# 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 = Au3Mo # 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 4.348237717e+02 nan nan 1.16 4.010165206e+02 nan nan 1.18 3.699275285e+02 nan nan 1.20 3.413037277e+02 nan nan 1.22 3.149186980e+02 nan nan 1.24 2.905738611e+02 nan nan 1.26 2.680977544e+02 nan nan 1.28 2.473424075e+02 3.784722879e+02 4.320614483e+02 1.30 2.281765837e+02 3.513830837e+02 4.017714156e+02 1.32 2.104786196e+02 3.262447186e+02 3.736764848e+02 1.34 1.941325261e+02 3.029115040e+02 3.476124521e+02 1.36 1.790277800e+02 2.812547883e+02 3.234240541e+02 1.38 1.650604428e+02 2.611567104e+02 3.009638459e+02 1.40 1.521338963e+02 2.425054081e+02 2.800933527e+02 1.42 1.401593771e+02 2.251928214e+02 2.606841942e+02 1.44 1.290568012e+02 2.091151905e+02 2.426186319e+02 1.46 1.187554151e+02 1.941748217e+02 2.257898810e+02 1.48 1.091934701e+02 1.802813069e+02 2.101021295e+02 1.50 1.003167330e+02 1.673516322e+02 1.954700829e+02 1.52 9.207638737e+01 1.553097945e+02 1.818180498e+02 1.54 8.442712675e+01 1.440864265e+02 1.690785404e+02 1.56 7.732598071e+01 1.336183443e+02 1.571904519e+02 1.58 7.073199404e+01 1.238479024e+02 1.460971943e+02 1.60 6.460651753e+01 1.147223434e+02 1.357451733e+02 1.62 5.891364578e+01 1.061933430e+02 1.260829327e+02 1.64 5.362038964e+01 9.821675388e+01 1.170610655e+02 1.66 4.871550288e+01 9.075242843e+01 1.086326674e+02 1.68 4.419921480e+01 8.376401445e+01 1.007538416e+02 1.70 4.004069824e+01 7.721871233e+01 9.338389867e+01 1.72 3.621112993e+01 7.108706494e+01 8.648527063e+01 1.74 3.268426993e+01 6.534280603e+01 8.002334675e+01 1.76 2.943640013e+01 5.996264255e+01 7.396632750e+01 1.78 2.644615046e+01 5.492579100e+01 6.828505665e+01 1.80 2.369421436e+01 5.021855644e+01 6.295280121e+01 1.82 2.116301766e+01 4.585717620e+01 5.794503568e+01 1.84 1.883641450e+01 4.182589447e+01 5.323987316e+01 1.86 1.669945524e+01 3.810196998e+01 4.882687746e+01 1.88 1.473823623e+01 3.466328501e+01 4.471582644e+01 1.90 1.293980369e+01 3.148866847e+01 4.088976541e+01 1.92 1.129206144e+01 2.855817641e+01 3.733066936e+01 1.94 9.783654083e+00 2.585324482e+01 3.402200584e+01 1.96 8.403848747e+00 2.335670094e+01 3.094847846e+01 1.98 7.142463603e+00 2.105267214e+01 2.809581629e+01 2.00 5.989869752e+00 1.892645134e+01 2.545056928e+01 2.02 4.937051165e+00 1.696436757e+01 2.299989894e+01 2.04 3.975680150e+00 1.515368746e+01 2.073140014e+01 2.06 3.098165641e+00 1.348255255e+01 1.863300254e+01 2.08 2.297650279e+00 1.193994525e+01 1.669297520e+01 2.10 1.567955559e+00 1.051567192e+01 1.490001850e+01 2.12 9.034916491e-01 9.200353138e+00 1.324339759e+01 2.14 2.991564282e-01 7.985412388e+00 1.171306524e+01 2.16 -2.497524280e-01 6.863054539e+00 1.029973571e+01 2.18 -7.475965380e-01 5.826227732e+00 8.994895514e+00 2.20 -1.198424454e+00 4.868567875e+00 7.790758279e+00 2.22 -1.605978405e+00 3.984331052e+00 6.680183416e+00 2.24 -1.973696685e+00 3.168321714e+00 5.656582034e+00 2.26 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-4.394461143e+00 -3.960080902e+00 -3.462695147e+00 2.64 -4.381436803e+00 -4.064195510e+00 -3.622261545e+00 2.66 -4.359876420e+00 -4.153686728e+00 -3.764158779e+00 2.68 -4.330272939e+00 -4.229733306e+00 -3.889665954e+00 2.70 -4.293141384e+00 -4.293208924e+00 -3.999945652e+00 2.72 -4.248992655e+00 -4.344847446e+00 -4.096063191e+00 2.74 -4.198300149e+00 -4.385336194e+00 -4.179003788e+00 2.76 -4.141515124e+00 -4.415319008e+00 -4.249656004e+00 2.78 -4.079062298e+00 -4.435436768e+00 -4.308678934e+00 2.80 -4.011333571e+00 -4.446339399e+00 -4.356674646e+00 2.82 -3.938686176e+00 -4.448594282e+00 -4.394271280e+00 2.84 -3.861444671e+00 -4.442510339e+00 -4.422122456e+00 2.86 -3.779906508e+00 -4.428367868e+00 -4.440902882e+00 2.88 -3.694350954e+00 -4.406481194e+00 -4.451429296e+00 2.90 -3.605050867e+00 -4.377197409e+00 -4.454455301e+00 2.92 -3.512286464e+00 -4.340890939e+00 -4.450403071e+00 2.94 -3.416359933e+00 -4.297957901e+00 -4.439695283e+00 2.96 -3.317609536e+00 -4.248833545e+00 -4.422734060e+00 2.98 -3.216421797e+00 -4.193987131e+00 -4.399882599e+00 3.00 -3.113240176e+00 -4.133916315e+00 -4.371456570e+00 3.02 -3.008568639e+00 -4.069152650e+00 -4.337724576e+00 3.04 -2.902968772e+00 -4.000250064e+00 -4.298912346e+00 3.06 -2.797049659e+00 -3.927767625e+00 -4.255196782e+00 3.08 -2.691450696e+00 -3.852249402e+00 -4.206731693e+00 3.10 -2.586818646e+00 -3.774204040e+00 -4.153665615e+00 3.12 -2.483781335e+00 -3.694087136e+00 -4.096148011e+00 3.14 -2.382921061e+00 -3.612289216e+00 -4.034333228e+00 3.16 -2.284750947e+00 -3.529130907e+00 -3.968382683e+00 3.18 -2.189696915e+00 -3.444865462e+00 -3.898465944e+00 3.20 -2.098086969e+00 -3.359687357e+00 -3.824761435e+00 3.22 -2.010148237e+00 -3.273744931e+00 -3.747457423e+00 3.24 -1.926011071e+00 -3.187154969e+00 -3.666753821e+00 3.26 -1.845718681e+00 -3.100017449e+00 -3.582865101e+00 3.28 -1.769240392e+00 -3.012429250e+00 -3.496024392e+00 3.30 -1.696486583e+00 -2.924496071e+00 -3.406488501e+00 3.32 -1.627323686e+00 -2.836342128e+00 -3.314543375e+00 3.34 -1.561588027e+00 -2.748117316e+00 -3.220509268e+00 3.36 -1.499097792e+00 -2.660001574e+00 -3.124744729e+00 3.38 -1.439662760e+00 -2.572206203e+00 -3.027648483e+00 3.40 -1.383091804e+00 -2.484971994e+00 -2.929658390e+00 3.42 -1.329198325e+00 -2.398564201e+00 -2.831246882e+00 3.44 -1.277803923e+00 -2.313264655e+00 -2.732912673e+00 3.46 -1.228740611e+00 -2.229361654e+00 -2.635168916e+00 3.48 -1.181851935e+00 -2.147138534e+00 -2.538528506e+00 3.50 -1.136993262e+00 -2.066862013e+00 -2.443487543e+00 3.52 -1.094031500e+00 -1.988771451e+00 -2.350508363e+00 3.54 -1.052844432e+00 -1.913070015e+00 -2.260003610e+00 3.56 -1.013319834e+00 -1.839918464e+00 -2.172322875e+00 3.58 -9.753544725e-01 -1.769431898e+00 -2.087743146e+00 3.60 -9.388530694e-01 -1.701679450e+00 -2.006463889e+00 3.62 -9.037272914e-01 -1.636686547e+00 -1.928607022e+00 3.64 -8.698947938e-01 -1.574439199e+00 -1.854221393e+00 3.66 -8.372783514e-01 -1.514889604e+00 -1.783290907e+00 3.68 -8.058050912e-01 -1.457962453e+00 -1.715745047e+00 3.70 -7.754058414e-01 -1.403561315e+00 -1.651470538e+00 3.72 -7.460146117e-01 -1.351574695e+00 -1.590322966e+00 3.74 -7.175682149e-01 -1.301881444e+00 -1.532137501e+00 3.76 -6.900060477e-01 -1.254355371e+00 -1.476738149e+00 3.78 -6.632700436e-01 -1.208869005e+00 -1.423945321e+00 3.80 -6.373048149e-01 -1.165296529e+00 -1.373581676e+00 3.82 -6.120579954e-01 -1.123515956e+00 -1.325476401e+00 3.84 -5.874807934e-01 -1.083410662e+00 -1.279468139e+00 3.86 -5.635287497e-01 -1.044870369e+00 -1.235406809e+00 3.88 -5.401626802e-01 -1.007791689e+00 -1.193154557e+00 3.90 -5.173497569e-01 -9.720783231e-01 -1.152586041e+00 3.92 -4.950646468e-01 -9.376409973e-01 -1.113588211e+00 3.94 -4.732905937e-01 -9.043972135e-01 -1.076059749e+00 3.96 -4.520202746e-01 -8.722708724e-01 -1.039910245e+00 3.98 -4.312562609e-01 -8.411918435e-01 -1.005059235e+00 4.00 -4.110108787e-01 -8.110955241e-01 -9.714351485e-01 4.02 -3.913053121e-01 -7.819224414e-01 -9.389742446e-01 4.04 -3.721678600e-01 -7.536179400e-01 -9.076195635e-01 4.06 -3.536313761e-01 -7.261319896e-01 -8.773199434e-01 4.08 -3.357300659e-01 -6.994191357e-01 -8.480291190e-01 4.10 -3.184959514e-01 -6.734386036e-01 -8.197049173e-01 4.12 -3.019554159e-01 -6.481545650e-01 -7.923085559e-01 4.14 -2.861262595e-01 -6.235364986e-01 -7.658040426e-01 4.16 -2.710156388e-01 -5.995596572e-01 -7.401576704e-01 4.18 -2.566191229e-01 -5.762055219e-01 -7.153375977e-01 4.20 -2.429209242e-01 -5.534621680e-01 -6.913135028e-01 4.22 -2.298952004e-01 -5.313244306e-01 -6.680563015e-01 4.24 -2.175081571e-01 -5.097937555e-01 -6.455379161e-01 4.26 -2.057206779e-01 -4.888776397e-01 -6.237310853e-01 4.28 -1.944911311e-01 -4.685885998e-01 -6.026092073e-01 4.30 -1.837780843e-01 -4.489426689e-01 -5.821462075e-01 4.32 -1.735427013e-01 -4.299574934e-01 -5.623164250e-01 4.34 -1.637506688e-01 -4.116501767e-01 -5.430945141e-01 4.36 -1.543735545e-01 -3.940350735e-01 -5.244553565e-01 4.38 -1.453895543e-01 -3.771217645e-01 -5.063739815e-01 4.40 -1.367836143e-01 -3.609134265e-01 -4.888254947e-01 4.42 -1.285469722e-01 -3.454057569e-01 -4.717850129e-01 4.44 -1.206761787e-01 -3.305865309e-01 -4.552276057e-01 4.46 -1.131717144e-01 -3.164357792e-01 -4.391282469e-01 4.48 -1.060363469e-01 -3.029264968e-01 -4.234617757e-01 4.50 -9.927339990e-02 -2.900257401e-01 -4.082028721e-01 4.52 -9.288511214e-02 -2.776959519e-01 -3.933260464e-01 4.54 -8.687124775e-02 -2.658963582e-01 -3.788056689e-01 4.56 -8.122807830e-02 -2.545843161e-01 -3.646159934e-01 4.58 -7.594780912e-02 -2.437165254e-01 -3.507312531e-01 4.60 -7.101845121e-02 -2.332500607e-01 -3.371257826e-01 4.62 -6.642408510e-02 -2.231432155e-01 -3.237741972e-01 4.64 -6.214543703e-02 -2.133561719e-01 -3.106516347e-01 4.66 -5.816066912e-02 -2.038515297e-01 -2.977340704e-01 4.68 -5.444628017e-02 -1.945947322e-01 -2.849987118e-01 4.70 -5.097800398e-02 -1.855544283e-01 -2.724244788e-01 4.72 -4.773141599e-02 -1.767028038e-01 -2.599925710e-01 4.74 -4.468316419e-02 -1.680159064e-01 -2.476871157e-01 4.76 -4.181149564e-02 -1.594739784e-01 -2.354958826e-01 4.78 -3.909643593e-02 -1.510617962e-01 -2.234110391e-01 4.80 -3.652018953e-02 -1.427690030e-01 -2.114299079e-01 4.82 -3.406740286e-02 -1.345904154e-01 -1.995556711e-01 4.84 -3.172530774e-02 -1.265262435e-01 -1.877979573e-01 4.86 -2.948375964e-02 -1.185822073e-01 -1.761732315e-01 4.88 -2.733518144e-02 -1.107694725e-01 -1.647049092e-01 4.90 -2.527442001e-02 -1.031043691e-01 -1.534231206e-01 4.92 -2.329852212e-02 -9.560785095e-02 -1.423640660e-01 4.94 -2.140643486e-02 -8.830468120e-02 -1.315689396e-01 4.96 -1.959841918e-02 -8.122235277e-02 -1.210824358e-01 4.98 -1.787604003e-02 -7.438978667e-02 -1.109509036e-01 5.00 -1.624174716e-02 -6.783588385e-02 -1.012202634e-01 5.02 -1.469823590e-02 -6.158803042e-02 -9.193383606e-02 5.04 -1.324803603e-02 -5.567067337e-02 -8.313025963e-02 5.06 -1.189315387e-02 -5.010407843e-02 -7.484166660e-02 5.08 -1.063478904e-02 -4.490336215e-02 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-6.375960091e-05 -2.729227841e-04 -4.086081582e-04 5.82 -5.522188081e-05 -2.363725434e-04 -3.538853172e-04 5.84 -4.785094948e-05 -2.048178414e-04 -3.066419751e-04 5.86 -4.148450325e-05 -1.775637730e-04 -2.658376668e-04 5.88 -3.598312481e-05 -1.540134071e-04 -2.305786257e-04 5.90 -3.122703266e-05 -1.336538780e-04 -2.000969561e-04 5.92 -2.711329072e-05 -1.160444426e-04 -1.737327525e-04 5.94 -2.355341429e-05 -1.008062336e-04 -1.509187556e-04 5.96 -2.047131713e-05 -8.761347140e-05 -1.311671938e-04 5.98 -1.780155154e-05 -7.618592937e-05 -1.140585014e-04 6.00 -1.548779981e-05 -6.628247527e-05 -9.923164769e-05