# 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 = Au3Pt # 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 1.142768015e+03 nan nan 0.92 1.044026700e+03 nan nan 0.94 9.548120426e+02 nan nan 0.96 8.740705660e+02 nan nan 0.98 8.008813713e+02 1.148943324e+03 nan 1.00 7.344384208e+02 1.057346080e+03 1.187546834e+03 1.02 6.740331189e+02 9.739093238e+02 1.095006119e+03 1.04 6.190431405e+02 8.977971667e+02 1.010542519e+03 1.06 5.689187183e+02 8.282728043e+02 9.333444562e+02 1.08 5.231742961e+02 7.646847343e+02 8.626953891e+02 1.10 4.813785358e+02 7.064537970e+02 7.979576641e+02 1.12 4.431497002e+02 6.530670006e+02 7.385665362e+02 1.14 4.081472209e+02 6.040672819e+02 6.840181341e+02 1.16 3.760679368e+02 5.590461502e+02 6.338634504e+02 1.18 3.466404429e+02 5.176394988e+02 5.877014602e+02 1.20 3.196220450e+02 4.795211609e+02 5.451722532e+02 1.22 2.947952941e+02 4.443985046e+02 5.059536439e+02 1.24 2.719639514e+02 4.120079812e+02 4.697560293e+02 1.26 2.509517704e+02 3.821128953e+02 4.363179841e+02 1.28 2.316001119e+02 3.544996488e+02 4.054044189e+02 1.30 2.137657012e+02 3.289755511e+02 3.768032208e+02 1.32 1.973185070e+02 3.053653199e+02 3.503217841e+02 1.34 1.821412729e+02 2.835108938e+02 3.257859752e+02 1.36 1.681275939e+02 2.632689474e+02 3.030380102e+02 1.38 1.551808101e+02 2.445089165e+02 2.819345078e+02 1.40 1.432127165e+02 2.271123605e+02 2.623446609e+02 1.42 1.321434172e+02 2.109711403e+02 2.441493275e+02 1.44 1.219000174e+02 1.959863789e+02 2.272400777e+02 1.46 1.124160717e+02 1.820681389e+02 2.115177326e+02 1.48 1.036310454e+02 1.691340511e+02 1.968917954e+02 1.50 9.548925259e+01 1.571086022e+02 1.832789959e+02 1.52 8.794010739e+01 1.459227527e+02 1.706029410e+02 1.54 8.093722353e+01 1.355133364e+02 1.587939081e+02 1.56 7.443807589e+01 1.258221697e+02 1.477878825e+02 1.58 6.840373839e+01 1.167956578e+02 1.375255958e+02 1.60 6.279878513e+01 1.083844977e+02 1.279528983e+02 1.62 5.759017183e+01 1.005436371e+02 1.190200363e+02 1.64 5.274777404e+01 9.323150322e+01 1.106806933e+02 1.66 4.824402490e+01 8.640961437e+01 1.028924871e+02 1.68 4.405353758e+01 8.004266140e+01 9.561633095e+01 1.70 4.015296515e+01 7.409810408e+01 8.881607926e+01 1.72 3.652084909e+01 6.854590366e+01 8.245822561e+01 1.74 3.313938843e+01 6.335825308e+01 7.651191004e+01 1.76 2.999758566e+01 5.850950318e+01 7.094859217e+01 1.78 2.707865981e+01 5.397607174e+01 6.574197117e+01 1.80 2.437201115e+01 4.973585212e+01 6.086732347e+01 1.82 2.186388091e+01 4.576846449e+01 5.630190317e+01 1.84 1.954127227e+01 4.205511901e+01 5.202471518e+01 1.86 1.739209567e+01 3.857844470e+01 4.801632717e+01 1.88 1.540498938e+01 3.532227115e+01 4.425861489e+01 1.90 1.356930075e+01 3.227805064e+01 4.073475514e+01 1.92 1.187507547e+01 2.942825677e+01 3.742917459e+01 1.94 1.031297668e+01 2.676871893e+01 3.432741588e+01 1.96 8.874245726e+00 2.428805488e+01 3.142437810e+01 1.98 7.550690859e+00 2.197555141e+01 2.870365855e+01 2.00 6.334484301e+00 1.982102000e+01 2.616042615e+01 2.02 5.218346533e+00 1.781493741e+01 2.378454396e+01 2.04 4.195456075e+00 1.594833172e+01 2.156592313e+01 2.06 3.259451736e+00 1.421278761e+01 1.949530066e+01 2.08 2.404261229e+00 1.260031135e+01 1.756397481e+01 2.10 1.624417926e+00 1.110330328e+01 1.576372696e+01 2.12 9.148383792e-01 9.714747842e+00 1.408673324e+01 2.14 2.705520146e-01 8.427884915e+00 1.252562720e+01 2.16 -3.131379393e-01 7.236358183e+00 1.107350381e+01 2.18 -8.405674947e-01 6.134217643e+00 9.723821421e+00 2.20 -1.315801850e+00 5.115923691e+00 8.470426938e+00 2.22 -1.742653452e+00 4.176120279e+00 7.307510979e+00 2.24 -2.124366991e+00 3.309885299e+00 6.229585629e+00 2.26 -2.464523434e+00 2.512593509e+00 5.231469951e+00 2.28 -2.766300071e+00 1.779853932e+00 4.308247157e+00 2.30 -3.032631912e+00 1.107536158e+00 3.455300674e+00 2.32 -3.266333147e+00 4.918841953e-01 2.668285687e+00 2.34 -3.470058428e+00 -7.091432192e-02 1.943095023e+00 2.36 -3.646072230e+00 -5.843261350e-01 1.275852835e+00 2.38 -3.796560153e+00 -1.051616860e+00 6.630915682e-01 2.40 -3.923597992e+00 -1.475860878e+00 1.011486686e-01 2.42 -4.029152561e+00 -1.859965790e+00 -4.132277507e-01 2.44 -4.115279313e+00 -2.206384368e+00 -8.830983510e-01 2.46 -4.183411986e+00 -2.517914087e+00 -1.311348305e+00 2.48 -4.235050430e+00 -2.796974400e+00 -1.700691850e+00 2.50 -4.271578255e+00 -3.045839380e+00 -2.053766651e+00 2.52 -4.294468502e+00 -3.266646319e+00 -2.372880373e+00 2.54 -4.304950341e+00 -3.461403277e+00 -2.660328131e+00 2.56 -4.304186190e+00 -3.631996231e+00 -2.918251828e+00 2.58 -4.293254120e+00 -3.780199068e+00 -3.148667409e+00 2.60 -4.273153297e+00 -3.907445970e+00 -3.353471749e+00 2.62 -4.244809082e+00 -4.015511782e+00 -3.534449193e+00 2.64 -4.209078013e+00 -4.105869247e+00 -3.693277943e+00 2.66 -4.166845024e+00 -4.179937713e+00 -3.831573835e+00 2.68 -4.118833207e+00 -4.239006584e+00 -3.950747931e+00 2.70 -4.065624943e+00 -4.284182358e+00 -4.052225596e+00 2.72 -4.007842572e+00 -4.316384248e+00 -4.137314794e+00 2.74 -3.946087322e+00 -4.336927875e+00 -4.207243961e+00 2.76 -3.880198034e+00 -4.346789272e+00 -4.263166172e+00 2.78 -3.811268000e+00 -4.347176856e+00 -4.306129068e+00 2.80 -3.740006628e+00 -4.338990057e+00 -4.337212415e+00 2.82 -3.666648378e+00 -4.322703892e+00 -4.357337779e+00 2.84 -3.591577261e+00 -4.299062198e+00 -4.367394879e+00 2.86 -3.514982171e+00 -4.268759107e+00 -4.368218360e+00 2.88 -3.436577753e+00 -4.232441518e+00 -4.360589596e+00 2.90 -3.357385727e+00 -4.190779160e+00 -4.345239730e+00 2.92 -3.277711636e+00 -4.145013466e+00 -4.322852533e+00 2.94 -3.197799758e+00 -4.094877269e+00 -4.294067128e+00 2.96 -3.118140435e+00 -4.040855910e+00 -4.259480559e+00 2.98 -3.039084478e+00 -3.983432256e+00 -4.219650230e+00 3.00 -2.960541525e+00 -3.922448601e+00 -4.175096197e+00 3.02 -2.882437936e+00 -3.858646569e+00 -4.126303348e+00 3.04 -2.804914210e+00 -3.792614626e+00 -4.073723396e+00 3.06 -2.728104746e+00 -3.724680481e+00 -4.017799729e+00 3.08 -2.652419382e+00 -3.655148160e+00 -3.959051767e+00 3.10 -2.577845182e+00 -3.584300300e+00 -3.897270466e+00 3.12 -2.504239838e+00 -3.512052487e+00 -3.833245735e+00 3.14 -2.431682993e+00 -3.438443310e+00 -3.767287071e+00 3.16 -2.360244645e+00 -3.364325692e+00 -3.699682027e+00 3.18 -2.289984678e+00 -3.289840396e+00 -3.630710261e+00 3.20 -2.220954683e+00 -3.215175709e+00 -3.560478448e+00 3.22 -2.153199188e+00 -3.140497429e+00 -3.489480291e+00 3.24 -2.086753590e+00 -3.065950452e+00 -3.417842848e+00 3.26 -2.021648089e+00 -2.991990011e+00 -3.345702262e+00 3.28 -1.957908052e+00 -2.918516508e+00 -3.273227229e+00 3.30 -1.895557666e+00 -2.845532492e+00 -3.200583122e+00 3.32 -1.834594556e+00 -2.773140290e+00 -3.127921333e+00 3.34 -1.775024409e+00 -2.701432326e+00 -3.055380414e+00 3.36 -1.716827633e+00 -2.630491347e+00 -2.983086902e+00 3.38 -1.659958516e+00 -2.560391341e+00 -2.911156091e+00 3.40 -1.604398334e+00 -2.491232519e+00 -2.839692777e+00 3.42 -1.550208904e+00 -2.423505727e+00 -2.768792021e+00 3.44 -1.497461187e+00 -2.356769799e+00 -2.698539783e+00 3.46 -1.446153269e+00 -2.291070755e+00 -2.629013276e+00 3.48 -1.396202735e+00 -2.226447746e+00 -2.560281819e+00 3.50 -1.347540125e+00 -2.162935764e+00 -2.492407732e+00 3.52 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-1.455242603e+00 3.88 -6.544331338e-01 -1.180128520e+00 -1.408652764e+00 3.90 -6.296905056e-01 -1.139901983e+00 -1.363142529e+00 3.92 -6.053990536e-01 -1.100744650e+00 -1.318665196e+00 3.94 -5.814017479e-01 -1.062653468e+00 -1.275482103e+00 3.96 -5.575999705e-01 -1.025630406e+00 -1.233415050e+00 3.98 -5.339398927e-01 -9.896768331e-01 -1.192426201e+00 4.00 -5.104014021e-01 -9.547701123e-01 -1.152526802e+00 4.02 -4.869891577e-01 -9.206601033e-01 -1.113662778e+00 4.04 -4.637068576e-01 -8.873886820e-01 -1.075822315e+00 4.06 -4.405756968e-01 -8.550806297e-01 -1.039008658e+00 4.08 -4.175853393e-01 -8.238279905e-01 -1.003224603e+00 4.10 -3.948985771e-01 -7.936955489e-01 -9.684719855e-01 4.12 -3.726912448e-01 -7.647255133e-01 -9.345793338e-01 4.14 -3.510957252e-01 -7.369418308e-01 -9.014442262e-01 4.16 -3.302088901e-01 -7.105359789e-01 -8.691974953e-01 4.18 -3.100987305e-01 -6.854123265e-01 -8.379395755e-01 4.20 -2.908098845e-01 -6.611944069e-01 -8.077433554e-01 4.22 -2.723682311e-01 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-6.951269933e-02 -2.569955098e-01 -3.649076299e-01 4.60 -6.411279861e-02 -2.410525545e-01 -3.448323486e-01 4.62 -5.903314385e-02 -2.260811066e-01 -3.254131007e-01 4.64 -5.425530503e-02 -2.118381309e-01 -3.066982940e-01 4.66 -4.976180281e-02 -1.983135571e-01 -2.887196329e-01 4.68 -4.553608011e-02 -1.854862437e-01 -2.714952189e-01 4.70 -4.156247017e-02 -1.733326790e-01 -2.550321574e-01 4.72 -3.782898788e-02 -1.618277338e-01 -2.393287448e-01 4.74 -3.433913392e-02 -1.509452495e-01 -2.243762981e-01 4.76 -3.177741653e-02 -1.406585127e-01 -2.101606809e-01 4.78 -2.940200637e-02 -1.309406368e-01 -1.966635687e-01 4.80 -2.716968982e-02 -1.217501821e-01 -1.838634988e-01 4.82 -2.506906626e-02 -1.135103404e-01 -1.717367327e-01 4.84 -2.309252677e-02 -1.059027883e-01 -1.602579659e-01 4.86 -2.123288855e-02 -9.871997843e-02 -1.494009054e-01 4.88 -1.948337232e-02 -9.194014789e-02 -1.391387355e-01 4.90 -1.783758084e-02 -8.554230377e-02 -1.294444939e-01 4.92 -1.628947844e-02 -7.950626043e-02 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