# 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 = Ag3Au # 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 5.902248913e+02 nan nan 0.92 5.367473999e+02 nan nan 0.94 4.890423145e+02 nan nan 0.96 4.464094655e+02 nan nan 0.98 4.082352101e+02 5.910705450e+02 nan 1.00 3.739854665e+02 5.415630543e+02 6.116292176e+02 1.02 3.431934116e+02 4.970311084e+02 5.615552799e+02 1.04 3.154500608e+02 4.569139485e+02 5.163894143e+02 1.06 2.903992030e+02 4.207152772e+02 4.755906225e+02 1.08 2.677274376e+02 3.879962269e+02 4.386795243e+02 1.10 2.471633079e+02 3.583720418e+02 4.052342167e+02 1.12 2.284661176e+02 3.314986868e+02 3.748794917e+02 1.14 2.114280461e+02 3.070739119e+02 3.472832437e+02 1.16 1.958655951e+02 2.848309193e+02 3.221516224e+02 1.18 1.816196948e+02 2.645323784e+02 2.992219152e+02 1.20 1.685503457e+02 2.459700789e+02 2.782630534e+02 1.22 1.565335643e+02 2.289605139e+02 2.590689047e+02 1.24 1.454629908e+02 2.133409685e+02 2.414570677e+02 1.26 1.352437490e+02 1.989667553e+02 2.252660065e+02 1.28 1.257926728e+02 1.857111057e+02 2.103520020e+02 1.30 1.170375618e+02 1.734626733e+02 1.965873523e+02 1.32 1.089142210e+02 1.621234525e+02 1.838604020e+02 1.34 1.013654861e+02 1.516062196e+02 1.720712292e+02 1.36 9.434072941e+01 1.418327857e+02 1.611303325e+02 1.38 8.779642811e+01 1.327363202e+02 1.509596960e+02 1.40 8.169306731e+01 1.242568052e+02 1.414896153e+02 1.42 7.599509471e+01 1.163408075e+02 1.326580077e+02 1.44 7.067078150e+01 1.089409180e+02 1.244092095e+02 1.46 6.569279134e+01 1.020145588e+02 1.166937748e+02 1.48 6.103575547e+01 9.552381289e+01 1.094687997e+02 1.50 5.667676974e+01 8.943578318e+01 1.026951038e+02 1.52 5.259477334e+01 8.372057532e+01 9.633765901e+01 1.54 4.877065929e+01 7.835067878e+01 9.036501622e+01 1.56 4.518778034e+01 7.330231557e+01 8.474733249e+01 1.58 4.183069293e+01 6.855349919e+01 7.946131179e+01 1.60 3.868494395e+01 6.408431442e+01 7.448402345e+01 1.62 3.573707935e+01 5.987596696e+01 6.979428761e+01 1.64 3.297489286e+01 5.591176396e+01 6.537371505e+01 1.66 3.038671003e+01 5.217741284e+01 6.120520865e+01 1.68 2.796207575e+01 4.865928599e+01 5.727291457e+01 1.70 2.569142709e+01 4.534452752e+01 5.356235414e+01 1.72 2.356552574e+01 4.222105838e+01 5.006076736e+01 1.74 2.152677190e+01 3.927810648e+01 4.675598861e+01 1.76 1.966428395e+01 3.650542848e+01 4.363665692e+01 1.78 1.791881474e+01 3.389347262e+01 4.069214415e+01 1.80 1.628442413e+01 3.143330902e+01 3.791309410e+01 1.82 1.475435022e+01 2.911656960e+01 3.529044200e+01 1.84 1.332305111e+01 2.693539597e+01 3.281570995e+01 1.86 1.198497341e+01 2.488203773e+01 3.048054874e+01 1.88 1.073496587e+01 2.294960578e+01 2.827757982e+01 1.90 9.568228814e+00 2.108344208e+01 2.620018745e+01 1.92 8.480156266e+00 1.937185130e+01 2.424172376e+01 1.94 7.466406182e+00 1.776074634e+01 2.239590996e+01 1.96 6.522880734e+00 1.624481511e+01 2.060804967e+01 1.98 5.645516978e+00 1.481870555e+01 1.896718963e+01 2.00 4.830821035e+00 1.347807786e+01 1.742016616e+01 2.02 4.075325002e+00 1.221854313e+01 1.596217710e+01 2.04 3.375557161e+00 1.103592337e+01 1.458869272e+01 2.06 2.728488753e+00 9.926271287e+00 1.329544269e+01 2.08 2.130857408e+00 8.885852102e+00 1.207839521e+01 2.10 1.580163484e+00 7.911127169e+00 1.093362811e+01 2.12 1.073697935e+00 6.998739279e+00 9.856866857e+00 2.14 6.088635657e-01 6.145499446e+00 8.845582330e+00 2.16 1.831844876e-01 5.348137653e+00 7.896509075e+00 2.18 -2.057002034e-01 4.603833564e+00 7.006544864e+00 2.20 -5.600424400e-01 3.910057418e+00 6.172739269e+00 2.22 -8.817260008e-01 3.263862087e+00 5.392283364e+00 2.24 -1.173053128e+00 2.662984083e+00 4.662500419e+00 2.26 -1.436011914e+00 2.105145828e+00 3.980837190e+00 2.28 -1.672336410e+00 1.588052152e+00 3.344773333e+00 2.30 -1.883907714e+00 1.109509908e+00 2.752039015e+00 2.32 -2.072408633e+00 6.674224620e-01 2.200444991e+00 2.34 -2.239439925e+00 2.597846878e-01 1.687863304e+00 2.36 -2.386521635e+00 -1.153215749e-01 1.212258287e+00 2.38 -2.515162447e+00 -4.597316359e-01 7.716817630e-01 2.40 -2.626681599e+00 -7.751352263e-01 3.642686320e-01 2.42 -2.722329497e+00 -1.063192037e+00 -1.176715396e-02 2.44 -2.803596247e+00 -1.325596515e+00 -3.581362774e-01 2.46 -2.871372958e+00 -1.563912294e+00 -6.764773069e-01 2.48 -2.926668941e+00 -1.779481890e+00 -9.681565948e-01 2.50 -2.970510520e+00 -1.973817564e+00 -1.235210063e+00 2.52 -3.003809125e+00 -2.148261382e+00 -1.478776817e+00 2.54 -3.027541548e+00 -2.304093798e+00 -1.700142079e+00 2.56 -3.042542053e+00 -2.442535486e+00 -1.900613480e+00 2.58 -3.049590063e+00 -2.564748905e+00 -2.081511696e+00 2.60 -3.049411845e+00 -2.671839811e+00 -2.244046066e+00 2.62 -3.042683169e+00 -2.764858722e+00 -2.389371540e+00 2.64 -3.030031972e+00 -2.844802377e+00 -2.518590180e+00 2.66 -3.012040974e+00 -2.912615209e+00 -2.632752576e+00 2.68 -2.989250270e+00 -2.969191951e+00 -2.732859208e+00 2.70 -2.962159841e+00 -3.015311558e+00 -2.819861766e+00 2.72 -2.931231996e+00 -3.051755467e+00 -2.894664460e+00 2.74 -2.896893732e+00 -3.079263442e+00 -2.958125322e+00 2.76 -2.859539007e+00 -3.098646039e+00 -3.011057874e+00 2.78 -2.819571278e+00 -3.110604796e+00 -3.054213428e+00 2.80 -2.777398975e+00 -3.115834761e+00 -3.088428886e+00 2.82 -2.733222095e+00 -3.114793321e+00 -3.114215919e+00 2.84 -2.687055622e+00 -3.108026838e+00 -3.132306756e+00 2.86 -2.639297817e+00 -3.096045918e+00 -3.143310098e+00 2.88 -2.590274570e+00 -3.079327184e+00 -3.147799589e+00 2.90 -2.540025109e+00 -3.058356677e+00 -3.146313954e+00 2.92 -2.488933339e+00 -3.033962625e+00 -3.139358532e+00 2.94 -2.437244213e+00 -3.006038255e+00 -3.127406794e+00 2.96 -2.385116214e+00 -2.974944722e+00 -3.110901854e+00 2.98 -2.332859529e+00 -2.941017363e+00 -3.090257971e+00 3.00 -2.280513167e+00 -2.904567217e+00 -3.065862017e+00 3.02 -2.228117519e+00 -2.865882531e+00 -3.038074925e+00 3.04 -2.175785289e+00 -2.825230197e+00 -3.007233093e+00 3.06 -2.123618365e+00 -2.782855556e+00 -2.973649751e+00 3.08 -2.071724860e+00 -2.738949864e+00 -2.937616305e+00 3.10 -2.020377366e+00 -2.693469242e+00 -2.899403560e+00 3.12 -1.969430811e+00 -2.646917002e+00 -2.859263009e+00 3.14 -1.918952746e+00 -2.599334817e+00 -2.817426448e+00 3.16 -1.869002781e+00 -2.550865127e+00 -2.774132790e+00 3.18 -1.819635634e+00 -2.501847453e+00 -2.729295805e+00 3.20 -1.770895503e+00 -2.452405985e+00 -2.683293402e+00 3.22 -1.722939629e+00 -2.402667527e+00 -2.636768961e+00 3.24 -1.675712998e+00 -2.352746597e+00 -2.589380779e+00 3.26 -1.629218680e+00 -2.302747932e+00 -2.541338027e+00 3.28 -1.583485108e+00 -2.252767215e+00 -2.492818003e+00 3.30 -1.538533306e+00 -2.202891695e+00 -2.443939599e+00 3.32 -1.494385353e+00 -2.153200673e+00 -2.394816855e+00 3.34 -1.451072355e+00 -2.103766108e+00 -2.345554196e+00 3.36 -1.408593536e+00 -2.054653472e+00 -2.296247332e+00 3.38 -1.366940236e+00 -2.005921974e+00 -2.246983854e+00 3.40 -1.326099954e+00 -1.957649651e+00 -2.197843863e+00 3.42 -1.286073580e+00 -1.910202837e+00 -2.148900539e+00 3.44 -1.246897497e+00 -1.863261788e+00 -2.100220252e+00 3.46 -1.208592616e+00 -1.816865877e+00 -2.051863252e+00 3.48 -1.171136303e+00 -1.771051100e+00 -2.003884705e+00 3.50 -1.134518886e+00 -1.725847744e+00 -1.956333814e+00 3.52 -1.098756918e+00 -1.681284357e+00 -1.909255015e+00 3.54 -1.063828139e+00 -1.637383937e+00 -1.862689034e+00 3.56 -1.029709288e+00 -1.594167969e+00 -1.816670570e+00 3.58 -9.963406407e-01 -1.551653609e+00 -1.771233009e+00 3.60 -9.637756403e-01 -1.509853274e+00 -1.726402805e+00 3.62 -9.320888436e-01 -1.468787772e+00 -1.682206945e+00 3.64 -9.009950455e-01 -1.428471289e+00 -1.638664889e+00 3.66 -8.705245705e-01 -1.388904676e+00 -1.595797742e+00 3.68 -8.409601194e-01 -1.350074066e+00 -1.553619170e+00 3.70 -8.125677985e-01 -1.311967451e+00 -1.512141628e+00 3.72 -7.854336417e-01 -1.274594257e+00 -1.471385566e+00 3.74 -7.595061405e-01 -1.237972069e+00 -1.431361810e+00 3.76 -7.347804900e-01 -1.202103390e+00 -1.392071590e+00 3.78 -7.115003049e-01 -1.166989027e+00 -1.353500247e+00 3.80 -6.891481114e-01 -1.132619585e+00 -1.315633872e+00 3.82 -6.671870134e-01 -1.098986179e+00 -1.278483475e+00 3.84 -6.452488222e-01 -1.066078201e+00 -1.242073012e+00 3.86 -6.230964239e-01 -1.033894631e+00 -1.206395042e+00 3.88 -6.005932383e-01 -1.002451355e+00 -1.171452430e+00 3.90 -5.776684398e-01 -9.716844387e-01 -1.137237044e+00 3.92 -5.542931362e-01 -9.415146913e-01 -1.103747355e+00 3.94 -5.305519886e-01 -9.119442371e-01 -1.071159886e+00 3.96 -5.065485029e-01 -8.829219642e-01 -1.039316940e+00 3.98 -4.823859137e-01 -8.546734267e-01 -1.008186655e+00 4.00 -4.580552217e-01 -8.273778507e-01 -9.777179304e-01 4.02 -4.337732380e-01 -8.011749198e-01 -9.479476061e-01 4.04 -4.098143142e-01 -7.762223756e-01 -9.186313890e-01 4.06 -3.863865485e-01 -7.525562335e-01 -8.897885776e-01 4.08 -3.636442633e-01 -7.299854109e-01 -8.616634651e-01 4.10 -3.416983359e-01 -7.084422410e-01 -8.344383555e-01 4.12 -3.206247310e-01 -6.874746162e-01 -8.082497763e-01 4.14 -3.004715334e-01 -6.666971427e-01 -7.832492088e-01 4.16 -2.812647315e-01 -6.458448419e-01 -7.594140678e-01 4.18 -2.630129594e-01 -6.247474153e-01 -7.368590841e-01 4.20 -2.457113747e-01 -6.033081034e-01 -7.155095512e-01 4.22 -2.293448170e-01 -5.814863977e-01 -6.948184848e-01 4.24 -2.138903728e-01 -5.592839807e-01 -6.743809109e-01 4.26 -1.993194484e-01 -5.367129115e-01 -6.539136063e-01 4.28 -1.855994368e-01 -5.137933368e-01 -6.332297608e-01 4.30 -1.726950511e-01 -4.906549318e-01 -6.122180459e-01 4.32 -1.605693824e-01 -4.674447627e-01 -5.908254022e-01 4.34 -1.491847329e-01 -4.442490204e-01 -5.690429551e-01 4.36 -1.385032663e-01 -4.212877279e-01 -5.468849406e-01 4.38 -1.284875083e-01 -3.987509904e-01 -5.243784898e-01 4.40 -1.191007249e-01 -3.767834247e-01 -5.016239363e-01 4.42 -1.103072033e-01 -3.554923523e-01 -4.786491416e-01 4.44 -1.020724535e-01 -3.349546548e-01 -4.555670770e-01 4.46 -9.436334788e-02 -3.152224983e-01 -4.326367508e-01 4.48 -8.714821000e-02 -2.963281054e-01 -4.100616375e-01 4.50 -8.039686367e-02 -2.782877193e-01 -3.879981710e-01 4.52 -7.408350766e-02 -2.611048925e-01 -3.665640520e-01 4.54 -6.839352863e-02 -2.447732064e-01 -3.458452232e-01 4.56 -6.336053370e-02 -2.292785152e-01 -3.259017164e-01 4.58 -5.864513197e-02 -2.146007874e-01 -3.067725416e-01 4.60 -5.422774989e-02 -2.007156125e-01 -2.884797654e-01 4.62 -5.008993951e-02 -1.875954287e-01 -2.710319065e-01 4.64 -4.621433028e-02 -1.752105186e-01 -2.544267564e-01 4.66 -4.258457945e-02 -1.635298109e-01 -2.386537138e-01 4.68 -3.918532171e-02 -1.525215207e-01 -2.236957096e-01 4.70 -3.600211899e-02 -1.421536572e-01 -2.095307890e-01 4.72 -3.302141121e-02 -1.323944215e-01 -1.961334065e-01 4.74 -3.023046820e-02 -1.232125149e-01 -1.834754826e-01 4.76 -2.761734320e-02 -1.145773742e-01 -1.715272585e-01 4.78 -2.517082775e-02 -1.064593440e-01 -1.602579833e-01 4.80 -2.288040858e-02 -9.881558715e-02 -1.496364627e-01 4.82 -2.073622656e-02 -9.205319328e-02 -1.396314938e-01 4.84 -1.872903758e-02 -8.586054785e-02 -1.302122051e-01 4.86 -1.685017539e-02 -8.003625838e-02 -1.213483179e-01 4.88 -1.509151632e-02 -7.455936990e-02 -1.130103432e-01 4.90 -1.344544599e-02 -6.940995306e-02 -1.051697264e-01 4.92 -1.190482796e-02 -6.456908630e-02 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