# 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 = Au3Cu # 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 7.935485492e+02 nan nan 0.92 7.189351354e+02 nan nan 0.94 6.520791899e+02 nan nan 0.96 5.921059379e+02 nan nan 0.98 5.382469996e+02 7.968592461e+02 nan 1.00 4.898282162e+02 7.276638106e+02 8.273467593e+02 1.02 4.462492764e+02 6.651255335e+02 7.574075043e+02 1.04 4.069828072e+02 6.085507902e+02 6.939969618e+02 1.06 3.715629923e+02 5.573253629e+02 6.364540544e+02 1.08 3.395758595e+02 5.108977657e+02 5.841876288e+02 1.10 3.106550202e+02 4.687795135e+02 5.366753479e+02 1.12 2.844725677e+02 4.305336605e+02 4.934452503e+02 1.14 2.607416040e+02 3.957708886e+02 4.540786292e+02 1.16 2.392048172e+02 3.641387518e+02 4.182008338e+02 1.18 2.196351010e+02 3.353269694e+02 3.854709122e+02 1.20 2.018303141e+02 3.090579304e+02 3.555875827e+02 1.22 1.856096130e+02 2.850827190e+02 3.282797010e+02 1.24 1.708119186e+02 2.631760300e+02 3.033011041e+02 1.26 1.572942086e+02 2.431365179e+02 2.804313229e+02 1.28 1.449295056e+02 2.247848424e+02 2.594726505e+02 1.30 1.336045548e+02 2.079605219e+02 2.402468448e+02 1.32 1.232182629e+02 1.925189768e+02 2.225927879e+02 1.34 1.136804122e+02 1.783298423e+02 2.063655663e+02 1.36 1.049101884e+02 1.652756828e+02 1.914342326e+02 1.38 9.683675408e+01 1.532516398e+02 1.776817994e+02 1.40 8.939512689e+01 1.421653253e+02 1.650023804e+02 1.42 8.252785545e+01 1.319322166e+02 1.532993193e+02 1.44 7.618267447e+01 1.224765718e+02 1.424852690e+02 1.46 7.031403240e+01 1.137300492e+02 1.324824619e+02 1.48 6.488090176e+01 1.056303463e+02 1.232215700e+02 1.50 5.984572958e+01 9.812181107e+01 1.146391010e+02 1.52 5.517427868e+01 9.115432911e+01 1.066775223e+02 1.54 5.083692506e+01 8.468234835e+01 9.928450019e+01 1.56 4.680666787e+01 7.866553339e+01 9.241220122e+01 1.58 4.305894898e+01 7.306691661e+01 8.601773079e+01 1.60 3.957146099e+01 6.785301282e+01 8.006324126e+01 1.62 3.632397001e+01 6.299315733e+01 7.451403371e+01 1.64 3.329817003e+01 5.845964704e+01 6.933815646e+01 1.66 3.047712101e+01 5.422792088e+01 6.450691877e+01 1.68 2.784533117e+01 5.027518459e+01 5.999378530e+01 1.70 2.539199344e+01 4.658040977e+01 5.577441368e+01 1.72 2.310356093e+01 4.312464531e+01 5.182712435e+01 1.74 2.095606904e+01 3.989053533e+01 4.813197891e+01 1.76 1.896045768e+01 3.686162051e+01 4.467060632e+01 1.78 1.709321030e+01 3.402348968e+01 4.142632131e+01 1.80 1.534781181e+01 3.136346527e+01 3.838395998e+01 1.82 1.371786733e+01 2.886927973e+01 3.552950916e+01 1.84 1.219730807e+01 2.653184250e+01 3.285009339e+01 1.86 1.078077660e+01 2.433992941e+01 3.033370261e+01 1.88 9.462485263e+00 2.228784186e+01 2.796969869e+01 1.90 8.237312679e+00 2.034784658e+01 2.575092382e+01 1.92 7.100336491e+00 1.853750569e+01 2.366625931e+01 1.94 6.046817645e+00 1.683602280e+01 2.169618745e+01 1.96 5.072191465e+00 1.523770927e+01 1.985646838e+01 1.98 4.171998578e+00 1.373764975e+01 1.812338710e+01 2.00 3.342028445e+00 1.233090018e+01 1.649172167e+01 2.02 2.578224273e+00 1.101287474e+01 1.495661039e+01 2.04 1.876602348e+00 9.779281146e+00 1.351319403e+01 2.06 1.233432322e+00 8.626000959e+00 1.215746382e+01 2.08 6.449599223e-01 7.549071917e+00 1.088530056e+01 2.10 1.087835600e-01 6.544675751e+00 9.692698239e+00 2.12 -3.791591406e-01 5.609130181e+00 8.575531286e+00 2.14 -8.220530840e-01 4.738887282e+00 7.530479138e+00 2.16 -1.222852226e+00 3.930233626e+00 6.554010152e+00 2.18 -1.584683243e+00 3.180025895e+00 5.642716283e+00 2.20 -1.909878595e+00 2.485228254e+00 4.793308797e+00 2.22 -2.200735192e+00 1.842603003e+00 4.002624145e+00 2.24 -2.459898661e+00 1.249324691e+00 3.267557626e+00 2.26 -2.689634850e+00 7.026539733e-01 2.585124173e+00 2.28 -2.892083749e+00 2.002803199e-01 1.952463178e+00 2.30 -3.069242451e+00 -2.603832667e-01 1.366872470e+00 2.32 -3.222680039e+00 -6.822474807e-01 8.257675664e-01 2.34 -3.354579339e+00 -1.067643399e+00 3.269939386e-01 2.36 -3.466614694e+00 -1.418795701e+00 -1.317787591e-01 2.38 -3.560491089e+00 -1.737824582e+00 -5.533131342e-01 2.40 -3.637623377e+00 -2.026485274e+00 -9.397759517e-01 2.42 -3.699327203e+00 -2.286930838e+00 -1.293237456e+00 2.44 -3.747032499e+00 -2.521011871e+00 -1.615673541e+00 2.46 -3.781694132e+00 -2.730453266e+00 -1.908840828e+00 2.48 -3.804361044e+00 -2.916941699e+00 -2.174504360e+00 2.50 -3.816638587e+00 -3.082141443e+00 -2.415087275e+00 2.52 -3.819146330e+00 -3.227163736e+00 -2.631637054e+00 2.54 -3.812782073e+00 -3.353546909e+00 -2.825677646e+00 2.56 -3.798394645e+00 -3.462725137e+00 -2.998677921e+00 2.58 -3.776771925e+00 -3.555923246e+00 -3.151932798e+00 2.60 -3.748644482e+00 -3.634895236e+00 -3.286629894e+00 2.62 -3.714688854e+00 -3.700362836e+00 -3.404271778e+00 2.64 -3.675527925e+00 -3.753189461e+00 -3.506037048e+00 2.66 -3.631130144e+00 -3.794342864e+00 -3.593039106e+00 2.68 -3.582475304e+00 -3.824552261e+00 -3.666329486e+00 2.70 -3.530264970e+00 -3.844728732e+00 -3.726900496e+00 2.72 -3.474954251e+00 -3.855808064e+00 -3.775687828e+00 2.74 -3.416945026e+00 -3.858543420e+00 -3.813571916e+00 2.76 -3.357138675e+00 -3.853642306e+00 -3.841149842e+00 2.78 -3.295601586e+00 -3.841818724e+00 -3.859451005e+00 2.80 -3.232584897e+00 -3.823790483e+00 -3.869432136e+00 2.82 -3.168231334e+00 -3.799978516e+00 -3.871545914e+00 2.84 -3.102376046e+00 -3.770923607e+00 -3.866439057e+00 2.86 -3.035123674e+00 -3.737130093e+00 -3.854818498e+00 2.88 -2.967588276e+00 -3.699013294e+00 -3.838027964e+00 2.90 -2.899663663e+00 -3.656433312e+00 -3.815713912e+00 2.92 -2.831536301e+00 -3.611065721e+00 -3.788374482e+00 2.94 -2.763374539e+00 -3.562660217e+00 -3.756471837e+00 2.96 -2.695332185e+00 -3.511569687e+00 -3.720418205e+00 2.98 -2.628014213e+00 -3.458120293e+00 -3.680001960e+00 3.00 -2.561277639e+00 -3.402614702e+00 -3.636195933e+00 3.02 -2.494995920e+00 -3.345334630e+00 -3.589427916e+00 3.04 -2.429271076e+00 -3.286714610e+00 -3.540028396e+00 3.06 -2.364194244e+00 -3.227048660e+00 -3.488301576e+00 3.08 -2.299854283e+00 -3.166240936e+00 -3.434530669e+00 3.10 -2.236412826e+00 -3.103952855e+00 -3.378979037e+00 3.12 -2.173828556e+00 -3.040814820e+00 -3.321891416e+00 3.14 -2.112157317e+00 -2.977221137e+00 -3.263492401e+00 3.16 -2.051446839e+00 -2.913324089e+00 -3.204044184e+00 3.18 -1.991750880e+00 -2.849269568e+00 -3.143262353e+00 3.20 -1.933083301e+00 -2.785190860e+00 -3.081266162e+00 3.22 -1.875443401e+00 -2.721209525e+00 -3.019392790e+00 3.24 -1.818800123e+00 -2.657436369e+00 -2.957269874e+00 3.26 -1.763139138e+00 -2.593972191e+00 -2.894884165e+00 3.28 -1.708579653e+00 -2.530908502e+00 -2.832367242e+00 3.30 -1.655199338e+00 -2.468328109e+00 -2.769839589e+00 3.32 -1.602988392e+00 -2.406305688e+00 -2.707411697e+00 3.34 -1.551939809e+00 -2.344908420e+00 -2.645184698e+00 3.36 -1.502059350e+00 -2.284196670e+00 -2.583251002e+00 3.38 -1.453339432e+00 -2.224224073e+00 -2.521694890e+00 3.40 -1.405795447e+00 -2.165074023e+00 -2.460592890e+00 3.42 -1.359442261e+00 -2.107238100e+00 -2.400014341e+00 3.44 -1.314243477e+00 -2.050241138e+00 -2.340022120e+00 3.46 -1.270134073e+00 -1.994128077e+00 -2.280672895e+00 3.48 -1.227069794e+00 -1.938907643e+00 -2.222017049e+00 3.50 -1.185028521e+00 -1.884581004e+00 -2.164110681e+00 3.52 -1.144028994e+00 -1.831130722e+00 -2.107205319e+00 3.54 -1.104096566e+00 -1.778528694e+00 -2.051120142e+00 3.56 -1.065250646e+00 -1.726849236e+00 -1.995881866e+00 3.58 -1.027448516e+00 -1.676185303e+00 -1.941491827e+00 3.60 -9.906666713e-01 -1.626545723e+00 -1.887956066e+00 3.62 -9.549117414e-01 -1.577920714e+00 -1.835250617e+00 3.64 -9.201907792e-01 -1.530311784e+00 -1.783359203e+00 3.66 -8.865046607e-01 -1.483718131e+00 -1.732363418e+00 3.68 -8.536316434e-01 -1.438148472e+00 -1.682344106e+00 3.70 -8.215344361e-01 -1.393615938e+00 -1.633307633e+00 3.72 -7.903588714e-01 -1.350109501e+00 -1.585243594e+00 3.74 -7.602153492e-01 -1.307589961e+00 -1.538157864e+00 3.76 -7.311813563e-01 -1.266011170e+00 -1.492046057e+00 3.78 -7.033074188e-01 -1.225340880e+00 -1.446915623e+00 3.80 -6.766289098e-01 -1.185578228e+00 -1.402782539e+00 3.82 -6.513805826e-01 -1.146738987e+00 -1.359652277e+00 3.84 -6.273289247e-01 -1.108843031e+00 -1.317481223e+00 3.86 -6.040752427e-01 -1.071894640e+00 -1.276221970e+00 3.88 -5.813291162e-01 -1.035870087e+00 -1.235841633e+00 3.90 -5.588863401e-01 -1.000755898e+00 -1.196327414e+00 3.92 -5.366106612e-01 -9.665494780e-01 -1.157692682e+00 3.94 -5.144187515e-01 -9.332573296e-01 -1.120228471e+00 3.96 -4.922679050e-01 -9.008669717e-01 -1.083741168e+00 3.98 -4.701460195e-01 -8.692396787e-01 -1.048142030e+00 4.00 -4.480634887e-01 -8.383438573e-01 -1.013410500e+00 4.02 -4.260465849e-01 -8.082237095e-01 -9.795465377e-01 4.04 -4.040400508e-01 -7.789758902e-01 -9.465565386e-01 4.06 -3.821089333e-01 -7.506818318e-01 -9.144473936e-01 4.08 -3.604661002e-01 -7.233987844e-01 -8.831627519e-01 4.10 -3.392760257e-01 -6.971647805e-01 -8.525276644e-01 4.12 -3.186628569e-01 -6.721156219e-01 -8.226099668e-01 4.14 -2.987177179e-01 -6.482299677e-01 -7.934935545e-01 4.16 -2.795048212e-01 -6.252817591e-01 -7.652666927e-01 4.18 -2.610665721e-01 -6.030012907e-01 -7.379934177e-01 4.20 -2.434278178e-01 -5.811478414e-01 -7.117175434e-01 4.22 -2.265993805e-01 -5.595496341e-01 -6.864734177e-01 4.24 -2.105809847e-01 -5.380900131e-01 -6.624519249e-01 4.26 -1.953636803e-01 -5.166957026e-01 -6.394845232e-01 4.28 -1.809318323e-01 -4.953024889e-01 -6.173132109e-01 4.30 -1.672647572e-01 -4.744610098e-01 -5.956789896e-01 4.32 -1.543380582e-01 -4.539036256e-01 -5.743850993e-01 4.34 -1.421247141e-01 -4.334035770e-01 -5.532929388e-01 4.36 -1.305959554e-01 -4.129328747e-01 -5.323103996e-01 4.38 -1.197219704e-01 -3.925620346e-01 -5.113821204e-01 4.40 -1.094717994e-01 -3.724126547e-01 -4.904813754e-01 4.42 -9.973772602e-02 -3.526036140e-01 -4.696033577e-01 4.44 -9.202419317e-02 -3.332500875e-01 -4.487596536e-01 4.46 -8.550272203e-02 -3.144395142e-01 -4.279649543e-01 4.48 -7.933750697e-02 -2.962363375e-01 -4.071635312e-01 4.50 -7.353546562e-02 -2.786860430e-01 -3.864766825e-01 4.52 -6.808096820e-02 -2.618185723e-01 -3.660335620e-01 4.54 -6.329867813e-02 -2.456512009e-01 -3.459665281e-01 4.56 -5.927146315e-02 -2.301909595e-01 -3.263859058e-01 4.58 -5.547268886e-02 -2.154366652e-01 -3.073750204e-01 4.60 -5.188993720e-02 -2.013806174e-01 -2.889948328e-01 4.62 -4.851139503e-02 -1.880100156e-01 -2.712878698e-01 4.64 -4.532583634e-02 -1.753081363e-01 -2.542815473e-01 4.66 -4.232260267e-02 -1.632553108e-01 -2.379909770e-01 4.68 -3.949158220e-02 -1.518297275e-01 -2.224213246e-01 4.70 -3.682318806e-02 -1.410080909e-01 -2.075697904e-01 4.72 -3.430833644e-02 -1.307661603e-01 -1.934272679e-01 4.74 -3.193842458e-02 -1.210791859e-01 -1.799797279e-01 4.76 -2.970530909e-02 -1.119222609e-01 -1.672093728e-01 4.78 -2.760128422e-02 -1.032705989e-01 -1.550955851e-01 4.80 -2.561906087e-02 -9.508685036e-02 -1.436157150e-01 4.82 -2.375174611e-02 -8.774184927e-02 -1.327457243e-01 4.84 -2.199282348e-02 -8.095498423e-02 -1.224607135e-01 4.86 -2.033613390e-02 -7.454358836e-02 -1.127353476e-01 4.88 -1.877585715e-02 -6.848829081e-02 -1.035441957e-01 4.90 -1.730649434e-02 -6.277045872e-02 -9.486200361e-02 4.92 -1.592285102e-02 -5.737183331e-02 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