# 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 = AgAu3 # 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 4.130573109e+02 nan nan 1.16 3.806680422e+02 nan nan 1.18 3.508993941e+02 nan nan 1.20 3.235142222e+02 nan nan 1.22 2.983011541e+02 nan nan 1.24 2.750717191e+02 nan nan 1.26 2.536566484e+02 nan nan 1.28 2.339029728e+02 3.590824643e+02 4.104988844e+02 1.30 2.156714766e+02 3.332077260e+02 3.815982815e+02 1.32 1.988345734e+02 3.092301096e+02 3.547920270e+02 1.34 1.832757302e+02 2.869978814e+02 3.299111751e+02 1.36 1.688899192e+02 2.663728846e+02 3.068017123e+02 1.38 1.555831441e+02 2.472282143e+02 2.853248812e+02 1.40 1.432703914e+02 2.294472004e+02 2.653565905e+02 1.42 1.318733605e+02 2.129232956e+02 2.467848546e+02 1.44 1.213193649e+02 1.975603190e+02 2.295066466e+02 1.46 1.115412764e+02 1.832721570e+02 2.134259436e+02 1.48 1.024775293e+02 1.699811669e+02 1.984531240e+02 1.50 9.407166069e+01 1.576157623e+02 1.845049331e+02 1.52 8.627161232e+01 1.461085513e+02 1.715044911e+02 1.54 7.902926513e+01 1.353957397e+02 1.593811255e+02 1.56 7.230038708e+01 1.254173358e+02 1.480700306e+02 1.58 6.604480151e+01 1.161174619e+02 1.375118669e+02 1.60 6.023614726e+01 1.074445512e+02 1.276523116e+02 1.62 5.487835389e+01 9.935146180e+01 1.184415597e+02 1.64 4.994251854e+01 9.179547271e+01 1.098339096e+02 1.66 4.539740024e+01 8.473804755e+01 1.017874796e+02 1.68 4.121341946e+01 7.814430426e+01 9.426386432e+01 1.70 3.736274790e+01 7.198229948e+01 8.722757994e+01 1.72 3.381928125e+01 6.622239897e+01 8.064544819e+01 1.74 3.055877151e+01 6.084136593e+01 7.448619852e+01 1.76 2.755893127e+01 5.584381947e+01 6.872037071e+01 1.78 2.479940774e+01 5.121037204e+01 6.332038115e+01 1.80 2.226162663e+01 4.691524889e+01 5.827725676e+01 1.82 1.992856738e+01 4.293365473e+01 5.358942451e+01 1.84 1.778453352e+01 3.924250947e+01 4.923295552e+01 1.86 1.581496085e+01 3.582046223e+01 4.518495606e+01 1.88 1.400629055e+01 3.264794163e+01 4.142449746e+01 1.90 1.234591413e+01 2.970714906e+01 3.793238858e+01 1.92 1.082216445e+01 2.698195284e+01 3.469072383e+01 1.94 9.424311739e+00 2.445768653e+01 3.168251504e+01 1.96 8.142536246e+00 2.212088422e+01 2.889152852e+01 1.98 6.967874164e+00 1.995900702e+01 2.630232233e+01 2.00 5.892147993e+00 1.796021800e+01 2.390037455e+01 2.02 4.907893054e+00 1.611324259e+01 2.167218652e+01 2.04 4.008285658e+00 1.440732018e+01 1.960530654e+01 2.06 3.187072983e+00 1.283222553e+01 1.768828147e+01 2.08 2.438502950e+00 1.137832314e+01 1.591057374e+01 2.10 1.757253774e+00 1.003661799e+01 1.426247864e+01 2.12 1.138365762e+00 8.798779175e+00 1.273505845e+01 2.14 5.771810856e-01 7.657130064e+00 1.132009038e+01 2.16 6.929890153e-02 6.604611534e+00 1.001001607e+01 2.18 -3.894484743e-01 5.634730749e+00 8.797881593e+00 2.20 -8.029982120e-01 4.741508025e+00 7.677263514e+00 2.22 -1.175045221e+00 3.919430216e+00 6.642184290e+00 2.24 -1.509026676e+00 3.163413083e+00 5.687027716e+00 2.26 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-3.577183722e+00 -3.236058452e+00 -2.832758402e+00 2.64 -3.557981049e+00 -3.321808900e+00 -2.977425928e+00 2.66 -3.532089503e+00 -3.394619640e+00 -3.105044033e+00 2.68 -3.500330996e+00 -3.455684403e+00 -3.216757214e+00 2.70 -3.463385492e+00 -3.506186243e+00 -3.313618415e+00 2.72 -3.421824406e+00 -3.547125989e+00 -3.396603002e+00 2.74 -3.376215254e+00 -3.579124555e+00 -3.466622907e+00 2.76 -3.327100116e+00 -3.602687901e+00 -3.524541234e+00 2.78 -3.274981996e+00 -3.618300189e+00 -3.571250849e+00 2.80 -3.220318388e+00 -3.626426987e+00 -3.607750901e+00 2.82 -3.163522934e+00 -3.627518114e+00 -3.634625296e+00 2.84 -3.104973452e+00 -3.622009561e+00 -3.652470197e+00 2.86 -3.045004618e+00 -3.610318426e+00 -3.661942970e+00 2.88 -2.983910441e+00 -3.592835615e+00 -3.663750426e+00 2.90 -2.921949728e+00 -3.569954191e+00 -3.658628482e+00 2.92 -2.859351142e+00 -3.542141295e+00 -3.647314813e+00 2.94 -2.796317323e+00 -3.509693369e+00 -3.630515983e+00 2.96 -2.733027989e+00 -3.472896418e+00 -3.608863880e+00 2.98 -2.669642338e+00 -3.432066704e+00 -3.582941781e+00 3.00 -2.606301133e+00 -3.387551562e+00 -3.553314486e+00 3.02 -2.543128736e+00 -3.339728438e+00 -3.520302468e+00 3.04 -2.480235164e+00 -3.289000382e+00 -3.484168517e+00 3.06 -2.417718105e+00 -3.235787221e+00 -3.445148006e+00 3.08 -2.355664774e+00 -3.180517214e+00 -3.403456439e+00 3.10 -2.294153560e+00 -3.123608691e+00 -3.359296200e+00 3.12 -2.233255416e+00 -3.065447930e+00 -3.312861555e+00 3.14 -2.173035019e+00 -3.006376227e+00 -3.264341833e+00 3.16 -2.113551676e+00 -2.946682574e+00 -3.213926652e+00 3.18 -2.054859988e+00 -2.886602512e+00 -3.161806120e+00 3.20 -1.997010241e+00 -2.826322264e+00 -3.108164731e+00 3.22 -1.940048532e+00 -2.765986371e+00 -3.053180399e+00 3.24 -1.884016657e+00 -2.705706813e+00 -2.997023708e+00 3.26 -1.828951811e+00 -2.645571954e+00 -2.939857265e+00 3.28 -1.774886213e+00 -2.585654282e+00 -2.881835280e+00 3.30 -1.721846739e+00 -2.526016492e+00 -2.823103503e+00 3.32 -1.669854685e+00 -2.466715897e+00 -2.763799580e+00 3.34 -1.618925742e+00 -2.407807363e+00 -2.704053866e+00 3.36 -1.569070213e+00 -2.349345070e+00 -2.643990729e+00 3.38 -1.520293482e+00 -2.291383349e+00 -2.583730276e+00 3.40 -1.472596699e+00 -2.233976866e+00 -2.523390416e+00 3.42 -1.425977593e+00 -2.177180321e+00 -2.463089053e+00 3.44 -1.380431331e+00 -2.121047820e+00 -2.402946091e+00 3.46 -1.335951310e+00 -2.065632079e+00 -2.343084878e+00 3.48 -1.292529809e+00 -2.010983527e+00 -2.283632645e+00 3.50 -1.250158429e+00 -1.957149442e+00 -2.224719574e+00 3.52 -1.208828307e+00 -1.904173151e+00 -2.166476343e+00 3.54 -1.168530085e+00 -1.852093370e+00 -2.109030209e+00 3.56 -1.129253698e+00 -1.800943681e+00 -2.052500162e+00 3.58 -1.090988024e+00 -1.750752181e+00 -1.996991826e+00 3.60 -1.053720458e+00 -1.701541271e+00 -1.942592980e+00 3.62 -1.017436481e+00 -1.653327587e+00 -1.889370432e+00 3.64 -9.821192704e-01 -1.606122055e+00 -1.837368675e+00 3.66 -9.477493969e-01 -1.559930051e+00 -1.786610398e+00 3.68 -9.143046327e-01 -1.514751659e+00 -1.737098561e+00 3.70 -8.817598828e-01 -1.470582013e+00 -1.688819551e+00 3.72 -8.500872506e-01 -1.427411730e+00 -1.641746858e+00 3.74 -8.192562407e-01 -1.385227406e+00 -1.595844809e+00 3.76 -7.892341017e-01 -1.344012186e+00 -1.551072012e+00 3.78 -7.599863152e-01 -1.303746383e+00 -1.507384326e+00 3.80 -7.314772366e-01 -1.264408126e+00 -1.464737283e+00 3.82 -7.036708962e-01 -1.225974013e+00 -1.423087988e+00 3.84 -6.765319635e-01 -1.188419731e+00 -1.382396514e+00 3.86 -6.500268716e-01 -1.151720621e+00 -1.342626881e+00 3.88 -6.241250809e-01 -1.115852141e+00 -1.303747649e+00 3.90 -5.988004408e-01 -1.080790214e+00 -1.265732188e+00 3.92 -5.740325708e-01 -1.046511459e+00 -1.228558649e+00 3.94 -5.498081566e-01 -1.012993289e+00 -1.192209701e+00 3.96 -5.261219929e-01 -9.802139082e-01 -1.156672047e+00 3.98 -5.029776149e-01 -9.481522497e-01 -1.121935811e+00 4.00 -4.803873151e-01 -9.167878806e-01 -1.087993825e+00 4.02 -4.583713940e-01 -8.861009365e-01 -1.054840872e+00 4.04 -4.369565586e-01 -8.560721284e-01 -1.022472952e+00 4.06 -4.161734972e-01 -8.266828680e-01 -9.908865992e-01 4.08 -3.960538042e-01 -7.979155414e-01 -9.600782817e-01 4.10 -3.766265642e-01 -7.697539472e-01 -9.300439109e-01 4.12 -3.579150034e-01 -7.421839161e-01 -9.007784572e-01 4.14 -3.399336431e-01 -7.151940338e-01 -8.722756760e-01 4.16 -3.226863269e-01 -6.887764884e-01 -8.445279297e-01 4.18 -3.061653646e-01 -6.629279057e-01 -8.175260941e-01 4.20 -2.903518546e-01 -6.376500896e-01 -7.912595314e-01 4.22 -2.752170934e-01 -6.129505380e-01 -7.657161131e-01 4.24 -2.607248110e-01 -5.888426024e-01 -7.408822790e-01 4.26 -2.468339599e-01 -5.653451729e-01 -7.167431165e-01 4.28 -2.335017148e-01 -5.424818094e-01 -6.932824524e-01 4.30 -2.206864027e-01 -5.202793035e-01 -6.704829454e-01 4.32 -2.083501310e-01 -4.987657365e-01 -6.483261764e-01 4.34 -1.964609375e-01 -4.779681881e-01 -6.267927293e-01 4.36 -1.849943397e-01 -4.579103174e-01 -6.058622634e-01 4.38 -1.739342110e-01 -4.386100797e-01 -5.855135726e-01 4.40 -1.632729311e-01 -4.200778317e-01 -5.657246354e-01 4.42 -1.530108335e-01 -4.023150257e-01 -5.464726543e-01 4.44 -1.431549869e-01 -3.853136038e-01 -5.277340886e-01 4.46 -1.337174228e-01 -3.690561017e-01 -5.094846823e-01 4.48 -1.247129727e-01 -3.535163788e-01 -4.916994928e-01 4.50 -1.161569245e-01 -3.386608240e-01 -4.743529236e-01 4.52 -1.080627310e-01 -3.244498578e-01 -4.574187635e-01 4.54 -1.004400027e-01 -3.108395518e-01 -4.408702643e-01 4.56 -9.329296339e-02 -2.977832181e-01 -4.246802012e-01 4.58 -8.661949818e-02 -2.852328605e-01 -4.088210115e-01 4.60 -8.041082488e-02 -2.731404305e-01 -3.932649560e-01 4.62 -7.465175016e-02 -2.614588669e-01 -3.779843403e-01 4.64 -6.932140532e-02 -2.501429322e-01 -3.629518052e-01 4.66 -6.439432060e-02 -2.391498783e-01 -3.481406948e-01 4.68 -5.984169082e-02 -2.284399856e-01 -3.335255151e-01 4.70 -5.563268892e-02 -2.179770178e-01 -3.190824899e-01 4.72 -5.173546997e-02 -2.077286349e-01 -3.047902157e-01 4.74 -4.811881644e-02 -1.976667919e-01 -2.906304135e-01 4.76 -4.475299034e-02 -1.877681439e-01 -2.765887614e-01 4.78 -4.161015669e-02 -1.780144588e-01 -2.626557827e-01 4.80 -3.866498549e-02 -1.683930240e-01 -2.488277463e-01 4.82 -3.589505554e-02 -1.588970313e-01 -2.351075207e-01 4.84 -3.328108581e-02 -1.495258656e-01 -2.215053083e-01 4.86 -3.080701759e-02 -1.402852865e-01 -2.080391699e-01 4.88 -2.845996861e-02 -1.311874102e-01 -1.947352479e-01 4.90 -2.623007562e-02 -1.222504463e-01 -1.816275979e-01 4.92 -2.411023938e-02 -1.134981412e-01 -1.687575557e-01 4.94 -2.209578597e-02 -1.049589013e-01 -1.561726037e-01 4.96 -2.018398462e-02 -9.666460300e-02 -1.439247402e-01 4.98 -1.837346177e-02 -8.864912871e-02 -1.320684179e-01 5.00 -1.666431740e-02 -8.094671147e-02 -1.206581686e-01 5.02 -1.505727017e-02 -7.359019730e-02 -1.097460832e-01 5.04 -1.355315506e-02 -6.660935746e-02 -9.937934528e-02 5.06 -1.215252911e-02 -6.002938398e-02 -8.959802141e-02 5.08 -1.085535543e-02 -5.386968663e-02 -8.043328781e-02 5.10 -9.660779719e-03 -4.814307803e-02 -7.190622666e-02 5.12 -8.567004138e-03 -4.285538461e-02 -6.402725954e-02 5.14 -7.571254411e-03 -3.800548785e-02 -5.679621677e-02 5.16 -6.669827787e-03 -3.358574873e-02 -5.020297870e-02 5.18 -5.858204281e-03 -2.958273564e-02 -4.422857461e-02 5.20 -5.131200910e-03 -2.597805809e-02 -3.884659755e-02 5.22 -4.483148808e-03 -2.274886884e-02 -3.402479959e-02 5.24 -3.908075368e-03 -1.987076275e-02 -2.972672106e-02 5.26 -3.399877198e-03 -1.731770146e-02 -2.591313494e-02 5.28 -2.952473872e-03 -1.506265809e-02 -2.254283636e-02 5.30 -2.559936558e-03 -1.307848612e-02 -1.957588471e-02 5.32 -2.216589121e-03 -1.133861462e-02 -1.697326549e-02 5.34 -1.917082035e-03 -9.817574332e-03 -1.469736051e-02 5.36 -1.656441343e-03 -8.491369368e-03 -1.271258277e-02 5.38 -1.430096012e-03 -7.337715155e-03 -1.098578881e-02 5.40 -1.233887528e-03 -6.336166047e-03 -9.486509105e-03 5.42 -1.064065598e-03 -5.468155621e-03 -8.187035443e-03 5.44 -9.172735628e-04 -4.716971050e-03 -7.062400869e-03 5.46 -7.905266640e-04 -4.067680182e-03 -6.090282710e-03 5.48 -6.811857759e-04 -3.507026883e-03 -5.250853903e-03 5.50 -5.869287101e-04 -3.023307124e-03 -4.526602667e-03 5.52 -5.057206846e-04 -2.606235483e-03 -3.902135950e-03 5.54 -4.357851399e-04 -2.246809227e-03 -3.363977021e-03 5.56 -3.755757188e-04 -1.937175130e-03 -2.900371574e-03 5.58 -3.237499471e-04 -1.670502488e-03 -2.501091866e-03 5.60 -2.791449265e-04 -1.440864509e-03 -2.157264146e-03 5.62 -2.407551882e-04 -1.243129301e-03 -1.861204539e-03 5.64 -2.077127318e-04 -1.072860928e-03 -1.606271068e-03 5.66 -1.792691961e-04 -9.262305275e-04 -1.386730666e-03 5.68 -1.547800486e-04 -7.999371278e-04 -1.197640665e-03 5.70 -1.336906516e-04 -6.911375935e-04 -1.034743926e-03 5.72 -1.155240440e-04 -5.973849942e-04 -8.943765717e-04 5.74 -9.987027381e-05 -5.165746441e-04 -7.733871923e-04 5.76 -8.637711612e-05 -4.468970424e-04 -6.690663811e-04 5.78 -7.474202237e-05 -3.867969684e-04 -5.790854849e-04 5.80 -6.470515371e-05 -3.349380239e-04 -5.014435096e-04 5.82 -5.604336554e-05 -2.901719683e-04 -4.344212014e-04 5.84 -4.856502201e-05 -2.515122494e-04 -3.765414116e-04 5.86 -4.210553248e-05 -2.181111905e-04 -3.265349363e-04 5.88 -3.652351374e-05 -1.892403563e-04 -2.833111159e-04 5.90 -3.169749334e-05 -1.642736704e-04 -2.459325551e-04 5.92 -2.752307995e-05 -1.426729125e-04 -2.135934064e-04 5.94 -2.391053573e-05 -1.239752663e-04 -1.856007255e-04 5.96 -2.078269475e-05 -1.077826358e-04 -1.613584725e-04 5.98 -1.807317845e-05 -9.375247976e-05 -1.403537893e-04 6.00 -1.572486626e-05 -8.158995279e-05 -1.221452308e-04