# 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 = NiPt3 # 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 1.253609428e+03 nan nan 0.88 1.134863157e+03 nan nan 0.90 1.028353200e+03 nan nan 0.92 9.327096532e+02 nan nan 0.94 8.467290942e+02 nan nan 0.96 7.693556087e+02 1.131135465e+03 1.279011258e+03 0.98 6.996597526e+02 1.033133777e+03 1.170356154e+03 1.00 6.368149344e+02 9.443690116e+02 1.071744286e+03 1.02 5.800982846e+02 8.638988328e+02 9.821638647e+02 1.04 5.288629693e+02 7.908881309e+02 9.007081272e+02 1.06 4.825365276e+02 7.245902517e+02 8.265830479e+02 1.08 4.406070167e+02 6.643369649e+02 7.590699803e+02 1.10 4.026236255e+02 6.095368178e+02 6.975340116e+02 1.12 3.681804461e+02 5.596528931e+02 6.414042388e+02 1.14 3.369192295e+02 5.142062067e+02 5.901669010e+02 1.16 3.085178250e+02 4.727725374e+02 5.433615100e+02 1.18 2.826887505e+02 4.349671660e+02 5.005743342e+02 1.20 2.591749552e+02 4.004423812e+02 4.614332286e+02 1.22 2.377451753e+02 3.688850491e+02 4.256001010e+02 1.24 2.181953203e+02 3.400178932e+02 3.927707795e+02 1.26 2.003421392e+02 3.135884401e+02 3.626737627e+02 1.28 1.840204307e+02 2.893693492e+02 3.350602045e+02 1.30 1.690818028e+02 2.671541090e+02 3.097046969e+02 1.32 1.553956693e+02 2.467591980e+02 2.864053696e+02 1.34 1.428438669e+02 2.280182161e+02 2.649794841e+02 1.36 1.313194824e+02 2.107821773e+02 2.452605332e+02 1.38 1.207262991e+02 1.949155721e+02 2.270964703e+02 1.40 1.109797013e+02 1.802956744e+02 2.103502761e+02 1.42 1.020031523e+02 1.668119019e+02 1.948998231e+02 1.44 9.372791831e+01 1.543649531e+02 1.806333786e+02 1.46 8.609072833e+01 1.428645565e+02 1.674493722e+02 1.48 7.903525087e+01 1.322287708e+02 1.552542334e+02 1.50 7.251268604e+01 1.223839278e+02 1.439642889e+02 1.52 6.647759768e+01 1.132636407e+02 1.335045655e+02 1.54 6.088899553e+01 1.048069980e+02 1.238051036e+02 1.56 5.570980045e+01 9.695866203e+01 1.148044112e+02 1.58 5.090651365e+01 8.966923138e+01 1.064454418e+02 1.60 4.644774687e+01 8.289444528e+01 9.867631991e+01 1.62 4.230707770e+01 7.659356434e+01 9.144967896e+01 1.64 3.845950682e+01 7.072893506e+01 8.472284628e+01 1.66 3.488229595e+01 6.526658662e+01 7.845676070e+01 1.68 3.155473896e+01 6.017563442e+01 7.261583367e+01 1.70 2.845786941e+01 5.542774829e+01 6.716751605e+01 1.72 2.557406071e+01 5.099644937e+01 6.208189741e+01 1.74 2.289291990e+01 4.685935262e+01 5.733219153e+01 1.76 2.038670782e+01 4.299492775e+01 5.289363795e+01 1.78 1.807125575e+01 3.938291018e+01 4.874295076e+01 1.80 1.591725054e+01 3.600555178e+01 4.485973061e+01 1.82 1.391602262e+01 3.284654345e+01 4.122537384e+01 1.84 1.205953381e+01 2.989063098e+01 3.782248277e+01 1.86 1.034007784e+01 2.712378892e+01 3.463463515e+01 1.88 8.750202455e+00 2.453563086e+01 3.164706672e+01 1.90 7.282678367e+00 2.212058500e+01 2.884616023e+01 1.92 5.930673194e+00 1.984686916e+01 2.621935326e+01 1.94 4.687530458e+00 1.773656549e+01 2.375791050e+01 1.96 3.546740176e+00 1.576311011e+01 2.143976149e+01 1.98 2.502147734e+00 1.391988458e+01 1.928816938e+01 2.00 1.548556575e+00 1.220050340e+01 1.727085896e+01 2.02 6.799286743e-01 1.059880062e+01 1.538057065e+01 2.04 -1.090563199e-01 9.108821265e+00 1.361206180e+01 2.06 -8.234822141e-01 7.724595214e+00 1.195963446e+01 2.08 -1.468201270e+00 6.440407419e+00 1.041761454e+01 2.10 -2.047908077e+00 5.251144623e+00 8.980522228e+00 2.12 -2.566695685e+00 4.151413816e+00 7.643066367e+00 2.14 -3.028662263e+00 3.136502308e+00 6.400140738e+00 2.16 -3.438114326e+00 2.202055189e+00 5.246820490e+00 2.18 -3.798843451e+00 1.343748230e+00 4.178214833e+00 2.20 -4.114375486e+00 5.566054925e-01 3.189794362e+00 2.22 -4.387980414e+00 -1.635508089e-01 2.277450453e+00 2.24 -4.623121355e+00 -8.207209736e-01 1.437158038e+00 2.26 -4.822840409e+00 -1.418731427e+00 6.643393791e-01 2.28 -4.990453118e+00 -1.961238719e+00 -4.485306714e-02 2.30 -5.128221660e+00 -2.451363482e+00 -6.941075974e-01 2.32 -5.238801430e+00 -2.892560815e+00 -1.286956164e+00 2.34 -5.324654421e+00 -3.288203404e+00 -1.826777694e+00 2.36 -5.387334352e+00 -3.641323207e+00 -2.316541365e+00 2.38 -5.429260393e+00 -3.954803726e+00 -2.759489242e+00 2.40 -5.452818848e+00 -4.231308506e+00 -3.159046160e+00 2.42 -5.459673259e+00 -4.473495104e+00 -3.517842031e+00 2.44 -5.451375972e+00 -4.683894040e+00 -3.838277308e+00 2.46 -5.429498359e+00 -4.864830534e+00 -4.122877276e+00 2.48 -5.395498134e+00 -5.018508477e+00 -4.373859930e+00 2.50 -5.350721821e+00 -5.147009066e+00 -4.593795770e+00 2.52 -5.296410682e+00 -5.252740621e+00 -4.784866455e+00 2.54 -5.233706576e+00 -5.337351822e+00 -4.949142699e+00 2.56 -5.163655209e+00 -5.402095467e+00 -5.088585605e+00 2.58 -5.087012224e+00 -5.448374008e+00 -5.205050436e+00 2.60 -5.004562085e+00 -5.478239757e+00 -5.300290317e+00 2.62 -4.917437351e+00 -5.493136419e+00 -5.375961852e+00 2.64 -4.826365043e+00 -5.494415327e+00 -5.433067595e+00 2.66 -4.732289307e+00 -5.483585113e+00 -5.473814327e+00 2.68 -4.636398475e+00 -5.461808870e+00 -5.499787368e+00 2.70 -4.537647290e+00 -5.429931781e+00 -5.511897500e+00 2.72 -4.435334473e+00 -5.388974310e+00 -5.511359729e+00 2.74 -4.331961025e+00 -5.339884245e+00 -5.499311660e+00 2.76 -4.227868363e+00 -5.283546023e+00 -5.476820118e+00 2.78 -4.123503638e+00 -5.221763379e+00 -5.445261550e+00 2.80 -4.019204635e+00 -5.154879769e+00 -5.405691999e+00 2.82 -3.915115482e+00 -5.082455317e+00 -5.358434667e+00 2.84 -3.812122267e+00 -5.005605281e+00 -5.304292339e+00 2.86 -3.710903798e+00 -4.924940025e+00 -5.244005966e+00 2.88 -3.610447746e+00 -4.841002113e+00 -5.178210619e+00 2.90 -3.510931793e+00 -4.754289313e+00 -5.107176455e+00 2.92 -3.412512096e+00 -4.665284987e+00 -5.031944217e+00 2.94 -3.315326212e+00 -4.573412004e+00 -4.953050951e+00 2.96 -3.219708186e+00 -4.478917137e+00 -4.870997226e+00 2.98 -3.125530973e+00 -4.383431586e+00 -4.786243991e+00 3.00 -3.032883586e+00 -4.287204020e+00 -4.699239013e+00 3.02 -2.941841554e+00 -4.190520789e+00 -4.609805653e+00 3.04 -2.852468282e+00 -4.093637815e+00 -4.517116421e+00 3.06 -2.764816174e+00 -3.996786137e+00 -4.423360099e+00 3.08 -2.678927378e+00 -3.900173889e+00 -4.330659191e+00 3.10 -2.594835058e+00 -3.803988097e+00 -4.237339750e+00 3.12 -2.512564862e+00 -3.708396378e+00 -4.143650169e+00 3.14 -2.432134260e+00 -3.613548508e+00 -4.049816223e+00 3.16 -2.353554260e+00 -3.519577890e+00 -3.956042721e+00 3.18 -2.276825535e+00 -3.426602883e+00 -3.862515061e+00 3.20 -2.201978213e+00 -3.334728052e+00 -3.769400697e+00 3.22 -2.128978558e+00 -3.244045333e+00 -3.676850495e+00 3.24 -2.057666960e+00 -3.154627054e+00 -3.584999990e+00 3.26 -1.988094222e+00 -3.067514543e+00 -3.493970563e+00 3.28 -1.920345413e+00 -2.982095185e+00 -3.403870538e+00 3.30 -1.854202202e+00 -2.898055853e+00 -3.314796205e+00 3.32 -1.789484597e+00 -2.815444698e+00 -3.226832793e+00 3.34 -1.726309849e+00 -2.734302029e+00 -3.140055341e+00 3.36 -1.664873893e+00 -2.654661147e+00 -3.054529432e+00 3.38 -1.605247559e+00 -2.576549588e+00 -2.970312709e+00 3.40 -1.547357661e+00 -2.499988139e+00 -2.887503791e+00 3.42 -1.491151872e+00 -2.424993233e+00 -2.806225718e+00 3.44 -1.436583272e+00 -2.351575048e+00 -2.726372703e+00 3.46 -1.383615361e+00 -2.279735761e+00 -2.647976939e+00 3.48 -1.332224355e+00 -2.209512863e+00 -2.571062607e+00 3.50 -1.282383677e+00 -2.140869813e+00 -2.495647896e+00 3.52 -1.234049857e+00 -2.073696049e+00 -2.421747662e+00 3.54 -1.187168003e+00 -2.008001838e+00 -2.349368744e+00 3.56 -1.141723773e+00 -1.943791335e+00 -2.278518076e+00 3.58 -1.097687657e+00 -1.880970029e+00 -2.209227537e+00 3.60 -1.055039372e+00 -1.819477230e+00 -2.141454583e+00 3.62 -1.013684701e+00 -1.759372205e+00 -2.075080014e+00 3.64 -9.734957239e-01 -1.700730146e+00 -2.010143044e+00 3.66 -9.345484212e-01 -1.643590986e+00 -1.946718360e+00 3.68 -8.968125047e-01 -1.587962354e+00 -1.884649099e+00 3.70 -8.603487233e-01 -1.533831571e+00 -1.823772631e+00 3.72 -8.252323186e-01 -1.481159523e+00 -1.764141312e+00 3.74 -7.915106471e-01 -1.429913476e+00 -1.705925889e+00 3.76 -7.593310137e-01 -1.380068026e+00 -1.649695601e+00 3.78 -7.286349236e-01 -1.331604695e+00 -1.595211853e+00 3.80 -6.991854815e-01 -1.284490563e+00 -1.542136473e+00 3.82 -6.708041969e-01 -1.238684319e+00 -1.490437851e+00 3.84 -6.431869111e-01 -1.194173468e+00 -1.440086796e+00 3.86 -6.161089757e-01 -1.150937849e+00 -1.391060764e+00 3.88 -5.894188043e-01 -1.108961058e+00 -1.343345544e+00 3.90 -5.630214970e-01 -1.068163241e+00 -1.296928988e+00 3.92 -5.368654763e-01 -1.028457938e+00 -1.251775993e+00 3.94 -5.109316482e-01 -9.898954462e-01 -1.207842386e+00 3.96 -4.852246645e-01 -9.524907323e-01 -1.165119707e+00 3.98 -4.596999141e-01 -9.162333255e-01 -1.123601580e+00 4.00 -4.343957809e-01 -8.810931575e-01 -1.083267486e+00 4.02 -4.094281514e-01 -8.470885834e-01 -1.044078063e+00 4.04 -3.849425978e-01 -8.143330582e-01 -1.005875125e+00 4.06 -3.610976143e-01 -7.828772518e-01 -9.687005822e-01 4.08 -3.380098229e-01 -7.525702767e-01 -9.326187535e-01 4.10 -3.157618060e-01 -7.233031864e-01 -8.976443655e-01 4.12 -2.944086306e-01 -6.950204090e-01 -8.637479016e-01 4.14 -2.739832698e-01 -6.676320556e-01 -8.309867039e-01 4.16 -2.545010930e-01 -6.410883019e-01 -7.994081941e-01 4.18 -2.359635803e-01 -6.155275139e-01 -7.691774801e-01 4.20 -2.183613780e-01 -5.903877299e-01 -7.401699478e-01 4.22 -2.016768105e-01 -5.655770893e-01 -7.121708442e-01 4.24 -1.858859323e-01 -5.410377045e-01 -6.850252903e-01 4.26 -1.709602012e-01 -5.167232539e-01 -6.586795799e-01 4.28 -1.568725123e-01 -4.925802506e-01 -6.329588592e-01 4.30 -1.440647059e-01 -4.686841261e-01 -6.077010523e-01 4.32 -1.330047191e-01 -4.451133185e-01 -5.827940347e-01 4.34 -1.237062605e-01 -4.219331243e-01 -5.581652503e-01 4.36 -1.155558435e-01 -3.991747405e-01 -5.337730808e-01 4.38 -1.078567550e-01 -3.768644767e-01 -5.095997002e-01 4.40 -1.005869476e-01 -3.550937759e-01 -4.856222517e-01 4.42 -9.372490309e-02 -3.339586103e-01 -4.617891363e-01 4.44 -8.724973649e-02 -3.135290640e-01 -4.382159495e-01 4.46 -8.114127018e-02 -2.938539390e-01 -4.150149649e-01 4.48 -7.538008455e-02 -2.749646337e-01 -3.922696337e-01 4.50 -6.994754931e-02 -2.568784101e-01 -3.700187275e-01 4.52 -6.482583945e-02 -2.396011350e-01 -3.483583704e-01 4.54 -5.999793921e-02 -2.231295750e-01 -3.273716887e-01 4.56 -5.544763654e-02 -2.074533140e-01 -3.071183578e-01 4.58 -5.115951035e-02 -1.925594316e-01 -2.876387836e-01 4.60 -4.711891216e-02 -1.790708801e-01 -2.689576334e-01 4.62 -4.331194365e-02 -1.669013432e-01 -2.510868098e-01 4.64 -3.972543145e-02 -1.553596372e-01 -2.340279471e-01 4.66 -3.634689980e-02 -1.444220463e-01 -2.177745057e-01 4.68 -3.316454208e-02 -1.340641839e-01 -2.023135182e-01 4.70 -3.016719168e-02 -1.242613530e-01 -1.876270437e-01 4.72 -2.734429275e-02 -1.149888374e-01 -1.736933746e-01 4.74 -2.467718130e-02 -1.062221343e-01 -1.604880321e-01 4.76 -2.296523374e-02 -9.793713774e-02 -1.479845858e-01 4.78 -2.135560086e-02 -9.011530138e-02 -1.361629736e-01 4.80 -1.983295939e-02 -8.276005911e-02 -1.250349367e-01 4.82 -1.839278373e-02 -7.661580287e-02 -1.157406812e-01 4.84 -1.703077006e-02 -7.084764194e-02 -1.070107530e-01 4.86 -1.574282656e-02 -6.540395847e-02 -9.876888208e-02 4.88 -1.452506406e-02 -6.026545380e-02 -9.098752307e-02 4.90 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-7.129090170e-03 5.26 -7.563900573e-04 -3.070845660e-03 -4.608565784e-03 5.28 -3.674965697e-04 -1.490625740e-03 -2.236484579e-03 5.30 -7.181336731e-16 -2.332322506e-15 -2.715698959e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 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