275e+00 -2.965876924e+00 3.46 -1.523548244e+00 -2.488849427e+00 -2.883426652e+00 3.48 -1.467445860e+00 -2.413810377e+00 -2.802238812e+00 3.50 -1.412971343e+00 -2.340296860e+00 -2.722364135e+00 3.52 -1.360097548e+00 -2.268325581e+00 -2.643847057e+00 3.54 -1.308811689e+00 -2.197905756e+00 -2.566724567e+00 3.56 -1.259103306e+00 -2.129054983e+00 -2.491028219e+00 3.58 -1.210940783e+00 -2.061766193e+00 -2.416783995e+00 3.60 -1.164261669e+00 -1.996038733e+00 -2.344012136e+00 3.62 -1.119041624e+00 -1.931893244e+00 -2.272728791e+00 3.64 -1.075270618e+00 -1.869243126e+00 -2.202942979e+00 3.66 -1.032932484e+00 -1.807910777e+00 -2.134672617e+00 3.68 -9.919257942e-01 -1.747810882e+00 -2.067910156e+00 3.70 -9.520902994e-01 -1.689084055e+00 -2.002656503e+00 3.72 -9.134717511e-01 -1.631888637e+00 -1.938932914e+00 3.74 -8.761736259e-01 -1.576280192e+00 -1.876646440e+00 3.76 -8.402665168e-01 -1.522187423e+00 -1.816099912e+00 3.78 -8.057940422e-01 -1.469556506e+00 -1.756968210e+00 3.80 -7.728095602e-01 -1.418345728e+00 -1.699126435e+00 3.82 -7.413546583e-01 -1.368528899e+00 -1.642724463e+00 3.84 -7.114297146e-01 -1.320096530e+00 -1.587835572e+00 3.86 -6.827144868e-01 -1.273041392e+00 -1.534397431e+00 3.88 -6.548856610e-01 -1.227352927e+00 -1.482359172e+00 3.90 -6.277109412e-01 -1.182971193e+00 -1.431681976e+00 3.92 -6.010298272e-01 -1.139868824e+00 -1.382336279e+00 3.94 -5.747378071e-01 -1.098038339e+00 -1.334402714e+00 3.96 -5.487734253e-01 -1.057472301e+00 -1.287806448e+00 3.98 -5.231077606e-01 -1.018162002e+00 -1.242521871e+00 4.00 -4.977358446e-01 -9.799478317e-01 -1.198507163e+00 4.02 -4.726386180e-01 -9.427215888e-01 -1.155721027e+00 4.04 -4.478592264e-01 -9.065891377e-01 -1.114157770e+00 4.06 -4.234039208e-01 -8.716301830e-01 -1.073811918e+00 4.08 -3.993744700e-01 -8.379001119e-01 -1.034677568e+00 4.10 -3.759327842e-01 -8.054340749e-01 -9.966914078e-01 4.12 -3.531992393e-01 -7.742504829e-01 -9.596465701e-01 4.14 -3.312603292e-01 -7.444388065e-01 -9.236180671e-01 4.16 -3.101750567e-01 -7.160823726e-01 -8.886933530e-01 4.18 -2.899802554e-01 -6.888448898e-01 -8.549354055e-01 4.20 -2.706950123e-01 -6.624409881e-01 -8.223866827e-01 4.22 -2.523243315e-01 -6.366597863e-01 -7.910725286e-01 4.24 -2.348621623e-01 -6.113502921e-01 -7.610114636e-01 4.26 -2.182938927e-01 -5.864092101e-01 -7.323860029e-01 4.28 -2.025983961e-01 -5.617708022e-01 -7.050255056e-01 4.30 -1.877493106e-01 -5.373984937e-01 -6.786149814e-01 4.32 -1.736829792e-01 -5.132779618e-01 -6.529174399e-01 4.34 -1.616049249e-01 -4.894114702e-01 -6.277591464e-01 4.36 -1.508000730e-01 -4.658120448e-01 -6.030172359e-01 4.38 -1.406010827e-01 -4.424289034e-01 -5.786093417e-01 4.40 -1.309745956e-01 -4.192843692e-01 -5.544849488e-01 4.42 -1.218927633e-01 -3.965447704e-01 -5.306182183e-01 4.44 -1.133282836e-01 -3.743420287e-01 -5.070020662e-01 4.46 -1.052545611e-01 -3.527758491e-01 -4.836433071e-01 4.48 -9.764582499e-02 -3.319193106e-01 -4.605524388e-01 4.50 -9.047721464e-02 -3.118235888e-01 -4.376562682e-01 4.52 -8.372483469e-02 -2.925219395e-01 -4.150432917e-01 4.54 -7.736578942e-02 -2.740330506e-01 -3.928650372e-01 4.56 -7.137820015e-02 -2.563635729e-01 -3.712383666e-01 4.58 -6.574120623e-02 -2.394870079e-01 -3.502513080e-01 4.60 -6.043495632e-02 -2.240803385e-01 -3.299680136e-01 4.62 -5.544059071e-02 -2.100620602e-01 -3.104329585e-01 4.64 -5.074021726e-02 -1.967186938e-01 -2.916744921e-01 4.66 -4.631688258e-02 -1.840524393e-01 -2.737078360e-01 4.68 -4.215453943e-02 -1.720399771e-01 -2.565376036e-01 4.70 -3.823801181e-02 -1.606566758e-01 -2.401599170e-01 4.72 -3.455570944e-02 -1.498771667e-01 -2.245641786e-01 4.74 -3.111110651e-02 -1.396757307e-01 -2.097345498e-01 4.76 -2.857086952e-02 -1.300266100e-01 -1.956511805e-01 4.78 -2.621357893e-02 -1.209042552e-01 -1.822912260e-01 4.80 -2.399717087e-02 -1.122787428e-01 -1.696296888e-01 4.82 -2.191051510e-02 -1.042717815e-01 -1.576401033e-01 4.84 -1.994617099e-02 -9.676380166e-02 -1.462950993e-01 4.86 -1.809710901e-02 -8.967227264e-02 -1.355668563e-01 4.88 -1.635668996e-02 -8.297575968e-02 -1.254274680e-01 4.90 -1.471864496e-02 -7.665364322e-02 -1.158492318e-01 4.92 -1.317705620e-02 -7.068614074e-02 -1.068048776e-01 4.94 -1.172633854e-02 -6.505431654e-02 -9.826774341e-02 4.96 -1.034645786e-02 -5.974008086e-02 -9.021190852e-02 4.98 -9.365909071e-03 -5.472618142e-02 -8.261229049e-02 5.00 -8.497799488e-03 -4.999618869e-02 -7.544471370e-02 5.02 -7.677594708e-03 -4.553447758e-02 -6.868595570e-02 5.04 -6.902725113e-03 -4.132620495e-02 -6.231377376e-02 5.06 -6.170752823e-03 -3.735728305e-02 -5.630691363e-02 5.08 -5.479365427e-03 -3.361435272e-02 -5.064510860e-02 5.10 -4.826369914e-03 -3.008475507e-02 -4.530906839e-02 5.12 -4.209686913e-03 -2.675650276e-02 -4.028046096e-02 5.14 -3.627345110e-03 -2.361825060e-02 -3.554188794e-02 5.16 -3.077475905e-03 -2.065926617e-02 -3.107685579e-02 5.18 -2.558308351e-03 -1.786940107e-02 -2.686974429e-02 5.20 -2.068164346e-03 -1.523906276e-02 -2.290577308e-02 5.22 -1.605454053e-03 -1.275918724e-02 -1.917096713e-02 5.24 -1.168671399e-03 -1.042121192e-02 -1.565212057e-02 5.26 -7.563798773e-04 -8.217009800e-03 -1.233670093e-02 5.28 -3.678848970e-04 -6.141563247e-03 -9.216871049e-03 5.30 -1.618216444e-05 -4.244545322e-03 -6.366979279e-03 5.32 -2.557614125e-06 -3.724816042e-03 -5.587246688e-03 5.34 0.000000000e+00 -3.276883580e-03 -4.915325370e-03 5.36 0.000000000e+00 -2.865244639e-03 -4.297866958e-03 5.38 0.000000000e+00 -2.478199821e-03 -3.717299731e-03 5.40 0.000000000e+00 -2.114327461e-03 -3.171491191e-03 5.42 0.000000000e+00 -1.772285106e-03 -2.658427660e-03 5.44 0.000000000e+00 -1.450805256e-03 -2.176207885e-03 5.46 0.000000000e+00 -1.148691345e-03 -1.723037018e-03 5.48 0.000000000e+00 -8.648139446e-04 -1.297220917e-03 5.50 0.000000000e+00 -5.981071620e-04 -8.971607429e-04 5.52 0.000000000e+00 -3.475651749e-04 -5.213477624e-04 5.54 0.000000000e+00 -1.107283195e-04 -1.660924792e-04 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 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