# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPt3 # 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 1.110927962e+03 nan nan 0.92 1.012745820e+03 nan nan 0.94 9.241118539e+02 nan nan 0.96 8.439979500e+02 nan nan 0.98 7.715011546e+02 1.116568249e+03 nan 1.00 7.058228017e+02 1.025470224e+03 1.154339445e+03 1.02 6.462588864e+02 9.425603199e+02 1.062588807e+03 1.04 5.921824465e+02 8.670265673e+02 9.788799356e+02 1.06 5.430374098e+02 7.981456804e+02 9.024301596e+02 1.08 4.983275249e+02 7.352702182e+02 8.325381457e+02 1.10 4.576139656e+02 6.778253345e+02 7.685828977e+02 1.12 4.205017461e+02 6.252938877e+02 7.100060124e+02 1.14 3.866393112e+02 5.772116395e+02 6.563088075e+02 1.16 3.557115402e+02 5.331642399e+02 6.070428299e+02 1.18 3.274360925e+02 4.927781952e+02 5.618040492e+02 1.20 3.015604554e+02 4.557165749e+02 5.202303561e+02 1.22 2.778568113e+02 4.216752039e+02 4.819938949e+02 1.24 2.561218095e+02 3.903824119e+02 4.467979047e+02 1.26 2.361729854e+02 3.615911198e+02 4.143764321e+02 1.28 2.178458611e+02 3.350783048e+02 3.844876422e+02 1.30 2.009916241e+02 3.106414057e+02 3.569115132e+02 1.32 1.854782256e+02 2.880996211e+02 3.314497529e+02 1.34 1.711856848e+02 2.672887743e+02 3.079226612e+02 1.36 1.580058290e+02 2.480597533e+02 2.861666701e+02 1.38 1.458401367e+02 2.302774765e+02 2.660325109e+02 1.40 1.346014556e+02 2.138190624e+02 2.473851731e+02 1.42 1.242103142e+02 1.985733405e+02 2.301023105e+02 1.44 1.145948977e+02 1.844402091e+02 2.140721933e+02 1.46 1.056901367e+02 1.713283054e+02 1.991930500e+02 1.48 9.743637142e+01 1.591544399e+02 1.853713929e+02 1.50 8.978102161e+01 1.478429193e+02 1.725226945e+02 1.52 8.267567855e+01 1.373250230e+02 1.605706656e+02 1.54 7.607646248e+01 1.275377183e+02 1.494451196e+02 1.56 6.994337972e+01 1.184237744e+02 1.390818329e+02 1.58 6.424011699e+01 1.099313045e+02 1.294220573e+02 1.60 5.893263647e+01 1.020134039e+02 1.204122243e+02 1.62 5.399158695e+01 9.462674831e+01 1.120028304e+02 1.64 4.938945719e+01 8.773176356e+01 1.041496418e+02 1.66 4.510103839e+01 8.129203953e+01 9.681162075e+01 1.68 4.110319599e+01 7.527433549e+01 8.995117965e+01 1.70 3.737471112e+01 6.964818550e+01 8.353382938e+01 1.72 3.389627777e+01 6.438555803e+01 7.752769834e+01 1.74 3.065014894e+01 5.946084191e+01 7.190369784e+01 1.76 2.760878530e+01 5.485040120e+01 6.663503572e+01 1.78 2.479068115e+01 5.053210903e+01 6.169661244e+01 1.80 2.217595918e+01 4.648608100e+01 5.706605243e+01 1.82 1.975130488e+01 4.269400707e+01 5.272264302e+01 1.84 1.750438504e+01 3.913881071e+01 4.864707783e+01 1.86 1.542373069e+01 3.580471512e+01 4.482152997e+01 1.88 1.349866739e+01 3.267715556e+01 4.122951184e+01 1.90 1.171919765e+01 2.974257522e+01 3.785573841e+01 1.92 1.007603611e+01 2.698032651e+01 3.468603254e+01 1.94 8.560501854e+00 2.441019075e+01 3.170727971e+01 1.96 7.164379857e+00 2.201240364e+01 2.890730722e+01 1.98 5.879704985e+00 1.977641645e+01 2.626956813e+01 2.00 4.699592257e+00 1.769260501e+01 2.381384248e+01 2.02 3.617642595e+00 1.575185731e+01 2.151831056e+01 2.04 2.627563660e+00 1.394562735e+01 1.937396706e+01 2.06 1.723433350e+00 1.226573363e+01 1.737203496e+01 2.08 8.996070968e-01 1.070451885e+01 1.550417823e+01 2.10 1.508775377e-01 9.255210896e+00 1.376257553e+01 2.12 -5.277171612e-01 7.910817195e+00 1.213987517e+01 2.14 -1.140768226e+00 6.665282599e+00 1.062917304e+01 2.16 -1.692143174e+00 5.512871315e+00 9.223977724e+00 2.18 -2.186549300e+00 4.448045274e+00 7.918130193e+00 2.20 -2.627953045e+00 3.465589860e+00 6.705873854e+00 2.22 -3.020178895e+00 2.560549299e+00 5.581789078e+00 2.24 -3.366774251e+00 1.728273707e+00 4.540754237e+00 2.26 -3.671098496e+00 9.643634089e-01 3.577931300e+00 2.28 -3.936676348e+00 2.646476075e-01 2.688722229e+00 2.30 -4.166151128e+00 -3.748571760e-01 1.868820531e+00 2.32 -4.362451463e+00 -9.579435797e-01 1.114142623e+00 2.34 -4.528314267e+00 -1.487546330e+00 4.208109975e-01 2.36 -4.665999805e+00 -1.967390233e+00 -2.148492016e-01 2.38 -4.778106122e+00 -2.400704851e+00 -7.966797903e-01 2.40 -4.866184518e+00 -2.790544871e+00 -1.327561052e+00 2.42 -4.932564855e+00 -3.139846687e+00 -1.810446121e+00 2.44 -4.979475364e+00 -3.451309905e+00 -2.248459212e+00 2.46 -5.008574213e+00 -3.727508777e+00 -2.644395826e+00 2.48 -5.021547415e+00 -3.970885832e+00 -3.001009455e+00 2.50 -5.019992785e+00 -4.183754164e+00 -3.320920034e+00 2.52 -5.005375599e+00 -4.368303154e+00 -3.606471366e+00 2.54 -4.979055472e+00 -4.526603761e+00 -3.859945598e+00 2.56 -4.942291699e+00 -4.660613472e+00 -4.083513354e+00 2.58 -4.896248453e+00 -4.772175411e+00 -4.279232436e+00 2.60 -4.841999952e+00 -4.862732447e+00 -4.449052747e+00 2.62 -4.780535533e+00 -4.933807987e+00 -4.594820873e+00 2.64 -4.712765137e+00 -4.987388438e+00 -4.718284953e+00 2.66 -4.639804357e+00 -5.025155276e+00 -4.821438435e+00 2.68 -4.562392366e+00 -5.048443257e+00 -4.905272180e+00 2.70 -4.480946173e+00 -5.058322172e+00 -4.971337533e+00 2.72 -4.396103509e+00 -5.056011597e+00 -5.021176419e+00 2.74 -4.307525762e+00 -5.042636258e+00 -5.056099596e+00 2.76 -4.215124975e+00 -5.019236237e+00 -5.077303416e+00 2.78 -4.121076405e+00 -4.987782258e+00 -5.085992345e+00 2.80 -4.025811203e+00 -4.948789951e+00 -5.083278702e+00 2.82 -3.929698040e+00 -4.902458804e+00 -5.070145619e+00 2.84 -3.833672275e+00 -4.849575076e+00 -5.047547838e+00 2.86 -3.738520790e+00 -4.790870284e+00 -5.016378118e+00 2.88 -3.643348541e+00 -4.727022281e+00 -4.977470186e+00 2.90 -3.548338468e+00 -4.658673635e+00 -4.931601619e+00 2.92 -3.453752341e+00 -4.586556573e+00 -4.879496625e+00 2.94 -3.359835797e+00 -4.511021502e+00 -4.821828811e+00 2.96 -3.266949704e+00 -4.432572683e+00 -4.759223868e+00 2.98 -3.175052861e+00 -4.350822755e+00 -4.692262185e+00 3.00 -3.084277354e+00 -4.265626420e+00 -4.621481393e+00 3.02 -2.994742377e+00 -4.178845654e+00 -4.547378810e+00 3.04 -2.906551136e+00 -4.090863839e+00 -4.470398749e+00 3.06 -2.819792306e+00 -4.001992720e+00 -4.390793882e+00 3.08 -2.734550812e+00 -3.912516636e+00 -4.308888145e+00 3.10 -2.650998076e+00 -3.822693563e+00 -4.225299062e+00 3.12 -2.569058384e+00 -3.732756242e+00 -4.140384066e+00 3.14 -2.488775455e+00 -3.642921820e+00 -4.054440951e+00 3.16 -2.410184229e+00 -3.553293758e+00 -3.967744682e+00 3.18 -2.333310975e+00 -3.464114057e+00 -3.880546228e+00 3.20 -2.258174477e+00 -3.375551681e+00 -3.793070254e+00 3.22 -2.184825605e+00 -3.287742985e+00 -3.705707491e+00 3.24 -2.113236175e+00 -3.200790726e+00 -3.618450405e+00 3.26 -2.043420171e+00 -3.115774070e+00 -3.531421550e+00 3.28 -1.975355834e+00 -3.032103998e+00 -3.444833834e+00 3.30 -1.908998134e+00 -2.949527919e+00 -3.358825119e+00 3.32 -1.844322524e+00 -2.868121132e+00 -3.273520745e+00 3.34 -1.781183221e+00 -2.787950513e+00 -3.189033144e+00 3.36 -1.719452897e+00 -2.709073706e+00 -3.105462469e+00 3.38 -1.659213229e+00 -2.631540108e+00 -3.022897623e+00 3.40 -1.600631348e+00 -2.555395687e+00 -2.941417101e+00 3.42 -1.543782235e+00 -2.480726727e+00 -2.861089857e+00 3.44 -1.488602590e+00 -2.407502008e+00 -2.781976116e+00 3.46 -1.435041401e+00 -2.335744123e+00 -2.704127828e+00 3.48 -1.383062592e+00 -2.265470171e+00 -2.627589438e+00 3.50 -1.332632082e+00 -2.196691722e+00 -2.552398921e+00 3.52 -1.283715479e+00 -2.129414302e+00 -2.478587466e+00 3.54 -1.236289570e+00 -2.063660121e+00 -2.406180742e+00 3.56 -1.190320103e+00 -1.999416680e+00 -2.335199342e+00 3.58 -1.145740582e+00 -1.936648592e+00 -2.265658363e+00 3.60 -1.102524015e+00 -1.875339472e+00 -2.197568008e+00 3.62 -1.060664385e+00 -1.815397309e+00 -2.130933681e+00 3.64 -1.020155632e+00 -1.756699861e+00 -2.065778430e+00 3.66 -9.809137990e-01 -1.699245939e+00 -2.002085743e+00 3.68 -9.426941586e-01 -1.643166551e+00 -1.939821341e+00 3.70 -9.055627040e-01 -1.588571867e+00 -1.878974288e+00 3.72 -8.696689819e-01 -1.535464417e+00 -1.819449983e+00 3.74 -8.351177509e-01 -1.483797733e+00 -1.761114623e+00 3.76 -8.019772722e-01 -1.433533522e+00 -1.704446464e+00 3.78 -7.702862751e-01 -1.384643946e+00 -1.649340634e+00 3.80 -7.401907980e-01 -1.337107463e+00 -1.595651708e+00 3.82 -7.117361073e-01 -1.290898637e+00 -1.543380939e+00 3.84 -6.844498521e-01 -1.245997751e+00 -1.492482496e+00 3.86 -6.579449049e-01 -1.202368469e+00 -1.442921291e+00 3.88 -6.319465928e-01 -1.159978517e+00 -1.394672889e+00 3.90 -6.062686274e-01 -1.118794545e+00 -1.347717688e+00 3.92 -5.807933826e-01 -1.078803980e+00 -1.302034019e+00 3.94 -5.554558054e-01 -1.040002896e+00 -1.257639352e+00 3.96 -5.302303687e-01 -1.002312132e+00 -1.214485529e+00 3.98 -5.051205560e-01 -9.656707233e-01 -1.172516961e+00 4.00 -4.801504474e-01 -9.300166062e-01 -1.131711796e+00 4.02 -4.552940495e-01 -8.953426654e-01 -1.092052500e+00 4.04 -4.305576706e-01 -8.617634950e-01 -1.053536611e+00 4.06 -4.061762342e-01 -8.293627833e-01 -1.016156815e+00 4.08 -3.823385672e-01 -7.981969112e-01 -9.797657529e-01 4.10 -3.591856667e-01 -7.683655867e-01 -9.443369895e-01 4.12 -3.368196115e-01 -7.398746432e-01 -9.098326908e-01 4.14 -3.153109747e-01 -7.126417217e-01 -8.763468282e-01 4.16 -2.947049814e-01 -6.865538354e-01 -8.439711524e-01 4.18 -2.750266075e-01 -6.612818573e-01 -8.127699313e-01 4.20 -2.562847931e-01 -6.365675352e-01 -7.827846355e-01 4.22 -2.384759124e-01 -6.122268310e-01 -7.541307288e-01 4.24 -2.215866223e-01 -5.881347567e-01 -7.268092356e-01 4.26 -2.055961927e-01 -5.642127890e-01 -7.006782466e-01 4.28 -1.904784051e-01 -5.404184679e-01 -6.754884977e-01 4.30 -1.762026972e-01 -5.167368442e-01 -6.509537387e-01 4.32 -1.627018347e-01 -4.931653671e-01 -6.268653526e-01 4.34 -1.511832234e-01 -4.696729269e-01 -6.030770547e-01 4.36 -1.409251866e-01 -4.463425771e-01 -5.794921158e-01 4.38 -1.312567679e-01 -4.232144451e-01 -5.560527312e-01 4.40 -1.221440383e-01 -4.003957773e-01 -5.327312170e-01 4.42 -1.135587691e-01 -3.780447925e-01 -5.095227563e-01 4.44 -1.054734304e-01 -3.562822446e-01 -4.864394610e-01 4.46 -9.786133423e-02 -3.351979060e-01 -4.634421459e-01 4.48 -9.069673598e-02 -3.148560737e-01 -4.405720390e-01 4.50 -8.395490309e-02 -2.953002034e-01 -4.179207375e-01 4.52 -7.761215578e-02 -2.765568034e-01 -3.956308331e-01 4.54 -7.164588741e-02 -2.586386984e-01 -3.738406195e-01 4.56 -6.603456939e-02 -2.415474587e-01 -3.526551906e-01 4.58 -6.075774085e-02 -2.252509455e-01 -3.321521664e-01 4.60 -5.579598981e-02 -2.104582580e-01 -3.123865421e-01 4.62 -5.113092659e-02 -1.970780570e-01 -2.933947794e-01 4.64 -4.674515181e-02 -1.843576991e-01 -2.751982519e-01 4.66 -4.262222069e-02 -1.722990988e-01 -2.578061420e-01 4.68 -3.874660454e-02 -1.608777643e-01 -2.412178654e-01 4.70 -3.510365068e-02 -1.500681907e-01 -2.254250980e-01 4.72 -3.168262269e-02 -1.398443945e-01 -2.104134649e-01 4.74 -2.848953735e-02 -1.301802607e-01 -1.961639429e-01 4.76 -2.626985190e-02 -1.210498204e-01 -1.826540205e-01 4.78 -2.421688082e-02 -1.124274684e-01 -1.698586509e-01 4.80 -2.228577711e-02 -1.042854314e-01 -1.577510375e-01 4.82 -2.046619209e-02 -9.668199567e-02 -1.463032663e-01 4.84 -1.875178862e-02 -8.953917912e-02 -1.354868238e-01 4.86 -1.713657996e-02 -8.280059888e-02 -1.252730103e-01 4.88 -1.561491145e-02 -7.644486631e-02 -1.156332675e-01 4.90 -1.418144308e-02 -7.045146523e-02 -1.065394361e-01 4.92 -1.283113284e-02 -6.480076460e-02 -9.796395532e-02 4.94 -1.155922080e-02 -5.947402037e-02 -8.988001446e-02 4.96 -1.035286674e-02 -5.445336753e-02 -8.226166302e-02 4.98 -9.396264569e-03 -4.972180544e-02 -7.508388893e-02 5.00 -8.525431386e-03 -4.526317772e-02 -6.832267009e-02 5.02 -7.702654134e-03 -4.106214917e-02 -6.195500614e-02 5.04 -6.925352269e-03 -3.710417924e-02 -5.595893231e-02 5.06 -6.191077753e-03 -3.337549186e-02 -5.031351718e-02 5.08 -5.497508737e-03 -2.986304560e-02 -4.499885228e-02 5.10 -4.842443448e-03 -2.655450267e-02 -3.999603290e-02 5.12 -4.223794381e-03 -2.343819801e-02 -3.528713286e-02 5.14 -3.639582676e-03 -2.050310793e-02 -3.085517411e-02 5.16 -3.087932737e-03 -1.773881912e-02 -2.668409277e-02 5.18 -2.567067135e-03 -1.513549853e-02 -2.275870341e-02 5.20 -2.075301758e-03 -1.268386410e-02 -1.906466204e-02 5.22 -1.611041210e-03 -1.037515650e-02 -1.558842852e-02 5.24 -1.172774271e-03 -8.201111173e-03 -1.231722796e-02 5.26 -7.590596367e-04 -6.153890354e-03 -9.238950478e-03 5.28 -3.692006787e-04 -4.228867136e-03 -6.346335225e-03 5.30 -1.624052029e-05 -2.478315103e-03 -3.717568820e-03 5.32 -2.566832974e-06 -2.149488886e-03 -3.224246698e-03 5.34 0.000000000e+00 -1.883529496e-03 -2.825294244e-03 5.36 0.000000000e+00 -1.644106086e-03 -2.466159130e-03 5.38 0.000000000e+00 -1.419639405e-03 -2.129459108e-03 5.40 0.000000000e+00 -1.209217430e-03 -1.813826145e-03 5.42 0.000000000e+00 -1.011982323e-03 -1.517973484e-03 5.44 0.000000000e+00 -8.271272801e-04 -1.240690920e-03 5.46 0.000000000e+00 -6.538935812e-04 -9.808403718e-04 5.48 0.000000000e+00 -4.915678077e-04 -7.373517115e-04 5.50 0.000000000e+00 -3.394792252e-04 -5.092188377e-04 5.52 0.000000000e+00 -1.969972755e-04 -2.954959132e-04 5.54 0.000000000e+00 -6.267536912e-05 -9.401305367e-05 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 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00