# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2 # composition = Ag3Au # 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 5.877207703e+02 nan nan 1.02 5.390428270e+02 nan nan 1.04 4.946586870e+02 nan nan 1.06 4.541484078e+02 nan nan 1.08 4.171377772e+02 nan nan 1.10 3.832923564e+02 5.653547178e+02 nan 1.12 3.523134636e+02 5.222611948e+02 5.911405083e+02 1.14 3.239352591e+02 4.826617417e+02 5.471629422e+02 1.16 2.979209402e+02 4.462430877e+02 5.066694590e+02 1.18 2.740581063e+02 4.127211856e+02 4.693517108e+02 1.20 2.521547970e+02 3.818392601e+02 4.349329866e+02 1.22 2.320370989e+02 3.533660329e+02 4.031646144e+02 1.24 2.135479236e+02 3.270939719e+02 3.738225899e+02 1.26 1.965456047e+02 3.028372633e+02 3.467046842e+02 1.28 1.809020407e+02 2.804290715e+02 3.216276525e+02 1.30 1.665011026e+02 2.597183778e+02 2.984246884e+02 1.32 1.532376175e+02 2.405673986e+02 2.769435604e+02 1.34 1.410163406e+02 2.228500911e+02 2.570454242e+02 1.36 1.297507314e+02 2.064513280e+02 2.386037326e+02 1.38 1.193619555e+02 1.912660658e+02 2.215030799e+02 1.40 1.097782579e+02 1.771983481e+02 2.056382585e+02 1.42 1.009344036e+02 1.641603529e+02 1.909136230e+02 1.44 9.277090646e+01 1.520716547e+02 1.772423765e+02 1.46 8.523317216e+01 1.408586738e+02 1.645454538e+02 1.48 7.827093764e+01 1.304542559e+02 1.527501793e+02 1.50 7.183808220e+01 1.207972787e+02 1.417892403e+02 1.52 6.589253959e+01 1.118320130e+02 1.316001546e+02 1.54 6.039602698e+01 1.035073236e+02 1.221251158e+02 1.56 5.531359163e+01 9.577590829e+01 1.133108805e+02 1.58 5.061315110e+01 8.859382561e+01 1.051085471e+02 1.60 4.626514907e+01 8.192027406e+01 9.747318994e+01 1.62 4.224232936e+01 7.571747117e+01 9.036350045e+01 1.64 3.851958110e+01 6.995049671e+01 8.374146594e+01 1.66 3.507384843e+01 6.458711041e+01 7.757211151e+01 1.68 3.188402739e+01 5.959757093e+01 7.182326698e+01 1.70 2.893081572e+01 5.495448923e+01 6.646534803e+01 1.72 2.619884816e+01 5.063268375e+01 6.147113687e+01 1.74 2.367791877e+01 4.660900511e+01 5.681550591e+01 1.76 2.135446408e+01 4.286212879e+01 5.247513783e+01 1.78 1.921565009e+01 3.937235977e+01 4.842829331e+01 1.80 1.724713657e+01 3.612149012e+01 4.465466440e+01 1.82 1.543557226e+01 3.309271423e+01 4.113528066e+01 1.84 1.376859423e+01 3.027054864e+01 3.785245986e+01 1.86 1.223482488e+01 2.764073868e+01 3.478972509e+01 1.88 1.082386357e+01 2.519425742e+01 3.193173529e+01 1.90 9.526248728e+00 2.292237380e+01 2.926422658e+01 1.92 8.333392227e+00 2.081515816e+01 2.677423591e+01 1.94 7.237481741e+00 1.886289332e+01 2.445471425e+01 1.96 6.231390561e+00 1.705483018e+01 2.229620416e+01 1.98 5.308590461e+00 1.538087583e+01 2.029024147e+01 2.00 4.463079827e+00 1.383156993e+01 1.842685662e+01 2.02 3.689326346e+00 1.239807559e+01 1.669625701e+01 2.04 2.982211882e+00 1.107216057e+01 1.508935523e+01 2.06 2.336977442e+00 9.846171412e+00 1.359771692e+01 2.08 1.749167986e+00 8.712995404e+00 1.221352292e+01 2.10 1.214583312e+00 7.666017419e+00 1.092955131e+01 2.12 7.292274952e-01 6.699079270e+00 9.739143733e+00 2.14 2.892976838e-01 5.806446041e+00 8.636163531e+00 2.16 -1.088359486e-01 4.982782817e+00 7.614937573e+00 2.18 -4.686209310e-01 4.223127823e+00 6.670173905e+00 2.20 -7.932985879e-01 3.522895315e+00 5.796900379e+00 2.22 -1.085884747e+00 2.877854652e+00 4.990388696e+00 2.24 -1.349148474e+00 2.284120225e+00 4.246116721e+00 2.26 -1.585601175e+00 1.738131964e+00 3.559759788e+00 2.28 -1.797497845e+00 1.236629026e+00 2.927209465e+00 2.30 -1.986849568e+00 7.766206294e-01 2.344604709e+00 2.32 -2.155452412e+00 3.553459582e-01 1.808354758e+00 2.34 -2.304909523e+00 -2.974538685e-02 1.315148982e+00 2.36 -2.436668475e+00 -3.810312828e-01 8.619434774e-01 2.38 -2.552064517e+00 -7.007399458e-01 4.459375468e-01 2.40 -2.652392655e+00 -9.909708214e-01 6.454405274e-02 2.42 -2.738696409e+00 -1.253711078e+00 -2.846406120e-01 2.44 -2.811955654e+00 -1.490848310e+00 -6.038639027e-01 2.46 -2.873109593e+00 -1.704180335e+00 -8.952358255e-01 2.48 -2.923066888e+00 -1.895422852e+00 -1.160761098e+00 2.50 -2.962701176e+00 -2.066215532e+00 -1.402319411e+00 2.52 -2.992845175e+00 -2.218124851e+00 -1.621682436e+00 2.54 -3.014279387e+00 -2.352658946e+00 -1.820499872e+00 2.56 -3.027723334e+00 -2.471256784e+00 -2.000289279e+00 2.58 -3.033955387e+00 -2.575300586e+00 -2.162430011e+00 2.60 -3.033858815e+00 -2.666173916e+00 -2.308164732e+00 2.62 -3.027642999e+00 -2.745153964e+00 -2.438608773e+00 2.64 -3.015532972e+00 -2.813323893e+00 -2.554763860e+00 2.66 -2.997836341e+00 -2.871684178e+00 -2.657539660e+00 2.68 -2.974934319e+00 -2.921131596e+00 -2.747815827e+00 2.70 -2.947266539e+00 -2.962446901e+00 -2.826367089e+00 2.72 -2.915311576e+00 -2.996296178e+00 -2.893833458e+00 2.74 -2.879584422e+00 -3.023244023e+00 -2.950836281e+00 2.76 -2.840608333e+00 -3.043770117e+00 -2.997987863e+00 2.78 -2.798879319e+00 -3.058288496e+00 -3.035901517e+00 2.80 -2.754847181e+00 -3.067257712e+00 -3.065201802e+00 2.82 -2.708917007e+00 -3.071145571e+00 -3.086533583e+00 2.84 -2.661443987e+00 -3.070192944e+00 -3.100566064e+00 2.86 -2.612744814e+00 -3.064436640e+00 -3.107986920e+00 2.88 -2.563085201e+00 -3.053965654e+00 -3.109523197e+00 2.90 -2.512693971e+00 -3.038911986e+00 -3.106173489e+00 2.92 -2.461770386e+00 -3.019443869e+00 -3.098434109e+00 2.94 -2.410478504e+00 -2.995761924e+00 -3.086629956e+00 2.96 -2.358957693e+00 -2.968100126e+00 -3.071093809e+00 2.98 -2.307324334e+00 -2.936732947e+00 -3.052137308e+00 3.00 -2.255675475e+00 -2.901979462e+00 -3.030037193e+00 3.02 -2.204092562e+00 -2.864189764e+00 -3.005031616e+00 3.04 -2.152645072e+00 -2.823735952e+00 -2.977324239e+00 3.06 -2.101393816e+00 -2.781004577e+00 -2.947102436e+00 3.08 -2.050393778e+00 -2.736384575e+00 -2.914549675e+00 3.10 -1.999696407e+00 -2.690252143e+00 -2.879834816e+00 3.12 -1.949351361e+00 -2.642955209e+00 -2.843117371e+00 3.14 -1.899407717e+00 -2.594800533e+00 -2.804551971e+00 3.16 -1.849914644e+00 -2.546045823e+00 -2.764290652e+00 3.18 -1.800921575e+00 -2.496897826e+00 -2.722483543e+00 3.20 -1.752477876e+00 -2.447515829e+00 -2.679278549e+00 3.22 -1.704632134e+00 -2.398018942e+00 -2.634820502e+00 3.24 -1.657429182e+00 -2.348493028e+00 -2.589247223e+00 3.26 -1.610917221e+00 -2.299008846e+00 -2.542700867e+00 3.28 -1.565133602e+00 -2.249615825e+00 -2.495307727e+00 3.30 -1.520113212e+00 -2.200358588e+00 -2.447191648e+00 3.32 -1.475885343e+00 -2.151278895e+00 -2.398470371e+00 3.34 -1.432473435e+00 -2.102418705e+00 -2.349256009e+00 3.36 -1.389895182e+00 -2.053821897e+00 -2.299655995e+00 3.38 -1.348162983e+00 -2.005527418e+00 -2.249774449e+00 3.40 -1.307284654e+00 -1.957600892e+00 -2.199713908e+00 3.42 -1.267264305e+00 -1.910083779e+00 -2.149577222e+00 3.44 -1.228103258e+00 -1.863027883e+00 -2.099469387e+00 3.46 -1.189796339e+00 -1.816484699e+00 -2.049498948e+00 3.48 -1.152351792e+00 -1.770504199e+00 -1.999778573e+00 3.50 -1.115761350e+00 -1.725133683e+00 -1.950424456e+00 3.52 -1.080021977e+00 -1.680416775e+00 -1.901554297e+00 3.54 -1.045130119e+00 -1.636392592e+00 -1.853283894e+00 3.56 -1.011081497e+00 -1.593095114e+00 -1.805722700e+00 3.58 -9.778707631e-01 -1.550552750e+00 -1.758968947e+00 3.60 -9.454889711e-01 -1.508788091e+00 -1.713105139e+00 3.62 -9.139319936e-01 -1.467817820e+00 -1.668194650e+00 3.64 -8.831861473e-01 -1.427652779e+00 -1.624279938e+00 3.66 -8.532377682e-01 -1.388298163e+00 -1.581382551e+00 3.68 -8.240703863e-01 -1.349753836e+00 -1.539504757e+00 3.70 -7.956646587e-01 -1.312014767e+00 -1.498632381e+00 3.72 -7.679984304e-01 -1.275071569e+00 -1.458738339e+00 3.74 -7.410461579e-01 -1.238911132e+00 -1.419777991e+00 3.76 -7.147824163e-01 -1.203517339e+00 -1.381727964e+00 3.78 -6.891772708e-01 -1.168871835e+00 -1.344533800e+00 3.80 -6.642003791e-01 -1.134954807e+00 -1.308151747e+00 3.82 -6.398206952e-01 -1.101745747e+00 -1.272540496e+00 3.84 -6.160072363e-01 -1.069224140e+00 -1.237662757e+00 3.86 -5.927299616e-01 -1.037370042e+00 -1.203486333e+00 3.88 -5.699607558e-01 -1.006164504e+00 -1.169984714e+00 3.90 -5.476745004e-01 -9.755898294e-01 -1.137137255e+00 3.92 -5.258501931e-01 -9.456296633e-01 -1.104928999e+00 3.94 -5.044720540e-01 -9.162689217e-01 -1.073350187e+00 3.96 -4.835305235e-01 -8.874886109e-01 -1.042395558e+00 3.98 -4.630230251e-01 -8.592864562e-01 -1.012063490e+00 4.00 -4.429543457e-01 -8.316437497e-01 -9.823550760e-01 4.02 -4.233364843e-01 -8.045482041e-01 -9.532731943e-01 4.04 -4.041878483e-01 -7.779876898e-01 -9.248216383e-01 4.06 -3.855317475e-01 -7.519502259e-01 -8.970043431e-01 4.08 -3.673942354e-01 -7.264241361e-01 -8.698247394e-01 4.10 -3.498014701e-01 -7.013983856e-01 -8.432852457e-01 4.12 -3.327768760e-01 -6.768630974e-01 -8.173868949e-01 4.14 -3.163384593e-01 -6.528102247e-01 -7.921290887e-01 4.16 -3.004966337e-01 -6.292343358e-01 -7.675094580e-01 4.18 -2.852528505e-01 -6.061334427e-01 -7.435238134e-01 4.20 -2.705992027e-01 -5.835097807e-01 -7.201661627e-01 4.22 -2.565190259e-01 -5.613704268e-01 -6.974287771e-01 4.24 -2.429883796e-01 -5.397276355e-01 -6.753022892e-01 4.26 -2.299781887e-01 -5.185987731e-01 -6.537758081e-01 4.28 -2.174567734e-01 -4.980057630e-01 -6.328370418e-01 4.30 -2.053924873e-01 -4.779739995e-01 -6.124724168e-01 4.32 -1.937562103e-01 -4.585307608e-01 -5.926671909e-01 4.34 -1.825234874e-01 -4.397032304e-01 -5.734055542e-01 4.36 -1.716761504e-01 -4.215163081e-01 -5.546707166e-01 4.38 -1.612033127e-01 -4.039904415e-01 -5.364449822e-01 4.40 -1.511016682e-01 -3.871397197e-01 -5.187098092e-01 4.42 -1.413750809e-01 -3.709704357e-01 -5.014458590e-01 4.44 -1.320335044e-01 -3.554802571e-01 -4.846330344e-01 4.46 -1.230913334e-01 -3.406580524e-01 -4.682505119e-01 4.48 -1.145653484e-01 -3.264843297e-01 -4.522767701e-01 4.50 -1.064724629e-01 -3.129321734e-01 -4.366896202e-01 4.52 -9.882750869e-02 -2.999685223e-01 -4.214662418e-01 4.54 -9.164128755e-02 -2.875556220e-01 -4.065832316e-01 4.56 -8.491907691e-02 -2.756525030e-01 -3.920166720e-01 4.58 -7.865971031e-02 -2.642163713e-01 -3.777396965e-01 4.60 -7.285527095e-02 -2.532038378e-01 -3.637331516e-01 4.62 -6.749135862e-02 -2.425719562e-01 -3.499692985e-01 4.64 -6.254782716e-02 -2.322790672e-01 -3.364235469e-01 4.66 -5.799985202e-02 -2.222854738e-01 -3.230717380e-01 4.68 -5.381918099e-02 -2.125539839e-01 -3.098905282e-01 4.70 -4.997542923e-02 -2.030503595e-01 -2.968578598e-01 4.72 -4.643724145e-02 -1.937437120e-01 -2.839535230e-01 4.74 -4.317337981e-02 -1.846068770e-01 -2.711598097e-01 4.76 -4.015401318e-02 -1.756167872e-01 -2.584622508e-01 4.78 -3.735106862e-02 -1.667548551e-01 -2.458504164e-01 4.80 -3.473876929e-02 -1.580073597e-01 -2.333187495e-01 4.82 -3.229402353e-02 -1.493658171e-01 -2.208673842e-01 4.84 -2.999665546e-02 -1.408273029e-01 -2.085028873e-01 4.86 -2.782950353e-02 -1.323946795e-01 -1.962388476e-01 4.88 -2.577840843e-02 -1.240766770e-01 -1.840962282e-01 4.90 -2.383210743e-02 -1.158877703e-01 -1.721033965e-01 4.92 -2.198204751e-02 -1.078478051e-01 -1.602957569e-01 4.94 -2.022212762e-02 -9.998133831e-02 -1.487149337e-01 4.96 -1.854829320e-02 -9.231668252e-02 -1.374074913e-01 4.98 -1.695811207e-02 -8.488467827e-02 -1.264232228e-01 5.00 -1.545084524e-02 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