# 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 = Au3Ni # 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 8.520470567e+02 nan nan 0.92 7.711166507e+02 nan nan 0.94 6.986538315e+02 nan nan 0.96 6.337082953e+02 nan nan 0.98 5.754425585e+02 8.554438649e+02 nan 1.00 5.231126640e+02 7.803838208e+02 8.890574505e+02 1.02 4.760670878e+02 7.125983568e+02 8.131224184e+02 1.04 4.337273552e+02 6.513302317e+02 7.443147977e+02 1.06 3.955824070e+02 5.959034584e+02 6.819171461e+02 1.08 3.611768246e+02 5.457173162e+02 6.252854512e+02 1.10 3.301085844e+02 5.002384687e+02 5.738460033e+02 1.12 3.020191495e+02 4.589838203e+02 5.270883047e+02 1.14 2.765936322e+02 4.215259984e+02 4.845500087e+02 1.16 2.535506352e+02 3.874849870e+02 4.458196727e+02 1.18 2.326399519e+02 3.565180566e+02 4.105285763e+02 1.20 2.136385899e+02 3.283176447e+02 3.783441093e+02 1.22 1.963481053e+02 3.026092002e+02 3.489658413e+02 1.24 1.805937501e+02 2.791475048e+02 3.221257610e+02 1.26 1.662190794e+02 2.577119393e+02 2.975830791e+02 1.28 1.530840034e+02 2.381052949e+02 2.751183122e+02 1.30 1.410654631e+02 2.201509147e+02 2.545350227e+02 1.32 1.300536553e+02 2.036895020e+02 2.356574842e+02 1.34 1.199508414e+02 1.885783875e+02 2.183270469e+02 1.36 1.106684293e+02 1.746907306e+02 2.023996763e+02 1.38 1.021292423e+02 1.619128234e+02 1.877458577e+02 1.40 9.426345559e+01 1.501426792e+02 1.742486030e+02 1.42 8.700928634e+01 1.392883688e+02 1.618038981e+02 1.44 8.031099972e+01 1.292664687e+02 1.503174011e+02 1.46 7.411862076e+01 1.200023035e+02 1.397039241e+02 1.48 6.838793302e+01 1.114285460e+02 1.298868858e+02 1.50 6.307958330e+01 1.034855444e+02 1.207967995e+02 1.52 5.815775308e+01 9.611962766e+01 1.123709512e+02 1.54 5.358970575e+01 8.928199046e+01 1.045518316e+02 1.56 4.934674385e+01 8.292851399e+01 9.728871871e+01 1.58 4.540278912e+01 7.701945364e+01 9.053642052e+01 1.60 4.173428172e+01 7.151887748e+01 8.425313721e+01 1.62 3.831957131e+01 6.639429508e+01 7.840149668e+01 1.64 3.513917613e+01 6.161551633e+01 7.294648100e+01 1.66 3.217525302e+01 5.715619675e+01 6.785701422e+01 1.68 2.941147652e+01 5.299220777e+01 6.310477349e+01 1.70 2.683347246e+01 4.910126737e+01 5.866395557e+01 1.72 2.443019801e+01 4.546247141e+01 5.451123376e+01 1.74 2.216422925e+01 4.205848436e+01 5.062559525e+01 1.76 2.005530835e+01 3.887247407e+01 4.698761551e+01 1.78 1.807746972e+01 3.588903308e+01 4.357950431e+01 1.80 1.622561598e+01 3.309403447e+01 4.038497058e+01 1.82 1.449382759e+01 3.047450590e+01 3.738932657e+01 1.84 1.287653986e+01 2.801851739e+01 3.457907655e+01 1.86 1.136856140e+01 2.571669793e+01 3.194096276e+01 1.88 9.964699019e+00 2.353941467e+01 2.946347247e+01 1.90 8.659849131e+00 2.151009566e+01 2.713620551e+01 1.92 7.449022564e+00 1.959631193e+01 2.495205142e+01 1.94 6.327353323e+00 1.779351161e+01 2.287980440e+01 1.96 5.290110996e+00 1.609721333e+01 2.094310652e+01 1.98 4.333403052e+00 1.450307701e+01 1.911379279e+01 2.00 3.451932082e+00 1.300676975e+01 1.738816720e+01 2.02 2.641428935e+00 1.160407395e+01 1.576221634e+01 2.04 1.897715455e+00 1.029083643e+01 1.423196229e+01 2.06 1.216846153e+00 9.062977241e+00 1.279346833e+01 2.08 5.947955796e-01 7.916486766e+00 1.144284760e+01 2.10 2.821563471e-02 6.847310447e+00 1.017621788e+01 2.12 -4.864401744e-01 5.851836834e+00 8.989450693e+00 2.14 -9.525187197e-01 4.926456578e+00 7.879284141e+00 2.16 -1.373201668e+00 4.067945468e+00 6.842227153e+00 2.18 -1.751525758e+00 3.272122521e+00 5.874658530e+00 2.20 -2.090246951e+00 2.535774245e+00 4.973256078e+00 2.22 -2.391844763e+00 1.855475969e+00 4.135116277e+00 2.24 -2.659235899e+00 1.228244510e+00 3.356405407e+00 2.26 -2.895006437e+00 6.511687746e-01 2.634057025e+00 2.28 -3.101514574e+00 1.213788044e-01 1.965071861e+00 2.30 -3.280989227e+00 -3.638806932e-01 1.346596720e+00 2.32 -3.435533406e+00 -8.072517536e-01 7.758927740e-01 2.34 -3.567127801e+00 -1.211264863e+00 2.503131186e-01 2.36 -3.677635090e+00 -1.578340898e+00 -2.326860959e-01 2.38 -3.768931437e+00 -1.910793209e+00 -6.755468592e-01 2.40 -3.842593181e+00 -2.210616310e+00 -1.080612983e+00 2.42 -3.900220669e+00 -2.479876122e+00 -1.450390815e+00 2.44 -3.943241362e+00 -2.720861877e+00 -1.786733308e+00 2.46 -3.972669665e+00 -2.935464068e+00 -2.091596212e+00 2.48 -3.989701816e+00 -3.125493439e+00 -2.366611272e+00 2.50 -3.995911429e+00 -3.292667918e+00 -2.614364422e+00 2.52 -3.992166052e+00 -3.438839846e+00 -2.836379144e+00 2.54 -3.979436855e+00 -3.565470561e+00 -3.034322766e+00 2.56 -3.958639768e+00 -3.673899213e+00 -3.209809916e+00 2.58 -3.930619593e+00 -3.765490413e+00 -3.364373366e+00 2.60 -3.895662331e+00 -3.841530569e+00 -3.499466451e+00 2.62 -3.854991614e+00 -3.903230657e+00 -3.616465546e+00 2.64 -3.809283913e+00 -3.951729109e+00 -3.716672539e+00 2.66 -3.759131606e+00 -3.988093889e+00 -3.801317361e+00 2.68 -3.705489387e+00 -4.013097274e+00 -3.871560547e+00 2.70 -3.648510147e+00 -4.027816733e+00 -3.928495831e+00 2.72 -3.588615886e+00 -4.033225687e+00 -3.973152744e+00 2.74 -3.526231023e+00 -4.030146355e+00 -4.006494488e+00 2.76 -3.461743962e+00 -4.019345163e+00 -4.029162644e+00 2.78 -3.395664569e+00 -4.001588984e+00 -4.042565639e+00 2.80 -3.328469274e+00 -3.977642899e+00 -4.047779551e+00 2.82 -3.259750264e+00 -3.947719843e+00 -4.045000197e+00 2.84 -3.189497151e+00 -3.912414445e+00 -4.034921164e+00 2.86 -3.118670176e+00 -3.872505702e+00 -4.018191520e+00 2.88 -3.047469374e+00 -3.828485683e+00 -3.995426151e+00 2.90 -2.976091169e+00 -3.780866253e+00 -3.966873506e+00 2.92 -2.904712831e+00 -3.730643485e+00 -3.933220321e+00 2.94 -2.833493838e+00 -3.677550860e+00 -3.895127005e+00 2.96 -2.762578782e+00 -3.622222239e+00 -3.853048531e+00 2.98 -2.692573571e+00 -3.564691859e+00 -3.807406870e+00 3.00 -2.623319753e+00 -3.505268578e+00 -3.758593817e+00 3.02 -2.554675938e+00 -3.444236609e+00 -3.706972790e+00 3.04 -2.486734704e+00 -3.381856982e+00 -3.652880604e+00 3.06 -2.419577875e+00 -3.318301088e+00 -3.596629126e+00 3.08 -2.353285976e+00 -3.253168703e+00 -3.538506836e+00 3.10 -2.288021450e+00 -3.187230550e+00 -3.478780320e+00 3.12 -2.223724450e+00 -3.120841955e+00 -3.417692917e+00 3.14 -2.160442730e+00 -3.054164303e+00 -3.355529312e+00 3.16 -2.098218274e+00 -2.987350143e+00 -3.291917076e+00 3.18 -2.037082177e+00 -2.920538210e+00 -3.227160383e+00 3.20 -1.977071164e+00 -2.853854518e+00 -3.161894839e+00 3.22 -1.918235666e+00 -2.787413362e+00 -3.096919239e+00 3.24 -1.860488935e+00 -2.721318185e+00 -3.031859630e+00 3.26 -1.803765258e+00 -2.655662393e+00 -2.966693112e+00 3.28 -1.748188319e+00 -2.590530151e+00 -2.901544717e+00 3.30 -1.693829753e+00 -2.525997138e+00 -2.836528534e+00 3.32 -1.640680502e+00 -2.462130943e+00 -2.771748471e+00 3.34 -1.588725802e+00 -2.398991779e+00 -2.707298978e+00 3.36 -1.537983013e+00 -2.336633465e+00 -2.643265735e+00 3.38 -1.488472219e+00 -2.275103197e+00 -2.579726864e+00 3.40 -1.440162655e+00 -2.214478989e+00 -2.516803596e+00 3.42 -1.392988470e+00 -2.155258818e+00 -2.454632695e+00 3.44 -1.346903460e+00 -2.096949021e+00 -2.393137474e+00 3.46 -1.301877666e+00 -2.039576545e+00 -2.332369851e+00 3.48 -1.257936046e+00 -1.983170186e+00 -2.272374579e+00 3.50 -1.215109597e+00 -1.927778457e+00 -2.213192270e+00 3.52 -1.173411046e+00 -1.873343669e+00 -2.154857857e+00 3.54 -1.132797573e+00 -1.819790304e+00 -2.097402083e+00 3.56 -1.093259102e+00 -1.767189122e+00 -2.040847693e+00 3.58 -1.054802861e+00 -1.715634856e+00 -1.985229963e+00 3.60 -1.017418187e+00 -1.665130604e+00 -1.930585973e+00 3.62 -9.811020915e-01 -1.615668927e+00 -1.876845435e+00 3.64 -9.456383885e-01 -1.567265253e+00 -1.823951070e+00 3.66 -9.110595693e-01 -1.519924068e+00 -1.771987878e+00 3.68 -8.774623639e-01 -1.473618376e+00 -1.721034097e+00 3.70 -8.448649846e-01 -1.428317292e+00 -1.671093951e+00 3.72 -8.133829463e-01 -1.383991925e+00 -1.622153620e+00 3.74 -7.831032662e-01 -1.340621758e+00 -1.574220730e+00 3.76 -7.541021935e-01 -1.298209573e+00 -1.527315538e+00 3.78 -7.265968579e-01 -1.256764100e+00 -1.481444274e+00 3.80 -7.003284100e-01 -1.216298779e+00 -1.436557632e+00 3.82 -6.750527422e-01 -1.176789468e+00 -1.392609688e+00 3.84 -6.505004920e-01 -1.138237984e+00 -1.349569466e+00 3.86 -6.263676804e-01 -1.100653627e+00 -1.307425461e+00 3.88 -6.024468436e-01 -1.064030056e+00 -1.266203907e+00 3.90 -5.786058909e-01 -1.028358877e+00 -1.225932028e+00 3.92 -5.547707259e-01 -9.934871028e-01 -1.186617716e+00 3.94 -5.309111199e-01 -9.594448862e-01 -1.148498537e+00 3.96 -5.070292948e-01 -9.263141875e-01 -1.111346946e+00 3.98 -4.831507116e-01 -8.940927930e-01 -1.075108397e+00 4.00 -4.592348752e-01 -8.628176587e-01 -1.039790920e+00 4.02 -4.353701966e-01 -8.324765929e-01 -1.005387004e+00 4.04 -4.117061485e-01 -8.031389654e-01 -9.717656934e-01 4.06 -3.884127413e-01 -7.749969794e-01 -9.388398635e-01 4.08 -3.656622150e-01 -7.479616517e-01 -9.067312530e-01 4.10 -3.435828234e-01 -7.218555671e-01 -8.755336350e-01 4.12 -3.222670213e-01 -6.965862949e-01 -8.452560234e-01 4.14 -3.017782853e-01 -6.720566490e-01 -8.159256236e-01 4.16 -2.821567749e-01 -6.482052259e-01 -7.876147052e-01 4.18 -2.634240239e-01 -6.251909234e-01 -7.604373014e-01 4.20 -2.455868202e-01 -6.024513278e-01 -7.345288147e-01 4.22 -2.286404023e-01 -5.798706182e-01 -7.096090945e-01 4.24 -2.125710817e-01 -5.573718908e-01 -6.854342972e-01 4.26 -1.973583918e-01 -5.349148625e-01 -6.618445994e-01 4.28 -1.829865371e-01 -5.124599656e-01 -6.387601325e-01 4.30 -1.699081096e-01 -4.899852578e-01 -6.159911466e-01 4.32 -1.586005307e-01 -4.675996215e-01 -5.933921722e-01 4.34 -1.479211483e-01 -4.454033585e-01 -5.708694570e-01 4.36 -1.378543644e-01 -4.234781813e-01 -5.483697961e-01 4.38 -1.283702999e-01 -4.018716793e-01 -5.258712885e-01 4.40 -1.194396208e-01 -3.806425435e-01 -5.033757225e-01 4.42 -1.110335825e-01 -3.598722869e-01 -4.808542180e-01 4.44 -1.031242143e-01 -3.396661292e-01 -4.583099974e-01 4.46 -9.568445489e-02 -3.201020451e-01 -4.359041702e-01 4.48 -8.868824733e-02 -3.012355388e-01 -4.137726322e-01 4.50 -8.211060035e-02 -2.831037229e-01 -3.920207796e-01 4.52 -7.593224574e-02 -2.657287479e-01 -3.707020442e-01 4.54 -7.047460410e-02 -2.491206810e-01 -3.499160535e-01 4.56 -6.581746005e-02 -2.332799184e-01 -3.297524744e-01 4.58 -6.143125753e-02 -2.181991935e-01 -3.102763959e-01 4.60 -5.730081750e-02 -2.038652487e-01 -2.915327200e-01 4.62 -5.341172380e-02 -1.902602231e-01 -2.735498647e-01 4.64 -4.975030101e-02 -1.773627994e-01 -2.563428789e-01 4.66 -4.630358972e-02 -1.651491448e-01 -2.399160536e-01 4.68 -4.305931949e-02 -1.535936821e-01 -2.242651067e-01 4.70 -4.000588076e-02 -1.426697183e-01 -2.093790086e-01 4.72 -3.713229621e-02 -1.323499499e-01 -1.952414955e-01 4.74 -3.442819196e-02 -1.226068701e-01 -1.818323261e-01 4.76 -3.188376904e-02 -1.134130920e-01 -1.691283187e-01 4.78 -2.948977501e-02 -1.047451767e-01 -1.571096625e-01 4.80 -2.723747645e-02 -9.656509608e-02 -1.457545968e-01 4.82 -2.511863221e-02 -9.015539717e-02 -1.363466741e-01 4.84 -2.312546769e-02 -8.429401144e-02 -1.274772758e-01 4.86 -2.125064998e-02 -7.876270842e-02 -1.191007564e-01 4.88 -1.948726394e-02 -7.354429340e-02 -1.111935054e-01 4.90 -1.782878947e-02 -6.862218648e-02 -1.037322841e-01 4.92 -1.626907978e-02 -6.398050512e-02 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