# 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-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au3Mg # 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 2024-04-11 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 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.658540741e+02 nan nan 1.16 4.290895908e+02 nan nan 1.18 3.953190037e+02 nan nan 1.20 3.642712167e+02 nan nan 1.22 3.357043273e+02 nan nan 1.24 3.094024502e+02 nan nan 1.26 2.851721300e+02 nan nan 1.28 2.628388158e+02 4.044843476e+02 4.623704314e+02 1.30 2.422434068e+02 3.751457282e+02 4.296024792e+02 1.32 2.232399734e+02 3.479749908e+02 3.992270695e+02 1.34 2.056953524e+02 3.227978608e+02 3.710513137e+02 1.36 1.894892726e+02 2.994562917e+02 3.448994208e+02 1.38 1.745133749e+02 2.778062492e+02 3.206120114e+02 1.40 1.606691755e+02 2.577158354e+02 2.980450728e+02 1.42 1.478662552e+02 2.390639927e+02 2.770680575e+02 1.44 1.360214031e+02 2.217398805e+02 2.575617564e+02 1.46 1.250582647e+02 2.056424207e+02 2.394165838e+02 1.48 1.149068005e+02 1.906794032e+02 2.225312618e+02 1.50 1.055025181e+02 1.767662591e+02 2.068118537e+02 1.52 9.678589891e+01 1.638250172e+02 1.921713322e+02 1.54 8.870219975e+01 1.517836130e+02 1.785295120e+02 1.56 8.120143866e+01 1.405753361e+02 1.658129391e+02 1.58 7.424059099e+01 1.301383166e+02 1.539545100e+02 1.60 6.781502488e+01 1.204151974e+02 1.428927949e+02 1.62 6.189610625e+01 1.113530337e+02 1.325712289e+02 1.64 5.644492160e+01 1.029032529e+02 1.229374556e+02 1.66 5.142580413e+01 9.502147134e+01 1.139429504e+02 1.68 4.680553895e+01 8.766711188e+01 1.055427871e+02 1.70 4.255309995e+01 8.080290750e+01 9.769537810e+01 1.72 3.863966305e+01 7.439570447e+01 9.036217742e+01 1.74 3.503866927e+01 6.844049272e+01 8.350743441e+01 1.76 3.172579514e+01 6.292039708e+01 7.709800489e+01 1.78 2.867877969e+01 5.780397808e+01 7.111241058e+01 1.80 2.587715177e+01 5.306221497e+01 6.555046559e+01 1.82 2.330194102e+01 4.866811596e+01 6.038403498e+01 1.84 2.093545244e+01 4.459646330e+01 5.558484815e+01 1.86 1.876114768e+01 4.082376944e+01 5.112699016e+01 1.88 1.676363538e+01 3.732828040e+01 4.698659013e+01 1.90 1.492872376e+01 3.408994390e+01 4.314158791e+01 1.92 1.324345850e+01 3.109031282e+01 3.957146976e+01 1.94 1.169608988e+01 2.831239718e+01 3.625704959e+01 1.96 1.027597246e+01 2.574049489e+01 3.318035292e+01 1.98 8.973431803e+00 2.336002813e+01 3.032458527e+01 2.00 7.779635205e+00 2.115741115e+01 2.767413325e+01 2.02 6.686482412e+00 1.911995753e+01 2.521454637e+01 2.04 5.686517190e+00 1.723582307e+01 2.293248027e+01 2.06 4.772850960e+00 1.549397077e+01 2.081560839e+01 2.08 3.939092300e+00 1.388414331e+01 1.885252032e+01 2.10 3.179278999e+00 1.239683092e+01 1.703263098e+01 2.12 2.487816270e+00 1.102323000e+01 1.534610822e+01 2.14 1.859428128e+00 9.755193265e+00 1.378381711e+01 2.16 1.289129555e+00 8.585174698e+00 1.233727079e+01 2.18 7.722228481e-01 7.506174728e+00 1.099857933e+01 2.20 3.043131375e-01 6.511692346e+00 9.760394404e+00 2.22 -1.186696745e-01 5.595685621e+00 8.615850291e+00 2.24 -5.004573978e-01 4.752543078e+00 7.558512179e+00 2.26 -8.444468492e-01 3.977062236e+00 6.582337006e+00 2.28 -1.153719579e+00 3.264430714e+00 5.681650777e+00 2.30 -1.431070892e+00 2.610204674e+00 4.851140758e+00 2.32 -1.679042564e+00 2.010283461e+00 4.085850818e+00 2.34 -1.899953880e+00 1.460879846e+00 3.381174582e+00 2.36 -2.095929250e+00 9.584890408e-01 2.732841371e+00 2.38 -2.268921484e+00 4.998581567e-01 2.136895605e+00 2.40 -2.420730039e+00 8.195790131e-02 1.589671853e+00 2.42 -2.553017769e+00 -2.980432304e-01 1.087768660e+00 2.44 -2.667325107e+00 -6.428009690e-01 6.280227147e-01 2.46 -2.765133094e+00 -9.548149545e-01 2.074846808e-01 2.48 -2.848018008e+00 -1.236444776e+00 -1.766022541e-01 2.50 -2.916953694e+00 -1.489922973e+00 -5.268207399e-01 2.52 -2.972816412e+00 -1.717365387e+00 -8.455911358e-01 2.54 -3.016478926e+00 -1.920779713e+00 -1.135179430e+00 2.56 -3.048800888e+00 -2.102072739e+00 -1.397699898e+00 2.58 -3.070625566e+00 -2.263055515e+00 -1.635116018e+00 2.60 -3.082783188e+00 -2.405444272e+00 -1.849242180e+00 2.62 -3.086079597e+00 -2.530854940e+00 -2.041748042e+00 2.64 -3.081307410e+00 -2.640791921e+00 -2.214166373e+00 2.66 -3.069275412e+00 -2.736633796e+00 -2.367903116e+00 2.68 -3.050802475e+00 -2.819755173e+00 -2.504249968e+00 2.70 -3.026699852e+00 -2.891289998e+00 -2.624397814e+00 2.72 -2.997747170e+00 -2.952060458e+00 -2.729450940e+00 2.74 -2.964668312e+00 -3.002715452e+00 -2.820441768e+00 2.76 -2.928113030e+00 -3.043868069e+00 -2.898426680e+00 2.78 -2.888647365e+00 -3.076101694e+00 -2.964502523e+00 2.80 -2.846753190e+00 -3.099974923e+00 -3.019345781e+00 2.82 -2.802833858e+00 -3.116023872e+00 -3.063642733e+00 2.84 -2.757224724e+00 -3.124756979e+00 -3.098122904e+00 2.86 -2.710205181e+00 -3.126650864e+00 -3.123552327e+00 2.88 -2.662010875e+00 -3.122160675e+00 -3.140719993e+00 2.90 -2.612844681e+00 -3.111728971e+00 -3.150417519e+00 2.92 -2.562885377e+00 -3.095788932e+00 -3.153411386e+00 2.94 -2.512295186e+00 -3.074767070e+00 -3.150401745e+00 2.96 -2.461222352e+00 -3.049087025e+00 -3.142020588e+00 2.98 -2.409804751e+00 -3.019173787e+00 -3.128830966e+00 3.00 -2.358170708e+00 -2.985457223e+00 -3.111322961e+00 3.02 -2.306453722e+00 -2.948373477e+00 -3.089920240e+00 3.04 -2.254766293e+00 -2.908362784e+00 -3.064990031e+00 3.06 -2.203186480e+00 -2.865863846e+00 -3.036855086e+00 3.08 -2.151789390e+00 -2.821302852e+00 -3.005804864e+00 3.10 -2.100646648e+00 -2.775082016e+00 -2.972104550e+00 3.12 -2.049826215e+00 -2.727567426e+00 -2.936001476e+00 3.14 -1.999392486e+00 -2.679080846e+00 -2.897729123e+00 3.16 -1.949405942e+00 -2.629894294e+00 -2.857509209e+00 3.18 -1.899904733e+00 -2.580231491e+00 -2.815552427e+00 3.20 -1.850903501e+00 -2.530272401e+00 -2.772058338e+00 3.22 -1.802421994e+00 -2.480160546e+00 -2.727215190e+00 3.24 -1.754485252e+00 -2.430011193e+00 -2.681199224e+00 3.26 -1.707121880e+00 -2.379919087e+00 -2.634174775e+00 3.28 -1.660362452e+00 -2.329965362e+00 -2.586294420e+00 3.30 -1.614238100e+00 -2.280238610e+00 -2.537699568e+00 3.32 -1.568779318e+00 -2.230796261e+00 -2.488521415e+00 3.34 -1.524015024e+00 -2.181681226e+00 -2.438882235e+00 3.36 -1.479971896e+00 -2.132936351e+00 -2.388896967e+00 3.38 -1.436673968e+00 -2.084604032e+00 -2.338689401e+00 3.40 -1.394142480e+00 -2.036725728e+00 -2.288364565e+00 3.42 -1.352395641e+00 -1.989341752e+00 -2.238010878e+00 3.44 -1.311449948e+00 -1.942490801e+00 -2.187720893e+00 3.46 -1.271318530e+00 -1.896203892e+00 -2.137592052e+00 3.48 -1.232012609e+00 -1.850487139e+00 -2.087726690e+00 3.50 -1.193541176e+00 -1.805344578e+00 -2.038230753e+00 3.52 -1.155910891e+00 -1.760784719e+00 -1.989212656e+00 3.54 -1.119125859e+00 -1.716819144e+00 -1.940777310e+00 3.56 -1.083187380e+00 -1.673461304e+00 -1.893007610e+00 3.58 -1.048093719e+00 -1.630725463e+00 -1.845965916e+00 3.60 -1.013839962e+00 -1.588625802e+00 -1.799707445e+00 3.62 -9.804179801e-01 -1.547175687e+00 -1.754277409e+00 3.64 -9.478164633e-01 -1.506387097e+00 -1.709709039e+00 3.66 -9.160209948e-01 -1.466270200e+00 -1.666022978e+00 3.68 -8.850141332e-01 -1.426833072e+00 -1.623227822e+00 3.70 -8.547755028e-01 -1.388081546e+00 -1.581321480e+00 3.72 -8.252819238e-01 -1.350019185e+00 -1.540293015e+00 3.74 -7.965076286e-01 -1.312647357e+00 -1.500124713e+00 3.76 -7.684246090e-01 -1.275965414e+00 -1.460794161e+00 3.78 -7.410031233e-01 -1.239970937e+00 -1.422276196e+00 3.80 -7.142123771e-01 -1.204660028e+00 -1.384544637e+00 3.82 -6.880213743e-01 -1.170027602e+00 -1.347573727e+00 3.84 -6.623999302e-01 -1.136067654e+00 -1.311339268e+00 3.86 -6.373198309e-01 -1.102773446e+00 -1.275819437e+00 3.88 -6.127561135e-01 -1.070137609e+00 -1.240995315e+00 3.90 -5.886884224e-01 -1.038152141e+00 -1.206851141e+00 3.92 -5.651022932e-01 -1.006808244e+00 -1.173374238e+00 3.94 -5.419907443e-01 -9.760966069e-01 -1.140555322e+00 3.96 -5.193547613e-01 -9.460066804e-01 -1.108387457e+00 3.98 -4.972042533e-01 -9.165270724e-01 -1.076866158e+00 4.00 -4.755579295e-01 -8.876454675e-01 -1.045988772e+00 4.02 -4.544425076e-01 -8.593487673e-01 -1.015753951e+00 4.04 -4.338910706e-01 -8.316233400e-01 -9.861611468e-01 4.06 -4.139406031e-01 -8.044553830e-01 -9.572101168e-01 4.08 -3.946288767e-01 -7.778313924e-01 -9.289004983e-01 4.10 -3.759909951e-01 -7.517384581e-01 -9.012314408e-01 4.12 -3.580560054e-01 -7.261661058e-01 -8.742013159e-01 4.14 -3.408440065e-01 -7.011051746e-01 -8.478074993e-01 4.16 -3.243641248e-01 -6.765498967e-01 -8.220462225e-01 4.18 -3.086135916e-01 -6.524982830e-01 -7.969124854e-01 4.20 -2.935779838e-01 -6.289527472e-01 -7.724000204e-01 4.22 -2.792325269e-01 -6.059205213e-01 -7.485012968e-01 4.24 -2.655441966e-01 -5.834137577e-01 -7.252075571e-01 4.26 -2.524743482e-01 -5.614492267e-01 -7.025088753e-01 4.28 -2.399815305e-01 -5.400475477e-01 -6.803942295e-01 4.30 -2.280242160e-01 -5.192319492e-01 -6.588515837e-01 4.32 -2.165632300e-01 -4.990266151e-01 -6.378679704e-01 4.34 -2.055637237e-01 -4.794547538e-01 -6.174295713e-01 4.36 -1.949964566e-01 -4.605365753e-01 -5.975217887e-01 4.38 -1.848392129e-01 -4.422873985e-01 -5.781293040e-01 4.40 -1.750760858e-01 -4.247160957e-01 -5.592361176e-01 4.42 -1.656977670e-01 -4.078240363e-01 -5.408255666e-01 4.44 -1.567004809e-01 -3.916046151e-01 -5.228803192e-01 4.46 -1.480846691e-01 -3.760433675e-01 -5.053823473e-01 4.48 -1.398533857e-01 -3.611185962e-01 -4.883128829e-01 4.50 -1.320105704e-01 -3.468023817e-01 -4.716523705e-01 4.52 -1.245592346e-01 -3.330618282e-01 -4.553800962e-01 4.54 -1.175005956e-01 -3.198603969e-01 -4.394755615e-01 4.56 -1.108320500e-01 -3.071592106e-01 -4.239163292e-01 4.58 -1.045471537e-01 -2.949182426e-01 -4.086796437e-01 4.60 -9.863522881e-02 -2.830973462e-01 -3.937421774e-01 4.62 -9.308155855e-02 -2.716571108e-01 -3.790802577e-01 4.64 -8.786790555e-02 -2.605595582e-01 -3.646701733e-01 4.66 -8.297325099e-02 -2.497687047e-01 -3.504885610e-01 4.68 -7.837468893e-02 -2.392510261e-01 -3.365128744e-01 4.70 -7.404832455e-02 -2.289758608e-01 -3.227219345e-01 4.72 -6.996923707e-02 -2.189157815e-01 -3.090965586e-01 4.74 -6.611412418e-02 -2.090469601e-01 -2.956202620e-01 4.76 -6.246162826e-02 -1.993495357e-01 -2.822800158e-01 4.78 -5.899170503e-02 -1.898079890e-01 -2.690670387e-01 4.80 -5.568619324e-02 -1.804113129e-01 -2.559775857e-01 4.82 -5.252919067e-02 -1.711541514e-01 -2.430136832e-01 4.84 -4.950727095e-02 -1.620357882e-01 -2.301837463e-01 4.86 -4.660956820e-02 -1.530611733e-01 -2.175030054e-01 4.88 -4.382774967e-02 -1.442406556e-01 -2.049936614e-01 4.90 -4.115589004e-02 -1.355897308e-01 -1.926846963e-01 4.92 -3.859025823e-02 -1.271285312e-01 -1.806112801e-01 4.94 -3.612902552e-02 -1.188810398e-01 -1.688137457e-01 4.96 -3.377190958e-02 -1.108740372e-01 -1.573361419e-01 4.98 -3.151976938e-02 -1.031358221e-01 -1.462244259e-01 5.00 -2.937417249e-02 -9.569477698e-02 -1.355244025e-01 5.02 -2.733696042e-02 -8.857788099e-02 -1.252795580e-01 5.04 -2.540983937e-02 -8.180928071e-02 -1.155289625e-01 5.06 -2.359402230e-02 -7.540903579e-02 -1.063054136e-01 5.08 -2.188994435e-02 -6.939213652e-02 -9.763397266e-02 5.10 -2.029705492e-02 -6.376786706e-02 -8.953100084e-02 5.12 -1.881352542e-02 -5.853952748e-02 -8.200374641e-02 5.14 -1.743665580e-02 -5.370452544e-02 -7.505047334e-02 5.16 -1.616280095e-02 -4.925480030e-02 -6.866107108e-02 5.18 -1.498738157e-02 -4.517748653e-02 -6.281804131e-02 5.20 -1.390505538e-02 -4.145568922e-02 -5.749772178e-02 5.22 -1.290990991e-02 -3.806871097e-02 -5.267167411e-02 5.24 -1.199565936e-02 -3.499486525e-02 -4.830807224e-02 5.26 -1.115583153e-02 -3.221138014e-02 -4.437294030e-02 5.28 -1.038393505e-02 -2.969469931e-02 -4.083060286e-02 5.30 -9.673601226e-03 -2.742130526e-02 -3.764676744e-02 5.32 -9.018698603e-03 -2.536847710e-02 -3.478812914e-02 5.34 -8.413420690e-03 -2.351453368e-02 -3.222259007e-02 5.36 -7.852349489e-03 -2.183914786e-02 -2.991979705e-02 5.38 -7.330498316e-03 -2.032354409e-02 -2.785148503e-02 5.40 -6.843337851e-03 -1.895059560e-02 -2.599166379e-02 5.42 -6.386809168e-03 -1.770482039e-02 -2.431668317e-02 5.44 -5.957327029e-03 -1.657232929e-02 -2.280520816e-02 5.46 -5.551775941e-03 -1.554083931e-02 -2.143807750e-02 5.48 -5.167500687e-03 -1.459948327e-02 -2.019819720e-02 5.50 -4.802292171e-03 -1.373867161e-02 -1.907054301e-02 5.52 -4.454368682e-03 -1.294995194e-02 -1.804185193e-02 5.54 -4.122352090e-03 -1.222586962e-02 -1.710034507e-02 5.56 -3.805238143e-03 -1.155983583e-02 -1.623600396e-02 5.58 -3.502360043e-03 -1.094600759e-02 -1.543972541e-02 5.60 -3.213344764e-03 -1.037918244e-02 -1.470365380e-02 5.62 -2.938062231e-03 -9.854708574e-03 -1.402092024e-02 5.64 -2.676568387e-03 -9.368410068e-03 -1.338551972e-02 5.66 -2.429044135e-03 -8.916525784e-03 -1.279220078e-02 5.68 -2.195733076e-03 -8.495659807e-03 -1.223636720e-02 5.70 -1.976881579e-03 -8.102741213e-03 -1.171399092e-02 5.72 -1.772684881e-03 -7.734990966e-03 -1.122153560e-02 5.74 -1.583242585e-03 -7.389894043e-03 -1.075588958e-02 5.76 -1.408526077e-03 -7.065175267e-03 -1.031430759e-02 5.78 -1.248359166e-03 -6.758777774e-03 -9.894360163e-03 5.80 -1.102411972e-03 -6.468843371e-03 -9.493889946e-03 5.82 -9.702067802e-04 -6.193694383e-03 -9.110974217e-03 5.84 -8.511336647e-04 -5.931816792e-03 -8.743892838e-03 5.86 -7.444730878e-04 -5.681844625e-03 -8.391101108e-03 5.88 -6.494225368e-04 -5.442545648e-03 -8.051206979e-03 5.90 -5.651244682e-04 -5.212808440e-03 -7.722952211e-03 5.92 -4.906932881e-04 -4.991630951e-03 -7.405197083e-03 5.94 -4.252396990e-04 -4.778110635e-03 -7.096908345e-03 5.96 -3.678913638e-04 -4.571436194e-03 -6.797150163e-03 5.98 -3.178093916e-04 -4.370880989e-03 -6.505077792e-03 6.00 -2.742006103e-04 -4.175798084e-03 -6.219933788e-03