# 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 = Au3Ta # 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 4.734302780e+02 nan nan 1.16 4.372433365e+02 nan nan 1.18 4.039560824e+02 nan nan 1.20 3.733089431e+02 nan nan 1.22 3.450666258e+02 nan nan 1.24 3.190176860e+02 nan nan 1.26 2.949727146e+02 nan nan 1.28 2.727610853e+02 4.132973710e+02 4.710766349e+02 1.30 2.522269187e+02 3.843414350e+02 4.387429709e+02 1.32 2.332263258e+02 3.574854920e+02 4.087197066e+02 1.34 2.156276084e+02 3.325618859e+02 3.808209401e+02 1.36 1.993131251e+02 3.094135313e+02 3.548734751e+02 1.38 1.841800978e+02 2.878941390e+02 3.307200446e+02 1.40 1.701392107e+02 2.678695739e+02 3.082215976e+02 1.42 1.571117918e+02 2.492191327e+02 2.872567067e+02 1.44 1.450266595e+02 2.318363731e+02 2.677186493e+02 1.46 1.338171891e+02 2.156289387e+02 2.495114082e+02 1.48 1.234191028e+02 2.005166825e+02 2.325454936e+02 1.50 1.137695330e+02 1.864283714e+02 2.167347165e+02 1.52 1.048074449e+02 1.732982217e+02 2.019949781e+02 1.54 9.647492024e+01 1.610633288e+02 1.882449823e+02 1.56 8.871858237e+01 1.496622907e+02 1.754078243e+02 1.58 8.149063973e+01 1.390349498e+02 1.634124157e+02 1.60 7.474935544e+01 1.291230617e+02 1.521941827e+02 1.62 6.845891645e+01 1.198714524e+02 1.416950475e+02 1.64 6.258869875e+01 1.112290719e+02 1.318630757e+02 1.66 5.711202983e+01 1.031495070e+02 1.226520632e+02 1.68 5.200646977e+01 9.559085324e+01 1.140209612e+02 1.70 4.725531890e+01 8.851515118e+01 1.059329686e+02 1.72 4.286864832e+01 8.188774516e+01 9.835439074e+01 1.74 3.883074143e+01 7.567681813e+01 9.125357611e+01 1.76 3.511433460e+01 6.985309520e+01 8.460018602e+01 1.78 3.169378998e+01 6.438955562e+01 7.836487748e+01 1.80 2.854540720e+01 5.926108745e+01 7.251934774e+01 1.82 2.564748072e+01 5.444448878e+01 6.703662164e+01 1.84 2.298016387e+01 4.992157352e+01 6.189142564e+01 1.86 2.052525035e+01 4.567735713e+01 5.706048178e+01 1.88 1.826597569e+01 4.172031598e+01 5.252432387e+01 1.90 1.618689324e+01 3.803878004e+01 4.826735108e+01 1.92 1.427381343e+01 3.461536476e+01 4.428359756e+01 1.94 1.251376254e+01 3.143467278e+01 4.057685827e+01 1.96 1.089493006e+01 2.848284564e+01 3.712796020e+01 1.98 9.406601985e+00 2.574705995e+01 3.391832812e+01 2.00 8.039088085e+00 2.321505468e+01 3.093064442e+01 2.02 6.783646138e+00 2.087476688e+01 2.814893700e+01 2.04 5.632398022e+00 1.871413073e+01 2.555859479e+01 2.06 4.578228898e+00 1.672105887e+01 2.314631405e+01 2.08 3.614663338e+00 1.488357662e+01 2.090001091e+01 2.10 2.735719688e+00 1.319004070e+01 1.880873553e+01 2.12 1.935754832e+00 1.162936394e+01 1.686260021e+01 2.14 1.209322436e+00 1.019118629e+01 1.505270849e+01 2.16 5.510730483e-01 8.865965861e+00 1.337105908e+01 2.18 -4.428181740e-02 7.644992437e+00 1.181040462e+01 2.20 -5.819376805e-01 6.520344600e+00 1.036406511e+01 2.22 -1.066915522e+00 5.484815776e+00 9.025718863e+00 2.24 -1.503962847e+00 4.531829642e+00 7.789211084e+00 2.26 -1.897468468e+00 3.655356464e+00 6.648422905e+00 2.28 -2.251300761e+00 2.849835561e+00 5.597227410e+00 2.30 -2.569036523e+00 2.110107111e+00 4.629530698e+00 2.32 -2.854002402e+00 1.431357046e+00 3.739368882e+00 2.34 -3.109094049e+00 8.090787268e-01 2.921020219e+00 2.36 -3.336837272e+00 2.390527968e-01 2.169098209e+00 2.38 -3.539451582e+00 -2.826573609e-01 1.478608346e+00 2.40 -3.718896827e+00 -7.597011088e-01 8.449674213e-01 2.42 -3.876726113e+00 -1.195435478e+00 2.639936669e-01 2.44 -4.014225915e+00 -1.592927042e+00 -2.681216138e-01 2.46 -4.132653013e+00 -1.954964837e+00 -7.548518848e-01 2.48 -4.233235076e+00 -2.283992507e+00 -1.199376277e+00 2.50 -4.317164382e+00 -2.582327068e+00 -1.604619107e+00 2.52 -4.385592063e+00 -2.852253821e+00 -1.973284837e+00 2.54 -4.439623014e+00 -3.095864096e+00 -2.307886499e+00 2.56 -4.480312771e+00 -3.315093300e+00 -2.610767314e+00 2.58 -4.508667934e+00 -3.511751486e+00 -2.884092740e+00 2.60 -4.525650962e+00 -3.687543770e+00 -3.129815292e+00 2.62 -4.532188355e+00 -3.843997249e+00 -3.349964066e+00 2.64 -4.529248159e+00 -3.982336018e+00 -3.546471595e+00 2.66 -4.517905087e+00 -4.103729488e+00 -3.721152666e+00 2.68 -4.498768683e+00 -4.209315578e+00 -3.875713444e+00 2.70 -4.472442653e+00 -4.300175658e+00 -4.011756942e+00 2.72 -4.439560683e+00 -4.377319874e+00 -4.130771005e+00 2.74 -4.400762455e+00 -4.441682483e+00 -4.233909261e+00 2.76 -4.356671330e+00 -4.494124626e+00 -4.322096333e+00 2.78 -4.307875877e+00 -4.535441232e+00 -4.396259534e+00 2.80 -4.254910875e+00 -4.566369229e+00 -4.457330606e+00 2.82 -4.198233299e+00 -4.587595288e+00 -4.506241737e+00 2.84 -4.138240372e+00 -4.599762400e+00 -4.543922742e+00 2.86 -4.075275964e+00 -4.603486664e+00 -4.571297411e+00 2.88 -4.009634200e+00 -4.599410411e+00 -4.589276537e+00 2.90 -3.941565939e+00 -4.588106847e+00 -4.598746040e+00 2.92 -3.871286606e+00 -4.570048260e+00 -4.600550735e+00 2.94 -3.798983926e+00 -4.545535076e+00 -4.595476640e+00 2.96 -3.724824534e+00 -4.514890243e+00 -4.584339764e+00 2.98 -3.648958983e+00 -4.478457032e+00 -4.567868407e+00 3.00 -3.571525056e+00 -4.436596557e+00 -4.546412612e+00 3.02 -3.492649593e+00 -4.389684110e+00 -4.520285490e+00 3.04 -3.412449157e+00 -4.338097836e+00 -4.489774821e+00 3.06 -3.331029945e+00 -4.282217204e+00 -4.455147518e+00 3.08 -3.248487367e+00 -4.222411171e+00 -4.416654636e+00 3.10 -3.164905702e+00 -4.159032191e+00 -4.374535543e+00 3.12 -3.080358226e+00 -4.092416725e+00 -4.329020669e+00 3.14 -2.994908128e+00 -4.022879185e+00 -4.280326266e+00 3.16 -2.908610489e+00 -3.950709329e+00 -4.228647551e+00 3.18 -2.821515474e+00 -3.876173991e+00 -4.174173263e+00 3.20 -2.733672847e+00 -3.799522503e+00 -4.117086754e+00 3.22 -2.645137760e+00 -3.720994432e+00 -4.057564446e+00 3.24 -2.555977698e+00 -3.640827852e+00 -3.995774629e+00 3.26 -2.466280275e+00 -3.559266459e+00 -3.931876685e+00 3.28 -2.376161427e+00 -3.476564167e+00 -3.866020776e+00 3.30 -2.285773287e+00 -3.392986330e+00 -3.798347986e+00 3.32 -2.195310862e+00 -3.308807359e+00 -3.728990830e+00 3.34 -2.105016441e+00 -3.224305037e+00 -3.658074086e+00 3.36 -2.015180679e+00 -3.139752394e+00 -3.585715846e+00 3.38 -1.926139414e+00 -3.055408338e+00 -3.512028715e+00 3.40 -1.838265736e+00 -2.971508377e+00 -3.437121075e+00 3.42 -1.751957363e+00 -2.888256689e+00 -3.361098298e+00 3.44 -1.667620129e+00 -2.805820460e+00 -3.284063809e+00 3.46 -1.585649040e+00 -2.724326999e+00 -3.206119807e+00 3.48 -1.506408881e+00 -2.643863710e+00 -3.127367521e+00 3.50 -1.430216471e+00 -2.564480590e+00 -3.047906857e+00 3.52 -1.357326480e+00 -2.486194743e+00 -2.967835472e+00 3.54 -1.287922138e+00 -2.408996293e+00 -2.887247413e+00 3.56 -1.222111447e+00 -2.332855091e+00 -2.806231761e+00 3.58 -1.159928694e+00 -2.257727754e+00 -2.724871792e+00 3.60 -1.101340440e+00 -2.183564666e+00 -2.643245240e+00 3.62 -1.046254770e+00 -2.110316693e+00 -2.561426094e+00 3.64 -9.945324002e-01 -2.037941447e+00 -2.479488106e+00 3.66 -9.459983998e-01 -1.966408956e+00 -2.397509803e+00 3.68 -9.004534572e-01 -1.895706578e+00 -2.315580508e+00 3.70 -8.576839920e-01 -1.825843004e+00 -2.233806593e+00 3.72 -8.174706980e-01 -1.756851100e+00 -2.152317094e+00 3.74 -7.795953865e-01 -1.688789368e+00 -2.071267859e+00 3.76 -7.438461968e-01 -1.621741794e+00 -1.990843480e+00 3.78 -7.100213720e-01 -1.555815926e+00 -1.911256544e+00 3.80 -6.779318642e-01 -1.491139147e+00 -1.832743989e+00 3.82 -6.474030512e-01 -1.427853261e+00 -1.755560674e+00 3.84 -6.182758301e-01 -1.366107727e+00 -1.679970633e+00 3.86 -5.904073119e-01 -1.306052023e+00 -1.606236736e+00 3.88 -5.636712864e-01 -1.247827762e+00 -1.534609724e+00 3.90 -5.379585614e-01 -1.191561245e+00 -1.465317619e+00 3.92 -5.131772124e-01 -1.137357072e+00 -1.398556506e+00 3.94 -4.892527115e-01 -1.085293332e+00 -1.334483441e+00 3.96 -4.661278276e-01 -1.035418653e+00 -1.273211982e+00 3.98 -4.437621642e-01 -9.877512510e-01 -1.214810506e+00 4.00 -4.221311583e-01 -9.422798181e-01 -1.159303163e+00 4.02 -4.012243927e-01 -8.989660103e-01 -1.106673056e+00 4.04 -3.810431408e-01 -8.577481318e-01 -1.056867102e+00 4.06 -3.615971736e-01 -8.185456136e-01 -1.009801945e+00 4.08 -3.429009980e-01 -7.812638820e-01 -9.653703371e-01 4.10 -3.249698358e-01 -7.457992736e-01 -9.234474721e-01 4.12 -3.078157451e-01 -7.120437392e-01 -8.838968939e-01 4.14 -2.914443139e-01 -6.798890973e-01 -8.465757099e-01 4.16 -2.758522886e-01 -6.492307598e-01 -8.113389766e-01 4.18 -2.610263665e-01 -6.199707910e-01 -7.780432137e-01 4.20 -2.469432042e-01 -5.920202570e-01 -7.465490775e-01 4.22 -2.335705317e-01 -5.653008119e-01 -7.167232726e-01 4.24 -2.208690999e-01 -5.397454912e-01 -6.884398065e-01 4.26 -2.087951804e-01 -5.152986958e-01 -6.615807029e-01 4.28 -1.973032639e-01 -4.919153929e-01 -6.360362847e-01 4.30 -1.863486846e-01 -4.695596053e-01 -6.117051309e-01 4.32 -1.758899404e-01 -4.482023301e-01 -5.884937955e-01 4.34 -1.658905532e-01 -4.278190859e-01 -5.663163640e-01 4.36 -1.563203660e-01 -4.083873392e-01 -5.450939062e-01 4.38 -1.471562345e-01 -3.898840753e-01 -5.247538734e-01 4.40 -1.383820925e-01 -3.722837546e-01 -5.052294736e-01 4.42 -1.299884376e-01 -3.555568331e-01 -4.864590530e-01 4.44 -1.219712954e-01 -3.396689378e-01 -4.683855015e-01 4.46 -1.143307796e-01 -3.245806916e-01 -4.509556949e-01 4.48 -1.070693935e-01 -3.102481024e-01 -4.341199852e-01 4.50 -1.001902479e-01 -2.966233733e-01 -4.178317434e-01 4.52 -9.369537551e-02 -2.836559712e-01 -4.020469588e-01 4.54 -8.758430662e-02 -2.712937973e-01 -3.867239179e-01 4.56 -8.185302848e-02 -2.594843330e-01 -3.718229162e-01 4.58 -7.649339300e-02 -2.481756745e-01 -3.573060788e-01 4.60 -7.149298168e-02 -2.373174072e-01 -3.431372402e-01 4.62 -6.683538535e-02 -2.268613111e-01 -3.292819117e-01 4.64 -6.250080268e-02 -2.167619087e-01 -3.157073400e-01 4.66 -5.846684170e-02 -2.069768863e-01 -3.023826616e-01 4.68 -5.470941905e-02 -1.974674263e-01 -2.892791610e-01 4.70 -5.120367810e-02 -1.881984876e-01 -2.763706318e-01 4.72 -4.792463201e-02 -1.791390660e-01 -2.636338438e-01 4.74 -4.484836388e-02 -1.702624582e-01 -2.510491043e-01 4.76 -4.195257619e-02 -1.615465420e-01 -2.386008999e-01 4.78 -3.921680207e-02 -1.529740708e-01 -2.262785898e-01 4.80 -3.662280345e-02 -1.445329671e-01 -2.140771093e-01 4.82 -3.415483160e-02 -1.362165967e-01 -2.019976294e-01 4.84 -3.179976794e-02 -1.280239586e-01 -1.900481028e-01 4.86 -2.954715922e-02 -1.199597750e-01 -1.782436181e-01 4.88 -2.738915786e-02 -1.120344037e-01 -1.666064804e-01 4.90 -2.532037518e-02 -1.042635328e-01 -1.551659427e-01 4.92 -2.333765375e-02 -9.666761785e-02 -1.439575295e-01 4.94 -2.143976456e-02 -8.927104482e-02 -1.330219280e-01 4.96 -1.962681795e-02 -8.210102767e-02 -1.224034620e-01 4.98 -1.790024714e-02 -7.518628429e-02 -1.121482132e-01 5.00 -1.626239102e-02 -6.855556601e-02 -1.023019060e-01 5.02 -1.471585029e-02 -6.223614386e-02 -9.290770637e-02 5.04 -1.326307422e-02 -5.625236231e-02 -8.400411203e-02 5.06 -1.190600059e-02 -5.062437814e-02 -7.562310651e-02 5.08 -1.064577083e-02 -4.536718635e-02 -6.778872615e-02 5.10 -9.482534227e-03 -4.048981786e-02 -6.051614479e-02 5.12 -8.415346430e-03 -3.599528478e-02 -5.381131127e-02 5.14 -7.442158000e-03 -3.188103290e-02 -4.767113687e-02 5.16 -6.559881133e-03 -2.813895011e-02 -4.208416408e-02 5.18 -5.764517109e-03 -2.475605777e-02 -3.703160332e-02 5.20 -5.051324508e-03 -2.171534349e-02 -3.248857538e-02 5.22 -4.415008321e-03 -1.899637305e-02 -2.842501000e-02 5.24 -3.849912367e-03 -1.657713192e-02 -2.480838895e-02 5.26 -3.350201012e-03 -1.443443777e-02 -2.160436958e-02 5.28 -2.910020390e-03 -1.254453377e-02 -1.877749248e-02 5.30 -2.523633374e-03 -1.088378501e-02 -1.629273134e-02 5.32 -2.185526058e-03 -9.429229099e-03 -1.411604168e-02 5.34 -1.890486238e-03 -8.158986205e-03 -1.221489045e-02 5.36 -1.633656222e-03 -7.052542153e-03 -1.055871370e-02 5.38 -1.410563454e-03 -6.090922685e-03 -9.119201555e-03 5.40 -1.217132860e-03 -5.256778595e-03 -7.870442570e-03 5.42 -1.049684882e-03 -4.534401105e-03 -6.788958415e-03 5.44 -9.049228519e-04 -3.909685170e-03 -5.853656821e-03 5.46 -7.799129169e-04 -3.370056006e-03 -5.045726865e-03 5.48 -6.720591726e-04 -2.904371506e-03 -4.348496375e-03 5.50 -5.790761464e-04 -2.502810633e-03 -3.747267119e-03 5.52 -4.989602647e-04 -2.156755519e-03 -3.229139772e-03 5.54 -4.299615104e-04 -1.858672969e-03 -2.782836696e-03 5.56 -3.705561139e-04 -1.601999395e-03 -2.398533413e-03 5.58 -3.194208346e-04 -1.381031841e-03 -2.067690934e-03 5.60 -2.754091620e-04 -1.190826736e-03 -1.782907795e-03 5.62 -2.375295984e-04 -1.027107217e-03 -1.537780568e-03 5.64 -2.049260623e-04 -8.861793087e-04 -1.326778444e-03 5.66 -1.768603662e-04 -7.648568363e-04 -1.145130868e-03 5.68 -1.526966669e-04 -6.603946948e-04 -9.887276557e-04 5.70 -1.318877533e-04 -5.704299293e-04 -8.540307931e-04 5.72 -1.139630152e-04 -4.929299938e-04 -7.379969770e-04 5.74 -9.851793483e-05 -4.261475183e-04 -6.380098942e-04 5.76 -8.520494006e-05 -3.685809145e-04 -5.518212392e-04 5.78 -7.372546844e-05 -3.189401740e-04 -4.774995053e-04 5.80 -6.382309809e-05 -2.761172521e-04 -4.133856423e-04 5.82 -5.527761520e-05 -2.391604804e-04 -3.580547418e-04 5.84 -4.789989925e-05 -2.072524970e-04 -3.102829944e-04 5.86 -4.152751956e-05 -1.796912422e-04 -2.690192325e-04 5.88 -3.602094883e-05 -1.558736121e-04 -2.333604546e-04 5.90 -3.126031019e-05 -1.352814122e-04 -2.025307943e-04 5.92 -2.714258480e-05 -1.174692987e-04 -1.758634632e-04 5.94 -2.357921616e-05 -1.020544297e-04 -1.527852564e-04 5.96 -2.049405563e-05 -8.870759073e-05 -1.328032639e-04 5.98 -1.782160128e-05 -7.714558498e-05 -1.154934769e-04 6.00 -1.550548822e-05 -6.712471093e-05 -1.004910214e-04