# 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 = Au3Pt # 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 1.137702092e+03 nan nan 0.92 1.039116772e+03 nan nan 0.94 9.500764249e+02 nan nan 0.96 8.695250602e+02 nan nan 0.98 7.965390927e+02 1.143772534e+03 nan 1.00 7.303097568e+02 1.052318882e+03 1.182374843e+03 1.02 6.701258358e+02 9.690427325e+02 1.089960126e+03 1.04 6.153622888e+02 8.931061011e+02 1.005639074e+03 1.06 5.654670156e+02 8.237699495e+02 9.285984240e+02 1.08 5.199520479e+02 7.603803877e+02 8.581196924e+02 1.10 4.783840362e+02 7.023561087e+02 7.935634238e+02 1.12 4.403792751e+02 6.491818550e+02 7.343628692e+02 1.14 4.055956210e+02 6.003984040e+02 6.800121900e+02 1.16 3.737284204e+02 5.555953102e+02 6.300605065e+02 1.18 3.445051033e+02 5.144065235e+02 5.841048463e+02 1.20 3.176819762e+02 4.765041657e+02 5.417835644e+02 1.22 2.930407477e+02 4.415940775e+02 5.027728001e+02 1.24 2.703846732e+02 4.094113274e+02 4.667813946e+02 1.26 2.495371552e+02 3.797180255e+02 4.335465646e+02 1.28 2.303392998e+02 3.522995849e+02 4.028319762e+02 1.30 2.126477844e+02 3.269624817e+02 3.744243976e+02 1.32 1.963326710e+02 3.035308351e+02 3.481303766e+02 1.34 1.812768329e+02 2.818460728e+02 3.237749925e+02 1.36 1.673740952e+02 2.617644489e+02 3.011997932e+02 1.38 1.545281716e+02 2.431552421e+02 2.802609201e+02 1.40 1.426512785e+02 2.258999034e+02 2.608272154e+02 1.42 1.316639456e+02 2.098902840e+02 2.427792986e+02 1.44 1.214937337e+02 1.950276166e+02 2.260085668e+02 1.46 1.120747497e+02 1.812220883e+02 2.104157715e+02 1.48 1.033469668e+02 1.683915420e+02 1.959104785e+02 1.50 9.525524592e+01 1.564608147e+02 1.824095306e+02 1.52 8.774950923e+01 1.453612084e+02 1.698367337e+02 1.54 8.078385828e+01 1.350298857e+02 1.581225686e+02 1.56 7.431630709e+01 1.254090714e+02 1.472032023e+02 1.58 6.830844082e+01 1.164455901e+02 1.370198127e+02 1.60 6.272527776e+01 1.080905819e+02 1.275185856e+02 1.62 5.753420769e+01 1.002993836e+02 1.186500907e+02 1.64 5.270557497e+01 9.303082343e+01 1.103684224e+02 1.66 4.821219213e+01 8.624690780e+01 1.026315849e+02 1.68 4.402904874e+01 7.991276316e+01 9.540086194e+01 1.70 4.013316635e+01 7.399625336e+01 8.864046923e+01 1.72 3.650340709e+01 6.846771994e+01 8.231734248e+01 1.74 3.312162606e+01 6.329974360e+01 7.640099825e+01 1.76 2.997933243e+01 5.846703459e+01 7.086325775e+01 1.78 2.706128558e+01 5.394634015e+01 6.567815078e+01 1.80 2.435547311e+01 4.971588428e+01 6.082132223e+01 1.82 2.184811938e+01 4.575559728e+01 5.627036077e+01 1.84 1.952625186e+01 4.204697382e+01 5.200458273e+01 1.86 1.737778758e+01 3.857288777e+01 4.800482762e+01 1.88 1.539136575e+01 3.531740795e+01 4.425325001e+01 1.90 1.355633779e+01 3.227069377e+01 4.073330921e+01 1.92 1.186276513e+01 2.942120087e+01 3.742968133e+01 1.94 1.030131225e+01 2.676193305e+01 3.432877488e+01 1.96 8.863221278e+00 2.428151580e+01 3.142301527e+01 1.98 7.540272478e+00 2.196922069e+01 2.870268016e+01 2.00 6.324655055e+00 1.981488318e+01 2.615976612e+01 2.02 5.209101646e+00 1.780898696e+01 2.378412315e+01 2.04 4.186776977e+00 1.594256394e+01 2.156569142e+01 2.06 3.251325930e+00 1.420719618e+01 1.949521987e+01 2.08 2.396657917e+00 1.259488903e+01 1.756401346e+01 2.10 1.617330376e+00 1.109805468e+01 1.576385208e+01 2.12 9.082821762e-01 9.709667705e+00 1.408687023e+01 2.14 2.645204529e-01 8.422976217e+00 1.252576428e+01 2.16 -3.186612804e-01 7.231611882e+00 1.107363269e+01 2.18 -8.456003530e-01 6.129628356e+00 9.723927936e+00 2.20 -1.320363179e+00 5.111501766e+00 8.470507496e+00 2.22 -1.746761360e+00 4.171851581e+00 7.307565673e+00 2.24 -2.128022445e+00 3.305772110e+00 6.229615905e+00 2.26 -2.467741008e+00 2.508646036e+00 5.231478252e+00 2.28 -2.769103674e+00 1.776080988e+00 4.308230594e+00 2.30 -3.035045841e+00 1.103949391e+00 3.455260625e+00 2.32 -3.268388548e+00 4.885051706e-01 2.668226404e+00 2.34 -3.471791013e+00 -7.408425084e-02 1.943020908e+00 2.36 -3.647504458e+00 -5.872868637e-01 1.275769736e+00 2.38 -3.797711112e+00 -1.054369436e+00 6.630214877e-01 2.40 -3.924491635e+00 -1.478407380e+00 1.010833244e-01 2.42 -4.029811251e+00 -1.862315776e+00 -4.132870063e-01 2.44 -4.115735255e+00 -2.208511276e+00 -8.831501447e-01 2.46 -4.183685275e+00 -2.519827534e+00 -1.311391360e+00 2.48 -4.235155691e+00 -2.798681418e+00 -1.700722370e+00 2.50 -4.271534520e+00 -3.047347733e+00 -2.053795323e+00 2.52 -4.294290002e+00 -3.267964393e+00 -2.372899499e+00 2.54 -4.304653138e+00 -3.462539979e+00 -2.660336044e+00 2.56 -4.303785394e+00 -3.632960878e+00 -2.918247308e+00 2.58 -4.292763886e+00 -3.780998397e+00 -3.148649650e+00 2.60 -4.272586809e+00 -3.908083215e+00 -3.353440322e+00 2.62 -4.244178569e+00 -4.015997296e+00 -3.534404010e+00 2.64 -4.208394764e+00 -4.106214644e+00 -3.693219226e+00 2.66 -4.166121502e+00 -4.180157212e+00 -3.831502303e+00 2.68 -4.118080336e+00 -4.239113580e+00 -3.950663644e+00 2.70 -4.064850616e+00 -4.284184793e+00 -4.052129969e+00 2.72 -4.007052076e+00 -4.316282697e+00 -4.137208789e+00 2.74 -3.945240457e+00 -4.336731670e+00 -4.207128675e+00 2.76 -3.879386882e+00 -4.346508203e+00 -4.263042726e+00 2.78 -3.810448526e+00 -4.346832404e+00 -4.305999687e+00 2.80 -3.739191764e+00 -4.338601878e+00 -4.337075876e+00 2.82 -3.665844211e+00 -4.322278191e+00 -4.357197003e+00 2.84 -3.590774459e+00 -4.298604838e+00 -4.367251205e+00 2.86 -3.514254021e+00 -4.268275615e+00 -4.368073104e+00 2.88 -3.435810730e+00 -4.231937070e+00 -4.360444033e+00 2.90 -3.356623371e+00 -4.190260444e+00 -4.345095083e+00 2.92 -3.276959621e+00 -4.144505043e+00 -4.322709964e+00 2.94 -3.197060763e+00 -4.094381201e+00 -4.293927726e+00 2.96 -3.117423213e+00 -4.040372166e+00 -4.259345335e+00 2.98 -3.038399650e+00 -3.982925562e+00 -4.219520107e+00 3.00 -2.959894067e+00 -3.922004209e+00 -4.174972011e+00 3.02 -2.881827970e+00 -3.858195586e+00 -4.126185850e+00 3.04 -2.804341627e+00 -3.792174954e+00 -4.073612930e+00 3.06 -2.727569285e+00 -3.724255714e+00 -4.017697778e+00 3.08 -2.651922779e+00 -3.654740237e+00 -3.958981003e+00 3.10 -2.577387836e+00 -3.583962147e+00 -3.897189280e+00 3.12 -2.503820339e+00 -3.511657692e+00 -3.833177704e+00 3.14 -2.431299745e+00 -3.438080085e+00 -3.767231139e+00 3.16 -2.359895828e+00 -3.363961923e+00 -3.699640248e+00 3.18 -2.289669070e+00 -3.289484936e+00 -3.630668360e+00 3.20 -2.220670447e+00 -3.214830025e+00 -3.560521233e+00 3.22 -2.152944835e+00 -3.140162911e+00 -3.489462530e+00 3.24 -2.086527770e+00 -3.065628162e+00 -3.417849555e+00 3.26 -2.021449161e+00 -2.991683852e+00 -3.345721850e+00 3.28 -1.957735587e+00 -2.918227513e+00 -3.273258706e+00 3.30 -1.895402719e+00 -2.845260402e+00 -3.200626101e+00 3.32 -1.834462961e+00 -2.772884720e+00 -3.127975392e+00 3.34 -1.774935258e+00 -2.701192941e+00 -3.055445102e+00 3.36 -1.716770555e+00 -2.630267761e+00 -2.983161773e+00 3.38 -1.659906493e+00 -2.560182910e+00 -2.911240695e+00 3.40 -1.604343245e+00 -2.491039185e+00 -2.839786636e+00 3.42 -1.550166687e+00 -2.423334780e+00 -2.768894559e+00 3.44 -1.497445076e+00 -2.356619917e+00 -2.698650425e+00 3.46 -1.446147323e+00 -2.290941148e+00 -2.629131643e+00 3.48 -1.396193275e+00 -2.226337347e+00 -2.560407371e+00 3.50 -1.347523543e+00 -2.162843458e+00 -2.492539741e+00 3.52 -1.300098331e+00 -2.100487384e+00 -2.425584030e+00 3.54 -1.253928532e+00 -2.039293375e+00 -2.359588402e+00 3.56 -1.209038574e+00 -1.979281088e+00 -2.294596363e+00 3.58 -1.165445033e+00 -1.920468822e+00 -2.230644291e+00 3.60 -1.123102911e+00 -1.862861368e+00 -2.167765058e+00 3.62 -1.081979324e+00 -1.806475288e+00 -2.105985195e+00 3.64 -1.042078988e+00 -1.751310396e+00 -2.045327768e+00 3.66 -1.003405327e+00 -1.697315972e+00 -1.985812007e+00 3.68 -9.659385739e-01 -1.644444163e+00 -1.927455589e+00 3.70 -9.294742311e-01 -1.592712450e+00 -1.870263458e+00 3.72 -8.939453118e-01 -1.542195117e+00 -1.814252281e+00 3.74 -8.595057313e-01 -1.492943534e+00 -1.759418952e+00 3.76 -8.262673446e-01 -1.444913752e+00 -1.705871392e+00 3.78 -7.943068173e-01 -1.398040623e+00 -1.653486938e+00 3.80 -7.636720777e-01 -1.352278144e+00 -1.602193689e+00 3.82 -7.344309213e-01 -1.307597866e+00 -1.552061604e+00 3.84 -7.067135317e-01 -1.264013929e+00 -1.503145825e+00 3.86 -6.803454711e-01 -1.221547016e+00 -1.455416971e+00 3.88 -6.549080017e-01 -1.180214398e+00 -1.408811042e+00 3.90 -6.300958947e-01 -1.139988262e+00 -1.363282698e+00 3.92 -6.056947382e-01 -1.100826241e+00 -1.318792084e+00 3.94 -5.815614521e-01 -1.062732598e+00 -1.275612920e+00 3.96 -5.576082964e-01 -1.025711443e+00 -1.233559093e+00 3.98 -5.337898133e-01 -9.897656288e-01 -1.192587182e+00 4.00 -5.100922241e-01 -9.548274120e-01 -1.152691735e+00 4.02 -4.865247444e-01 -9.206621482e-01 -1.113820004e+00 4.04 -4.630863953e-01 -8.873754357e-01 -1.075973398e+00 4.06 -4.398016068e-01 -8.550839567e-01 -1.039157406e+00 4.08 -4.166773820e-01 -8.238729647e-01 -1.003376421e+00 4.10 -3.939018041e-01 -7.938015723e-01 -9.686221742e-01 4.12 -3.716413820e-01 -7.649072682e-01 -9.346586989e-01 4.14 -3.500208397e-01 -7.372252274e-01 -9.014924461e-01 4.16 -3.291307787e-01 -7.109756375e-01 -8.692484729e-01 4.18 -3.090340766e-01 -6.859164331e-01 -8.380202765e-01 4.20 -2.897712179e-01 -6.616904753e-01 -8.078749185e-01 4.22 -2.713647243e-01 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-6.923418794e-02 -2.560534596e-01 -3.638932678e-01 4.60 -6.385693047e-02 -2.401555071e-01 -3.438062572e-01 4.62 -5.879835705e-02 -2.252313742e-01 -3.243922510e-01 4.64 -5.404012584e-02 -2.110367832e-01 -3.056957903e-01 4.66 -4.956484430e-02 -1.975607839e-01 -2.877454010e-01 4.68 -4.535603995e-02 -1.847815476e-01 -2.705565837e-01 4.70 -4.139812788e-02 -1.726750355e-01 -2.541343263e-01 4.72 -3.767919827e-02 -1.612157230e-01 -2.384752124e-01 4.74 -3.420280711e-02 -1.503771627e-01 -2.235691827e-01 4.76 -3.165279805e-02 -1.401324394e-01 -2.094010044e-01 4.78 -2.928827468e-02 -1.304545347e-01 -1.959514886e-01 4.80 -2.706611065e-02 -1.213019627e-01 -1.831984996e-01 4.82 -2.497495397e-02 -1.130969754e-01 -1.711177836e-01 4.84 -2.300723816e-02 -1.055219032e-01 -1.596836497e-01 4.86 -2.115582033e-02 -9.836961615e-02 -1.488695236e-01 4.88 -1.941395881e-02 -9.161840081e-02 -1.386483939e-01 4.90 -1.777529171e-02 -8.524732566e-02 -1.289931709e-01 4.92 -1.623381659e-02 -7.923627513e-02 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