# 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 = Ag3Cu # 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 4.371628850e+02 nan nan 1.02 4.003426446e+02 nan nan 1.04 3.667997772e+02 nan nan 1.06 3.362092844e+02 nan nan 1.08 3.082848481e+02 nan nan 1.10 2.827715517e+02 4.202372755e+02 nan 1.12 2.594409829e+02 3.876328494e+02 4.400475507e+02 1.14 2.380887934e+02 3.576973456e+02 4.067452597e+02 1.16 2.185325960e+02 3.301910572e+02 3.761040221e+02 1.18 2.006100227e+02 3.048950534e+02 3.478859566e+02 1.20 1.841762764e+02 2.816112219e+02 3.218787419e+02 1.22 1.691009483e+02 2.601613079e+02 2.978930574e+02 1.24 1.552658695e+02 2.403858399e+02 2.757586879e+02 1.26 1.425638473e+02 2.221433250e+02 2.553216402e+02 1.28 1.308972273e+02 2.053080855e+02 2.364420457e+02 1.30 1.201764438e+02 1.897664128e+02 2.189921481e+02 1.32 1.103194115e+02 1.754134638e+02 2.028549370e+02 1.34 1.012513315e+02 1.621523566e+02 1.879237844e+02 1.36 9.290433156e+01 1.498944038e+02 1.741017300e+02 1.38 8.521720697e+01 1.385590007e+02 1.613000781e+02 1.40 7.813524965e+01 1.280729188e+02 1.494372599e+02 1.42 7.160972425e+01 1.183692995e+02 1.384386816e+02 1.44 6.559678564e+01 1.093866213e+02 1.282370241e+02 1.46 6.005615549e+01 1.010678835e+02 1.187719147e+02 1.48 5.495019153e+01 9.336034836e+01 1.099886301e+02 1.50 5.024366494e+01 8.621587858e+01 1.018367322e+02 1.52 4.590402114e+01 7.959106332e+01 9.426925855e+01 1.54 4.190160673e+01 7.344681490e+01 8.724257341e+01 1.56 3.820958817e+01 6.774750438e+01 8.071635278e+01 1.58 3.480356417e+01 6.246025422e+01 7.465350151e+01 1.60 3.166114253e+01 5.755463074e+01 6.901989067e+01 1.62 2.876159164e+01 5.300258356e+01 6.378410430e+01 1.64 2.608564621e+01 4.877830459e+01 5.891711307e+01 1.66 2.361547750e+01 4.485797740e+01 5.439195876e+01 1.68 2.133670266e+01 4.121949931e+01 5.018352553e+01 1.70 1.923721053e+01 3.784231512e+01 4.626851810e+01 1.72 1.730332548e+01 3.470732809e+01 4.262561379e+01 1.74 1.552264353e+01 3.179681314e+01 3.923547290e+01 1.76 1.388378643e+01 2.909429937e+01 3.608054783e+01 1.78 1.237616965e+01 2.658448238e+01 3.314475488e+01 1.80 1.098988530e+01 2.425321975e+01 3.041318494e+01 1.82 9.715643984e+00 2.208789457e+01 2.787189246e+01 1.84 8.544761553e+00 2.007967394e+01 2.550782975e+01 1.86 7.469164979e+00 1.821830815e+01 2.330873919e+01 1.88 6.481408562e+00 1.649368597e+01 2.126414991e+01 1.90 5.574673765e+00 1.489640852e+01 1.936575780e+01 1.92 4.742741819e+00 1.341762430e+01 1.760331656e+01 1.94 3.979926669e+00 1.204895538e+01 1.596720108e+01 1.96 3.281017926e+00 1.078246740e+01 1.444853608e+01 1.98 2.641248276e+00 9.610719010e+00 1.303912708e+01 2.00 2.056270705e+00 8.526813565e+00 1.173138120e+01 2.02 1.522134496e+00 7.524435924e+00 1.051822597e+01 2.04 1.035236272e+00 6.597832553e+00 9.393082787e+00 2.06 5.922522285e-01 5.741756201e+00 8.349867272e+00 2.08 1.900671125e-01 4.951385083e+00 7.382983089e+00 2.10 -1.742832899e-01 4.222241471e+00 6.487314787e+00 2.12 -5.036619305e-01 3.550128163e+00 5.658179694e+00 2.14 -8.008316078e-01 2.931089644e+00 4.891268654e+00 2.16 -1.068463632e+00 2.361397798e+00 4.182574696e+00 2.18 -1.309115838e+00 1.837535783e+00 3.528301824e+00 2.20 -1.525199040e+00 1.356222485e+00 2.924822724e+00 2.22 -1.718950439e+00 9.144001526e-01 2.368623198e+00 2.24 -1.892405546e+00 5.092361480e-01 1.856306401e+00 2.26 -2.047380467e+00 1.381116182e-01 1.384629085e+00 2.28 -2.185467240e+00 -2.013978023e-01 9.505572584e-01 2.30 -2.308043524e+00 -5.115426403e-01 5.513150287e-01 2.32 -2.416302486e+00 -7.944264256e-01 1.844025412e-01 2.34 -2.511403350e+00 -1.052002625e+00 -1.524147984e-01 2.36 -2.594379204e+00 -1.286085451e+00 -4.611463903e-01 2.38 -2.665793855e+00 -1.498346009e+00 -7.436222796e-01 2.40 -2.726222803e+00 -1.690316077e+00 -1.001536506e+00 2.42 -2.776264557e+00 -1.863400844e+00 -1.236482153e+00 2.44 -2.816555034e+00 -2.018899045e+00 -1.449977786e+00 2.46 -2.847754243e+00 -2.158025552e+00 -1.643482392e+00 2.48 -2.870543122e+00 -2.281931404e+00 -1.818425711e+00 2.50 -2.885891489e+00 -2.391718482e+00 -1.976184583e+00 2.52 -2.894501436e+00 -2.488446394e+00 -2.118100795e+00 2.54 -2.896629930e+00 -2.573149401e+00 -2.245463974e+00 2.56 -2.892591563e+00 -2.647033896e+00 -2.359493872e+00 2.58 -2.882741238e+00 -2.710994436e+00 -2.461319970e+00 2.60 -2.867463988e+00 -2.765710350e+00 -2.551963220e+00 2.62 -2.847171386e+00 -2.811866910e+00 -2.632363901e+00 2.64 -2.822306272e+00 -2.850150106e+00 -2.703484416e+00 2.66 -2.793364692e+00 -2.881222590e+00 -2.765834701e+00 2.68 -2.760865966e+00 -2.905704841e+00 -2.819803285e+00 2.70 -2.725328057e+00 -2.924174709e+00 -2.865742276e+00 2.72 -2.687250793e+00 -2.937392382e+00 -2.903982732e+00 2.74 -2.647097160e+00 -2.945810493e+00 -2.934850202e+00 2.76 -2.605276333e+00 -2.949559628e+00 -2.958677968e+00 2.78 -2.562140863e+00 -2.948773023e+00 -2.975823008e+00 2.80 -2.517975082e+00 -2.943592853e+00 -2.986944719e+00 2.82 -2.473005835e+00 -2.934168783e+00 -2.992397048e+00 2.84 -2.427406247e+00 -2.920650336e+00 -2.992369827e+00 2.86 -2.381310134e+00 -2.903192184e+00 -2.987143754e+00 2.88 -2.334811862e+00 -2.881961086e+00 -2.977074415e+00 2.90 -2.287980447e+00 -2.857151004e+00 -2.962567503e+00 2.92 -2.240872871e+00 -2.828971079e+00 -2.944066428e+00 2.94 -2.193530892e+00 -2.797641973e+00 -2.922002113e+00 2.96 -2.145994646e+00 -2.763399142e+00 -2.896789579e+00 2.98 -2.098305075e+00 -2.726495502e+00 -2.868818015e+00 3.00 -2.050506841e+00 -2.687202964e+00 -2.838422077e+00 3.02 -2.002649834e+00 -2.645812088e+00 -2.805879270e+00 3.04 -1.954789518e+00 -2.602628962e+00 -2.771419031e+00 3.06 -1.906986445e+00 -2.557968621e+00 -2.735235042e+00 3.08 -1.859305235e+00 -2.512145081e+00 -2.697497499e+00 3.10 -1.811813344e+00 -2.465459057e+00 -2.658363049e+00 3.12 -1.764579809e+00 -2.418185393e+00 -2.617981214e+00 3.14 -1.717674084e+00 -2.370562571e+00 -2.576497135e+00 3.16 -1.671165006e+00 -2.322786234e+00 -2.534051219e+00 3.18 -1.625119841e+00 -2.275007600e+00 -2.490776738e+00 3.20 -1.579603356e+00 -2.227336406e+00 -2.446796694e+00 3.22 -1.534676898e+00 -2.179847165e+00 -2.402221123e+00 3.24 -1.490395913e+00 -2.132585376e+00 -2.357143294e+00 3.26 -1.446815630e+00 -2.085583184e+00 -2.311650125e+00 3.28 -1.403979898e+00 -2.038855176e+00 -2.265807901e+00 3.30 -1.361928002e+00 -1.992412959e+00 -2.219676587e+00 3.32 -1.320692356e+00 -1.946267690e+00 -2.173310225e+00 3.34 -1.280298446e+00 -1.900433372e+00 -2.126760438e+00 3.36 -1.240765026e+00 -1.854928811e+00 -2.080079580e+00 3.38 -1.202104543e+00 -1.809772395e+00 -2.033323362e+00 3.40 -1.164323712e+00 -1.765007290e+00 -1.986552850e+00 3.42 -1.127424185e+00 -1.720660443e+00 -1.939835842e+00 3.44 -1.091403229e+00 -1.676769615e+00 -1.893247601e+00 3.46 -1.056249644e+00 -1.633374151e+00 -1.846870920e+00 3.48 -1.021964059e+00 -1.590513273e+00 -1.800795424e+00 3.50 -9.885279886e-01 -1.548224457e+00 -1.755115981e+00 3.52 -9.559262146e-01 -1.506542024e+00 -1.709930190e+00 3.54 -9.241409572e-01 -1.465496022e+00 -1.665334976e+00 3.56 -8.931518552e-01 -1.425111437e+00 -1.621422579e+00 3.58 -8.629358774e-01 -1.385407747e+00 -1.578276354e+00 3.60 -8.334661495e-01 -1.346398808e+00 -1.535966958e+00 3.62 -8.047162984e-01 -1.308093060e+00 -1.494549457e+00 3.64 -7.766533926e-01 -1.270494022e+00 -1.454061737e+00 3.66 -7.492429701e-01 -1.233601062e+00 -1.414524355e+00 3.68 -7.224479243e-01 -1.197410398e+00 -1.375941715e+00 3.70 -6.962288938e-01 -1.161916280e+00 -1.338304227e+00 3.72 -6.705448674e-01 -1.127112286e+00 -1.301591088e+00 3.74 -6.453540217e-01 -1.092992627e+00 -1.265766718e+00 3.76 -6.206149202e-01 -1.059553317e+00 -1.230811059e+00 3.78 -5.962878173e-01 -1.026793072e+00 -1.196678938e+00 3.80 -5.723364271e-01 -9.947137743e-01 -1.163332679e+00 3.82 -5.487298212e-01 -9.633203866e-01 -1.130735746e+00 3.84 -5.254444847e-01 -9.326202827e-01 -1.098854021e+00 3.86 -5.024663642e-01 -9.026220374e-01 -1.067656665e+00 3.88 -4.797927129e-01 -8.733338384e-01 -1.037116590e+00 3.90 -4.574334986e-01 -8.447617547e-01 -1.007210589e+00 3.92 -4.354121352e-01 -8.169081266e-01 -9.779191744e-01 3.94 -4.137653292e-01 -7.897703096e-01 -9.492261846e-01 3.96 -3.925419182e-01 -7.633360186e-01 -9.211182185e-01 3.98 -3.718006957e-01 -7.375995050e-01 -8.935839641e-01 4.00 -3.516073524e-01 -7.125361420e-01 -8.666134843e-01 4.02 -3.320307825e-01 -6.881212493e-01 -8.401975194e-01 4.04 -3.131390789e-01 -6.643263122e-01 -8.143268530e-01 4.06 -2.949955581e-01 -6.411201350e-01 -7.889917800e-01 4.08 -2.776551276e-01 -6.184700400e-01 -7.641817040e-01 4.10 -2.611612477e-01 -5.963430543e-01 -7.398848783e-01 4.12 -2.455436737e-01 -5.747070583e-01 -7.160883029e-01 4.14 -2.308171006e-01 -5.535318931e-01 -6.927777771e-01 4.16 -2.169807695e-01 -5.327904282e-01 -6.699381101e-01 4.18 -2.040190275e-01 -5.124595857e-01 -6.475534838e-01 4.20 -1.919027586e-01 -4.925213019e-01 -6.256079614e-01 4.22 -1.805915286e-01 -4.729633805e-01 -6.040861301e-01 4.24 -1.700362288e-01 -4.537801781e-01 -5.829738551e-01 4.26 -1.601819719e-01 -4.349730401e-01 -5.622591145e-01 4.28 -1.509709976e-01 -4.165504080e-01 -5.419328656e-01 4.30 -1.423453792e-01 -3.985275273e-01 -5.219898754e-01 4.32 -1.342493718e-01 -3.809257177e-01 -5.024294320e-01 4.34 -1.266313032e-01 -3.637712065e-01 -4.832558377e-01 4.36 -1.194449553e-01 -3.470935772e-01 -4.644785824e-01 4.38 -1.126504267e-01 -3.309239291e-01 -4.461121080e-01 4.40 -1.062144940e-01 -3.152928803e-01 -4.281751039e-01 4.42 -1.001105114e-01 -3.002285616e-01 -4.106893274e-01 4.44 -9.431790276e-02 -2.857547513e-01 -3.936780030e-01 4.46 -8.882132065e-02 -2.718892819e-01 -3.771639254e-01 4.48 -8.360956053e-02 -2.586428227e-01 -3.611674441e-01 4.50 -7.867433611e-02 -2.460181094e-01 -3.457045399e-01 4.52 -7.400902831e-02 -2.340096489e-01 -3.307851975e-01 4.54 -6.960751957e-02 -2.226038942e-01 -3.164122414e-01 4.56 -6.546320939e-02 -2.117798392e-01 -3.025807339e-01 4.58 -6.156828054e-02 -2.015099607e-01 -2.892759876e-01 4.60 -5.791324985e-02 -1.917614076e-01 -2.764822955e-01 4.62 -5.448680197e-02 -1.824973319e-01 -2.641710411e-01 4.64 -5.127587282e-02 -1.736782633e-01 -2.523109185e-01 4.66 -4.826592732e-02 -1.652634415e-01 -2.408670057e-01 4.68 -4.544136972e-02 -1.572120460e-01 -2.298022454e-01 4.70 -4.278602165e-02 -1.494842884e-01 -2.190788895e-01 4.72 -4.028356198e-02 -1.420423515e-01 -2.086598520e-01 4.74 -3.791798949e-02 -1.348511825e-01 -1.985099390e-01 4.76 -3.567432726e-02 -1.278791507e-01 -1.885969477e-01 4.78 -3.353868934e-02 -1.210985918e-01 -1.788926367e-01 4.80 -3.149856527e-02 -1.144862509e-01 -1.693735698e-01 4.82 -2.954304963e-02 -1.080236347e-01 -1.600218319e-01 4.84 -2.766299729e-02 -1.016972708e-01 -1.508256065e-01 4.86 -2.585111002e-02 -9.549886269e-02 -1.417795870e-01 4.88 -2.410195824e-02 -8.942531844e-02 -1.328851893e-01 4.90 -2.241193950e-02 -8.347862823e-02 -1.241505220e-01 4.92 -2.077917447e-02 -7.766556263e-02 -1.155900741e-01 4.94 -1.920332560e-02 -7.199717184e-02 -1.072240875e-01 4.96 -1.768517936e-02 -6.648807925e-02 -9.907760728e-02 4.98 -1.622680802e-02 -6.115558115e-02 -9.117922496e-02 5.00 -1.483111321e-02 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