# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-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 2026-08-31 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 6.809233303e+06 nan nan 0.80 6.181729367e+06 nan nan 0.82 5.614927323e+06 nan nan 0.84 5.101787250e+06 nan nan 0.86 4.636204411e+06 6.542683695e+06 nan 0.88 4.212866208e+06 5.988837891e+06 6.677006843e+06 0.90 3.827171789e+06 5.483956918e+06 6.126254148e+06 0.92 3.475097321e+06 5.022840843e+06 5.623152118e+06 0.94 3.153136606e+06 4.600904591e+06 5.162743763e+06 0.96 2.858205248e+06 4.214161821e+06 4.740629171e+06 0.98 2.587609332e+06 3.859048975e+06 4.352982188e+06 1.00 2.338943090e+06 3.532450543e+06 3.996396771e+06 1.02 2.110083437e+06 3.231621080e+06 3.667890527e+06 1.04 1.899145663e+06 2.954150402e+06 3.364799835e+06 1.06 1.704465501e+06 2.697867149e+06 3.084789962e+06 1.08 1.524554182e+06 2.460849015e+06 2.825766622e+06 1.10 1.358072495e+06 2.241330686e+06 2.585831993e+06 1.12 1.203843910e+06 2.037777756e+06 2.363282532e+06 1.14 1.060804099e+06 1.848813365e+06 2.156619804e+06 1.16 9.279954262e+05 1.673178111e+06 1.964474449e+06 1.18 8.045535960e+05 1.509756961e+06 1.785649478e+06 1.20 6.897007825e+05 1.357549492e+06 1.619045150e+06 1.22 5.827498677e+05 1.215635823e+06 1.463674251e+06 1.24 4.830550194e+05 1.083202481e+06 1.318644749e+06 1.26 3.914735003e+05 9.595126355e+05 1.183134532e+06 1.28 3.094149881e+05 8.438913786e+05 1.056406891e+06 1.30 2.421212164e+05 7.357025229e+05 9.377936160e+05 1.32 1.897248474e+05 6.343824075e+05 8.266659763e+05 1.34 1.488598398e+05 5.394104249e+05 7.224673958e+05 1.36 1.169385985e+05 4.504118775e+05 6.246903127e+05 1.38 9.196296018e+04 3.690885392e+05 5.328733856e+05 1.40 7.239295707e+04 2.962609180e+05 4.466236705e+05 1.42 5.703895621e+04 2.365873120e+05 3.674738863e+05 1.44 4.497814294e+04 1.891512510e+05 2.963162404e+05 1.46 3.549187697e+04 1.513905234e+05 2.381040823e+05 1.48 2.802310309e+04 1.212923380e+05 1.915376343e+05 1.50 2.213774255e+04 9.726848763e+04 1.542366778e+05 1.52 1.749630924e+04 7.806845927e+04 1.243196243e+05 1.54 1.383329760e+04 6.270756085e+04 1.002957493e+05 1.56 1.093990941e+04 5.040510801e+04 8.098327091e+04 1.58 8.652931791e+03 4.054183405e+04 6.543869197e+04 1.60 6.844470739e+03 3.262707394e+04 5.291137139e+04 1.62 5.413970732e+03 2.627064723e+04 4.280729667e+04 1.64 4.282060164e+03 2.116182612e+04 3.465092487e+04 1.66 3.386173928e+03 1.705213038e+04 2.806095363e+04 1.68 2.676981919e+03 1.374333554e+04 2.273312137e+04 1.70 2.115504705e+03 1.107815435e+04 1.842319154e+04 1.72 1.671017185e+03 8.930642488e+03 1.493438901e+04 1.74 1.319220281e+03 7.199663054e+03 1.210866977e+04 1.76 1.040863137e+03 5.803974701e+03 9.819101246e+03 1.78 8.206898782e+02 4.678437929e+03 7.963320186e+03 1.80 6.466036483e+02 3.770655254e+03 6.458513737e+03 1.82 5.090176780e+02 3.038426407e+03 5.237828910e+03 1.84 4.003245969e+02 2.447760938e+03 4.247417171e+03 1.86 3.144800850e+02 1.971315189e+03 3.443766944e+03 1.88 2.467227947e+02 1.587039696e+03 2.791629766e+03 1.90 1.932736289e+02 1.277075804e+03 2.262309656e+03 1.92 1.511407205e+02 1.027080643e+03 1.832658664e+03 1.94 1.179535613e+02 8.255089011e+02 1.483965893e+03 1.96 9.183313795e+01 6.630404274e+02 1.201037811e+03 1.98 7.129024298e+01 5.321447313e+02 9.715316516e+02 2.00 5.514473490e+01 4.267304404e+02 7.854158944e+02 2.02 4.246039960e+01 3.418558606e+02 6.345304264e+02 2.04 3.249903350e+01 2.735559003e+02 5.122541483e+02 2.06 2.467926738e+01 2.186286366e+02 4.132013510e+02 2.08 1.854062767e+01 1.744847142e+02 3.329907974e+02 2.10 1.372125665e+01 1.390307329e+02 2.680728035e+02 2.12 9.936298315e+00 1.105733747e+02 2.155612763e+02 2.14 6.961969280e+00 8.774665362e+01 1.731042129e+02 2.16 4.622324592e+00 6.944813075e+01 1.387790623e+02 2.18 2.779192606e+00 5.478722997e+01 1.110469389e+02 2.20 1.324272631e+00 4.304484819e+01 8.865800288e+01 2.22 1.728468111e-01 3.364278890e+01 7.059572229e+01 2.24 -7.412180756e-01 2.611805701e+01 5.603375291e+01 2.26 -1.469438698e+00 2.009614128e+01 4.430125625e+01 2.28 -2.051861120e+00 1.527714652e+01 3.485380774e+01 2.30 -2.519551143e+00 1.142087611e+01 2.724991968e+01 2.32 -2.896562321e+00 8.334272214e+00 2.113135750e+01 2.34 -3.201488221e+00 5.862384882e+00 1.620863708e+01 2.36 -3.448684188e+00 3.881026976e+00 1.224813501e+01 2.38 -3.649228004e+00 2.290838061e+00 9.061115665e+00 2.40 -3.811660253e+00 1.012468395e+00 6.495301275e+00 2.42 -3.942573535e+00 -1.735936146e-02 4.427995963e+00 2.44 -4.047070157e+00 -8.490155476e-01 2.760380497e+00 2.46 -4.129127622e+00 -1.522565070e+00 1.413142002e+00 2.48 -4.191843573e+00 -2.069737426e+00 3.227524991e-01 2.50 -4.237679315e+00 -2.515623898e+00 -5.616815766e-01 2.52 -4.268626496e+00 -2.880063323e+00 -1.280865138e+00 2.54 -4.286293805e+00 -3.178716984e+00 -1.867400105e+00 2.56 -4.292019185e+00 -3.423932214e+00 -2.347147341e+00 2.58 -4.286949358e+00 -3.625434882e+00 -2.740619991e+00 2.60 -4.272080274e+00 -3.790883461e+00 -3.064143554e+00 2.62 -4.248294935e+00 -3.926311282e+00 -3.330692351e+00 2.64 -4.216391054e+00 -4.036478607e+00 -3.550565778e+00 2.66 -4.177101008e+00 -4.125152075e+00 -3.731933966e+00 2.68 -4.131105974e+00 -4.195325800e+00 -3.881277135e+00 2.70 -4.079045752e+00 -4.249395648e+00 -4.003738510e+00 2.72 -4.021521708e+00 -4.289294510e+00 -4.103403981e+00 2.74 -3.959099027e+00 -4.316597826e+00 -4.183525935e+00 2.76 -3.892323492e+00 -4.332612818e+00 -4.246715115e+00 2.78 -3.821715312e+00 -4.338439993e+00 -4.295077061e+00 2.80 -3.747769599e+00 -4.335022291e+00 -4.330324481e+00 2.82 -3.670955191e+00 -4.323181487e+00 -4.353864891e+00 2.84 -3.591681818e+00 -4.303614717e+00 -4.366845917e+00 2.86 -3.510353586e+00 -4.276949329e+00 -4.370244011e+00 2.88 -3.427364686e+00 -4.243783382e+00 -4.364907149e+00 2.90 -3.343085356e+00 -4.204673123e+00 -4.351577705e+00 2.92 -3.257862030e+00 -4.160140438e+00 -4.330916840e+00 2.94 -3.172017580e+00 -4.110678703e+00 -4.303522989e+00 2.96 -3.085851677e+00 -4.056679059e+00 -4.269945723e+00 2.98 -2.999641256e+00 -3.998499445e+00 -4.230696013e+00 3.00 -2.913641085e+00 -3.936554393e+00 -4.186253718e+00 3.02 -2.828046303e+00 -3.871240441e+00 -4.137072944e+00 3.04 -2.742922176e+00 -3.802936844e+00 -4.083585798e+00 3.06 -2.658439776e+00 -3.732005970e+00 -4.026204941e+00 3.08 -2.574771163e+00 -3.658793495e+00 -3.965325259e+00 3.10 -2.492071354e+00 -3.583628478e+00 -3.901324907e+00 3.12 -2.410479173e+00 -3.506823390e+00 -3.834565907e+00 3.14 -2.330086862e+00 -3.428674139e+00 -3.765381804e+00 3.16 -2.250948218e+00 -3.349460113e+00 -3.694078199e+00 3.18 -2.173158165e+00 -3.269444278e+00 -3.620967574e+00 3.20 -2.096800290e+00 -3.188873323e+00 -3.546347524e+00 3.22 -2.021946573e+00 -3.107977879e+00 -3.470500185e+00 3.24 -1.948658183e+00 -3.026972788e+00 -3.393692251e+00 3.26 -1.876986244e+00 -2.946057446e+00 -3.316151808e+00 3.28 -1.806972580e+00 -2.865416194e+00 -3.237958581e+00 3.30 -1.738650432e+00 -2.785218761e+00 -3.159298948e+00 3.32 -1.672045143e+00 -2.705618659e+00 -3.080373384e+00 3.34 -1.607174817e+00 -2.626733411e+00 -3.001368932e+00 3.36 -1.544050940e+00 -2.548684968e+00 -2.922459513e+00 3.38 -1.482678971e+00 -2.471589957e+00 -2.843806268e+00 3.40 -1.423058904e+00 -2.395553248e+00 -2.765557945e+00 3.42 -1.365185792e+00 -2.320668547e+00 -2.687851307e+00 3.44 -1.309050241e+00 -2.247018986e+00 -2.610811577e+00 3.46 -1.254638875e+00 -2.174654787e+00 -2.534552895e+00 3.48 -1.201934768e+00 -2.103551289e+00 -2.459178796e+00 3.50 -1.150917847e+00 -2.033755409e+00 -2.384782696e+00 3.52 -1.101565264e+00 -1.965315055e+00 -2.311448388e+00 3.54 -1.053851748e+00 -1.898270806e+00 -2.239250538e+00 3.56 -1.007749920e+00 -1.832656409e+00 -2.168255179e+00 3.58 -9.632305949e-01 -1.768499263e+00 -2.098520207e+00 3.60 -9.202630504e-01 -1.705820885e+00 -2.030095865e+00 3.62 -8.788152773e-01 -1.644637351e+00 -1.963025218e+00 3.64 -8.388542091e-01 -1.584959730e+00 -1.897344616e+00 3.66 -8.003459306e-01 -1.526794485e+00 -1.833084148e+00 3.68 -7.632558683e-01 -1.470143863e+00 -1.770268078e+00 3.70 -7.275489634e-01 -1.415006263e+00 -1.708915265e+00 3.72 -6.931898281e-01 -1.361376580e+00 -1.649039570e+00 3.74 -6.601428868e-01 -1.309246535e+00 -1.590650238e+00 3.76 -6.283725036e-01 -1.258604986e+00 -1.533752276e+00 3.78 -5.978430963e-01 -1.209438210e+00 -1.478346798e+00 3.80 -5.685192376e-01 -1.161730184e+00 -1.424431362e+00 3.82 -5.403657467e-01 -1.115462832e+00 -1.372000290e+00 3.84 -5.133477686e-01 -1.070616261e+00 -1.321040261e+00 3.86 -4.874308450e-01 -1.027168989e+00 -1.271527874e+00 3.88 -4.625809762e-01 -9.850981394e-01 -1.223449354e+00 3.90 -4.387646749e-01 -9.443796398e-01 -1.176789451e+00 3.92 -4.159490123e-01 -9.049883915e-01 -1.131531005e+00 3.94 -3.941016576e-01 -8.668984339e-01 -1.087655162e+00 3.96 -3.731909120e-01 -8.300830931e-01 -1.045141576e+00 3.98 -3.531857357e-01 -7.945151191e-01 -1.003968593e+00 4.00 -3.340557712e-01 -7.601668112e-01 -9.640871667e-01 4.02 -3.157713611e-01 -7.270101331e-01 -9.254427123e-01 4.04 -2.983035619e-01 -6.950168177e-01 -8.880123242e-01 4.06 -2.816241545e-01 -6.641584624e-01 -8.517724936e-01 4.08 -2.657056504e-01 -6.344066156e-01 -8.166991528e-01 4.10 -2.505212959e-01 -6.057328550e-01 -7.827677846e-01 4.12 -2.360450728e-01 -5.781088584e-01 -7.499535238e-01 4.14 -2.222516970e-01 -5.515064664e-01 -7.182312491e-01 4.16 -2.091166147e-01 -5.258977402e-01 -6.875756676e-01 4.18 -1.966159974e-01 -5.012550110e-01 -6.579613922e-01 4.20 -1.847267341e-01 -4.775509258e-01 -6.293630117e-01 4.22 -1.734264231e-01 -4.547584864e-01 -6.017551541e-01 4.24 -1.626933620e-01 -4.328510840e-01 -5.751125443e-01 4.26 -1.525065365e-01 -4.118025298e-01 -5.494100559e-01 4.28 -1.428456088e-01 -3.915870805e-01 -5.246227578e-01 4.30 -1.336909045e-01 -3.721794608e-01 -5.007259558e-01 4.32 -1.250233992e-01 -3.535548820e-01 -4.776952296e-01 4.34 -1.168247049e-01 -3.356890576e-01 -4.555064657e-01 4.36 -1.090770554e-01 -3.185582155e-01 -4.341358862e-01 4.38 -1.017632914e-01 -3.021391085e-01 -4.135600740e-01 4.40 -9.486684566e-02 -2.864090215e-01 -3.937559950e-01 4.42 -8.837172787e-02 -2.713457768e-01 -3.747010167e-01 4.44 -8.226250925e-02 -2.569277375e-01 -3.563729241e-01 4.46 -7.652430728e-02 -2.431338088e-01 -3.387499334e-01 4.48 -7.114277032e-02 -2.299434384e-01 -3.218107027e-01 4.50 -6.610406238e-02 -2.173366144e-01 -3.055343410e-01 4.52 -6.139484794e-02 -2.052938630e-01 -2.899004152e-01 4.54 -5.700227724e-02 -1.937962440e-01 -2.748889543e-01 4.56 -5.291397203e-02 -1.828253461e-01 -2.604804539e-01 4.58 -4.911800780e-02 -1.723632808e-01 -2.466558770e-01 4.60 -4.560206680e-02 -1.623926758e-01 -2.333966552e-01 4.62 -4.231254310e-02 -1.528966676e-01 -2.206846876e-01 4.64 -3.921697905e-02 -1.438588931e-01 -2.085023390e-01 4.66 -3.630788624e-02 -1.352634817e-01 -1.968324371e-01 4.68 -3.357778144e-02 -1.270950456e-01 -1.856582689e-01 4.70 -3.101979345e-02 -1.193355930e-01 -1.749635759e-01 4.72 -2.862743121e-02 -1.119631573e-01 -1.647325494e-01 4.74 -2.639439073e-02 -1.049638669e-01 -1.549498241e-01 4.76 -2.431454171e-02 -9.832465828e-02 -1.456004721e-01 4.78 -2.238174197e-02 -9.203288122e-02 -1.366699961e-01 4.80 -2.059030297e-02 -8.607628910e-02 -1.281443219e-01 4.82 -1.893480286e-02 -8.044302919e-02 -1.200097914e-01 4.84 -1.740995816e-02 -7.512163291e-02 -1.122531539e-01 4.86 -1.599886449e-02 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