# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Wu-H-H-Trinkle-D-R--Cu-Ag # implementation = 2009--Wu-H-H--Cu-Ag--LAMMPS--ipr1 # composition = AgCu3 # 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 1.367653100e+02 nan nan 0.96 1.227881400e+02 nan nan 0.98 1.104495994e+02 nan nan 1.00 9.952219639e+01 nan nan 1.02 8.981068613e+01 nan nan 1.04 8.115997511e+01 1.260479946e+02 nan 1.06 7.344016175e+01 1.137162722e+02 1.341369838e+02 1.08 6.653674197e+01 1.027838375e+02 1.217429158e+02 1.10 6.035059302e+01 9.310937852e+01 1.105921467e+02 1.12 5.481159007e+01 8.453658554e+01 1.005445290e+02 1.14 4.990326529e+01 7.692141475e+01 9.147023790e+01 1.16 4.556727127e+01 7.014752810e+01 8.325291745e+01 1.18 4.173508972e+01 6.411667728e+01 7.588573713e+01 1.20 3.834201237e+01 5.874053435e+01 6.932553134e+01 1.22 3.532906709e+01 5.393714332e+01 6.348727397e+01 1.24 3.264664717e+01 4.963646491e+01 5.827946452e+01 1.26 3.025287145e+01 4.578212222e+01 5.361939471e+01 1.28 2.811251688e+01 4.232483248e+01 4.943966400e+01 1.30 2.619694534e+01 3.921923735e+01 4.568324623e+01 1.32 2.448260740e+01 3.642406547e+01 4.230125927e+01 1.34 2.294693039e+01 3.390639419e+01 3.925095433e+01 1.36 2.156966956e+01 3.163922578e+01 3.649302155e+01 1.38 2.033193894e+01 2.959746335e+01 3.399337428e+01 1.40 1.921563621e+01 2.775605698e+01 3.172354050e+01 1.42 1.820123030e+01 2.609098891e+01 2.965912553e+01 1.44 1.719589366e+01 2.458066911e+01 2.778050711e+01 1.46 1.616972294e+01 2.320561019e+01 2.607085845e+01 1.48 1.513744157e+01 2.194830820e+01 2.451495799e+01 1.50 1.411051850e+01 2.079368021e+01 2.309777980e+01 1.52 1.309730842e+01 1.972782535e+01 2.180651044e+01 1.54 1.210425941e+01 1.873901035e+01 2.062949615e+01 1.56 1.113575344e+01 1.778964519e+01 1.955623521e+01 1.58 1.019422530e+01 1.681291265e+01 1.857754317e+01 1.60 9.280276466e+00 1.582055230e+01 1.767108338e+01 1.62 8.394217020e+00 1.482470273e+01 1.676567782e+01 1.64 7.536566890e+00 1.383431493e+01 1.585818702e+01 1.66 6.707958814e+00 1.285602269e+01 1.495421313e+01 1.68 5.908975981e+00 1.189400827e+01 1.405819137e+01 1.70 5.139152173e+00 1.095060686e+01 1.317393634e+01 1.72 4.397415363e+00 1.002698920e+01 1.230478666e+01 1.74 3.682008341e+00 9.125023230e+00 1.145299718e+01 1.76 2.991241851e+00 8.256475922e+00 1.061930475e+01 1.78 2.323452768e+00 7.425785924e+00 9.804479357e+00 1.80 1.682967707e+00 6.633899329e+00 9.009248768e+00 1.82 1.090568690e+00 5.880808387e+00 8.234253715e+00 1.84 5.497598103e-01 5.164906588e+00 7.479636538e+00 1.86 6.048959124e-02 4.484271891e+00 6.745190757e+00 1.88 -3.794383561e-01 3.836221266e+00 6.030629809e+00 1.90 -7.738827340e-01 3.218712365e+00 5.335715512e+00 1.92 -1.126491457e+00 2.629756552e+00 4.660281487e+00 1.94 -1.442185067e+00 2.067299653e+00 4.004114788e+00 1.96 -1.724458402e+00 1.529581972e+00 3.366401304e+00 1.98 -1.976465556e+00 1.015419977e+00 2.745855447e+00 2.00 -2.200991267e+00 5.236940710e-01 2.140905306e+00 2.02 -2.400531031e+00 6.223680394e-02 1.563312109e+00 2.04 -2.577082176e+00 -3.624816378e-01 1.023418738e+00 2.06 -2.732649553e+00 -7.504018620e-01 5.229600029e-01 2.08 -2.868998495e+00 -1.102310357e+00 6.260390966e-02 2.10 -2.987752311e+00 -1.419766497e+00 -3.583200151e-01 2.12 -3.090175381e+00 -1.705345395e+00 -7.419215356e-01 2.14 -3.177626683e+00 -1.961172684e+00 -1.089869365e+00 2.16 -3.251362916e+00 -2.189986489e+00 -1.405308732e+00 2.18 -3.312662660e+00 -2.393753150e+00 -1.690727547e+00 2.20 -3.362682571e+00 -2.574123111e+00 -1.948379016e+00 2.22 -3.402231725e+00 -2.732670055e+00 -2.180218530e+00 2.24 -3.432161686e+00 -2.871141198e+00 -2.388263519e+00 2.26 -3.453313519e+00 -2.991163980e+00 -2.574250420e+00 2.28 -3.466540080e+00 -3.094297740e+00 -2.739547344e+00 2.30 -3.472681119e+00 -3.182167903e+00 -2.885680838e+00 2.32 -3.472505175e+00 -3.256185312e+00 -3.014126261e+00 2.34 -3.466724428e+00 -3.317705683e+00 -3.126584076e+00 2.36 -3.455874588e+00 -3.367800227e+00 -3.224520512e+00 2.38 -3.440301461e+00 -3.407505329e+00 -3.309377380e+00 2.40 -3.420379239e+00 -3.437677741e+00 -3.382308520e+00 2.42 -3.396511846e+00 -3.459194513e+00 -3.444299422e+00 2.44 -3.369047562e+00 -3.472925875e+00 -3.496170342e+00 2.46 -3.338303652e+00 -3.479693575e+00 -3.538646806e+00 2.48 -3.304580940e+00 -3.480214949e+00 -3.572260388e+00 2.50 -3.268187546e+00 -3.475239363e+00 -3.597607365e+00 2.52 -3.229512560e+00 -3.465394461e+00 -3.615120823e+00 2.54 -3.188900954e+00 -3.451222251e+00 -3.625174635e+00 2.56 -3.146670165e+00 -3.433200217e+00 -3.628269115e+00 2.58 -3.103098083e+00 -3.411670855e+00 -3.624905394e+00 2.60 -3.058420604e+00 -3.387039018e+00 -3.615676724e+00 2.62 -3.012821501e+00 -3.359753019e+00 -3.601094752e+00 2.64 -2.966441331e+00 -3.330279872e+00 -3.581649394e+00 2.66 -2.919391042e+00 -3.298874693e+00 -3.557703909e+00 2.68 -2.871740968e+00 -3.265852564e+00 -3.529644868e+00 2.70 -2.823577809e+00 -3.231528701e+00 -3.497897173e+00 2.72 -2.775070637e+00 -3.196198063e+00 -3.462891038e+00 2.74 -2.726284838e+00 -3.160152639e+00 -3.425075266e+00 2.76 -2.677331635e+00 -3.123639056e+00 -3.384878710e+00 2.78 -2.628354305e+00 -3.086886903e+00 -3.342743477e+00 2.80 -2.579501692e+00 -3.050074820e+00 -3.299087673e+00 2.82 -2.530856690e+00 -3.013284387e+00 -3.254324766e+00 2.84 -2.482467228e+00 -2.976527387e+00 -3.208823329e+00 2.86 -2.434396187e+00 -2.939807926e+00 -3.162883407e+00 2.88 -2.386669335e+00 -2.903131196e+00 -3.116745455e+00 2.90 -2.339296571e+00 -2.866464967e+00 -3.070593172e+00 2.92 -2.292288761e+00 -2.829803688e+00 -3.024506694e+00 2.94 -2.245661484e+00 -2.793072377e+00 -2.978513387e+00 2.96 -2.199435940e+00 -2.756229883e+00 -2.932648755e+00 2.98 -2.153642045e+00 -2.719212031e+00 -2.886960202e+00 3.00 -2.108252166e+00 -2.682003570e+00 -2.841534867e+00 3.02 -2.063275458e+00 -2.644641546e+00 -2.796482992e+00 3.04 -2.018745294e+00 -2.607159479e+00 -2.751988809e+00 3.06 -1.974659136e+00 -2.569491275e+00 -2.708078566e+00 3.08 -1.931043753e+00 -2.531588641e+00 -2.664790686e+00 3.10 -1.887883225e+00 -2.493400148e+00 -2.622150164e+00 3.12 -1.845253445e+00 -2.454884732e+00 -2.580100036e+00 3.14 -1.803144106e+00 -2.416020481e+00 -2.538568566e+00 3.16 -1.761531932e+00 -2.376805951e+00 -2.497478636e+00 3.18 -1.720516000e+00 -2.337280164e+00 -2.456770073e+00 3.20 -1.680025403e+00 -2.297485645e+00 -2.416391225e+00 3.22 -1.640170554e+00 -2.257463481e+00 -2.376295116e+00 3.24 -1.600881276e+00 -2.217245619e+00 -2.336432896e+00 3.26 -1.562255544e+00 -2.176879917e+00 -2.296754200e+00 3.28 -1.524167545e+00 -2.136394949e+00 -2.257206181e+00 3.30 -1.486755617e+00 -2.095840573e+00 -2.217768658e+00 3.32 -1.449833512e+00 -2.055234392e+00 -2.178472465e+00 3.34 -1.413545600e+00 -2.014601272e+00 -2.139306935e+00 3.36 -1.377746037e+00 -1.974020821e+00 -2.100309703e+00 3.38 -1.342490294e+00 -1.933523629e+00 -2.061451057e+00 3.40 -1.307798864e+00 -1.893175868e+00 -2.022792050e+00 3.42 -1.273541447e+00 -1.853037640e+00 -1.984338706e+00 3.44 -1.239826889e+00 -1.813120668e+00 -1.946083047e+00 3.46 -1.206627442e+00 -1.773522564e+00 -1.908058313e+00 3.48 -1.173859903e+00 -1.734214476e+00 -1.870312768e+00 3.50 -1.141589556e+00 -1.695287369e+00 -1.832808185e+00 3.52 -1.109825292e+00 -1.656703554e+00 -1.795644168e+00 3.54 -1.078486920e+00 -1.618545437e+00 -1.758763939e+00 3.56 -1.047572275e+00 -1.580750554e+00 -1.722242574e+00 3.58 -1.017108306e+00 -1.543391583e+00 -1.686030550e+00 3.60 -9.870979460e-01 -1.506434177e+00 -1.650200816e+00 3.62 -9.574971485e-01 -1.469884290e+00 -1.614703046e+00 3.64 -9.283166508e-01 -1.433819035e+00 -1.579648279e+00 3.66 -8.996060200e-01 -1.398126043e+00 -1.544910348e+00 3.68 -8.713920327e-01 -1.362932280e+00 -1.510662863e+00 3.70 -8.436588568e-01 -1.328216557e+00 -1.476775606e+00 3.72 -8.163879418e-01 -1.293926509e+00 -1.443342358e+00 3.74 -7.895702368e-01 -1.260155812e+00 -1.410374339e+00 3.76 -7.632508947e-01 -1.226887389e+00 -1.377765453e+00 3.78 -7.374454751e-01 -1.194075388e+00 -1.345624034e+00 3.80 -7.121496590e-01 -1.161765977e+00 -1.313925074e+00 3.82 -6.873509357e-01 -1.129979843e+00 -1.282580999e+00 3.84 -6.630349838e-01 -1.098689456e+00 -1.251688227e+00 3.86 -6.391889392e-01 -1.067869753e+00 -1.221244420e+00 3.88 -6.158397782e-01 -1.037550814e+00 -1.191152635e+00 3.90 -5.930066604e-01 -1.007748015e+00 -1.161491978e+00 3.92 -5.706834569e-01 -9.784394402e-01 -1.132287048e+00 3.94 -5.488679286e-01 -9.495905007e-01 -1.103505774e+00 3.96 -5.275600312e-01 -9.212048991e-01 -1.075112916e+00 3.98 -5.067561797e-01 -8.932994781e-01 -1.047140952e+00 4.00 -4.864420684e-01 -8.658711693e-01 -1.019600335e+00 4.02 -4.666011876e-01 -8.389054572e-01 -9.924813217e-01 4.04 -4.472395117e-01 -8.123809120e-01 -9.657420695e-01 4.06 -4.283676096e-01 -7.862985032e-01 -9.393898400e-01 4.08 -4.099837291e-01 -7.606827231e-01 -9.134536889e-01 4.10 -3.920786076e-01 -7.355604200e-01 -8.879453838e-01 4.12 -3.746477209e-01 -7.109293762e-01 -8.628571695e-01 4.14 -3.576865787e-01 -6.867847018e-01 -8.381639545e-01 4.16 -3.411965289e-01 -6.631158069e-01 -8.138492604e-01 4.18 -3.251789253e-01 -6.399173901e-01 -7.899170597e-01 4.20 -3.096345225e-01 -6.171962213e-01 -7.663976158e-01 4.22 -2.945598329e-01 -5.949736092e-01 -7.432922017e-01 4.24 -2.799489864e-01 -5.732623593e-01 -7.205951182e-01 4.26 -2.658094039e-01 -5.520637410e-01 -6.982980154e-01 4.28 -2.521298278e-01 -5.313768979e-01 -6.763873862e-01 4.30 -2.388842307e-01 -5.112034850e-01 -6.548472548e-01 4.32 -2.260182591e-01 -4.915445030e-01 -6.336863944e-01 4.34 -2.134889571e-01 -4.723985711e-01 -6.129252553e-01 4.36 -2.012514322e-01 -4.537608805e-01 -5.925628794e-01 4.38 -1.893378585e-01 -4.356308272e-01 -5.725916732e-01 4.40 -1.778081112e-01 -4.180158751e-01 -5.530041966e-01 4.42 -1.667381187e-01 -4.009250101e-01 -5.338009593e-01 4.44 -1.561943545e-01 -3.843550385e-01 -5.149757684e-01 4.46 -1.462309719e-01 -3.683002057e-01 -4.965189713e-01 4.48 -1.368862103e-01 -3.527520953e-01 -4.784159010e-01 4.50 -1.281400587e-01 -3.377015334e-01 -4.606613817e-01 4.52 -1.199400536e-01 -3.231375119e-01 -4.432620202e-01 4.54 -1.122426551e-01 -3.090451928e-01 -4.262226001e-01 4.56 -1.050012539e-01 -2.954064690e-01 -4.095408119e-01 4.58 -9.816746740e-02 -2.822028068e-01 -3.932092551e-01 4.60 -9.173233294e-02 -2.694207948e-01 -3.772240045e-01 4.62 -8.569272511e-02 -2.570626127e-01 -3.615782901e-01 4.64 -8.004833784e-02 -2.450967986e-01 -3.462688941e-01 4.66 -7.480001578e-02 -2.334827133e-01 -3.312926507e-01 4.68 -6.994842242e-02 -2.221997561e-01 -3.166474654e-01 4.70 -6.549330630e-02 -2.112299517e-01 -3.023309439e-01 4.72 -6.143323762e-02 -2.005759889e-01 -2.883407102e-01 4.74 -5.776569488e-02 -1.902426153e-01 -2.746739747e-01 4.76 -5.448728653e-02 -1.802247177e-01 -2.613431311e-01 4.78 -5.160277719e-02 -1.705464349e-01 -2.483456784e-01 4.80 -4.912837624e-02 -1.612253893e-01 -2.356876162e-01 4.82 -4.702496232e-02 -1.522855809e-01 -2.233330511e-01 4.84 -4.525088985e-02 -1.437716045e-01 -2.112502487e-01 4.86 -4.376728944e-02 -1.357153411e-01 -1.994097272e-01 4.88 -4.253777136e-02 -1.281374818e-01 -1.877948953e-01 4.90 -4.152826507e-02 -1.210490419e-01 -1.764767405e-01 4.92 -4.070699432e-02 -1.144526062e-01 -1.655583656e-01 4.94 -4.004456093e-02 -1.083517538e-01 -1.551283772e-01 4.96 -3.951406398e-02 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