# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Au # implementation = 2004--Zhou-X-W--Au--LAMMPS--ipr1 # composition = Au # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 1.248263356e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.134125647e+03 nan 0.84 nan nan nan nan nan nan nan nan 1.031693408e+03 nan 0.86 nan nan nan nan nan 8.123240731e+02 nan nan 9.395962642e+02 nan 0.88 nan nan nan nan nan 7.413220520e+02 nan nan 8.566509564e+02 nan 0.90 nan nan nan nan nan 6.772764537e+02 nan nan 7.818294306e+02 nan 0.92 nan nan nan nan nan 6.194086832e+02 nan nan 7.142286514e+02 nan 0.94 nan nan nan nan nan 5.670337590e+02 nan nan 6.530544543e+02 nan 0.96 nan nan nan nan nan 5.195539380e+02 nan nan 5.976116973e+02 nan 0.98 nan nan nan 1.262910458e+03 1.262933434e+03 4.764476763e+02 nan nan 5.472923608e+02 8.081842247e+02 1.00 nan 7.286719335e+02 nan 1.166118047e+03 1.166141604e+03 4.372570493e+02 7.510601121e+02 nan 5.015628000e+02 7.434225723e+02 1.02 nan 6.698615096e+02 nan 1.077567789e+03 1.077590082e+03 4.015797704e+02 6.911023308e+02 nan 4.599537574e+02 6.843535604e+02 1.04 nan 6.161816877e+02 nan 9.964577291e+02 9.964772939e+02 3.690613499e+02 6.363542255e+02 nan 4.220509596e+02 6.304106205e+02 1.06 nan 5.671313034e+02 nan 9.220773475e+02 9.220939638e+02 3.393853796e+02 5.863114168e+02 nan 3.874870294e+02 5.810859076e+02 1.08 nan 5.222624808e+02 nan 8.537957398e+02 8.538106445e+02 3.122679453e+02 5.405193159e+02 nan 3.559352154e+02 5.359304147e+02 1.10 nan 4.811777059e+02 7.019056157e+02 7.910477679e+02 7.910631957e+02 2.874557981e+02 4.985698719e+02 7.283939255e+02 3.271047847e+02 4.945486288e+02 1.12 7.333075476e+02 4.435238032e+02 6.498174558e+02 7.333240974e+02 7.333420258e+02 2.647256293e+02 4.600994048e+02 6.746226220e+02 3.007367908e+02 4.565890668e+02 1.14 6.801463099e+02 4.089857342e+02 6.018914507e+02 6.801703126e+02 6.801911612e+02 2.438834606e+02 4.247858440e+02 6.251386985e+02 2.766010503e+02 4.217378181e+02 1.16 6.311497945e+02 3.772799322e+02 5.577607177e+02 6.311779577e+02 6.312004893e+02 2.247589768e+02 3.923406693e+02 5.795613802e+02 2.544900025e+02 3.897113270e+02 1.18 5.859560246e+02 3.481499456e+02 5.170955121e+02 5.859835050e+02 5.860057205e+02 2.071998697e+02 3.625049075e+02 5.375489012e+02 2.342160409e+02 3.602567319e+02 1.20 5.442369437e+02 3.213637186e+02 4.795946657e+02 5.442598970e+02 5.442798499e+02 1.910658633e+02 3.350455149e+02 4.987918346e+02 2.156087738e+02 3.331479719e+02 1.22 5.056948842e+02 2.967131540e+02 4.449850329e+02 5.057114887e+02 5.057275949e+02 1.762278723e+02 3.097546108e+02 4.630097462e+02 1.985149122e+02 3.081821432e+02 1.24 4.700603405e+02 2.740118026e+02 4.130191425e+02 4.700702184e+02 4.700814429e+02 1.625684061e+02 2.864470682e+02 4.299480229e+02 1.827977164e+02 2.851749089e+02 1.26 4.370879584e+02 2.530916276e+02 3.834715399e+02 4.370917342e+02 4.370981002e+02 1.499812932e+02 2.649559887e+02 3.993756244e+02 1.683351259e+02 2.639564211e+02 1.28 4.065561797e+02 2.338009984e+02 3.561372403e+02 4.065553141e+02 4.065581082e+02 1.383709963e+02 2.451293968e+02 3.710830788e+02 1.550178329e+02 2.443709015e+02 1.30 3.782645771e+02 2.160024654e+02 3.308315289e+02 3.782611997e+02 3.782625797e+02 1.276516506e+02 2.268268486e+02 3.448815120e+02 1.427470022e+02 2.262768778e+02 1.32 3.520307078e+02 1.995701751e+02 3.073881091e+02 3.520275616e+02 3.520298507e+02 1.177463482e+02 2.099190216e+02 3.206000162e+02 1.314325680e+02 2.095475709e+02 1.34 3.276883803e+02 1.843894568e+02 2.856577185e+02 3.276889135e+02 3.276940408e+02 1.085867871e+02 1.942880966e+02 2.980838603e+02 1.209929513e+02 1.940707094e+02 1.36 3.050859453e+02 1.703565694e+02 2.655041666e+02 3.050937319e+02 3.051029455e+02 1.001118860e+02 1.798276750e+02 2.771930274e+02 1.113542125e+02 1.797459223e+02 1.38 2.840866964e+02 1.573784978e+02 2.468020680e+02 2.841038509e+02 2.841175326e+02 9.226636569e+01 1.664416600e+02 2.578010277e+02 1.024493393e+02 1.664817870e+02 1.40 2.645683547e+02 1.453712780e+02 2.294365154e+02 2.645940859e+02 2.646117247e+02 8.499965093e+01 1.540430341e+02 2.397929476e+02 9.421763109e+01 1.541938142e+02 1.42 2.464204459e+02 1.342577071e+02 2.133028313e+02 2.464510588e+02 2.464713900e+02 7.826493074e+01 1.425530101e+02 2.230636147e+02 8.660419993e+01 1.428035652e+02 1.44 2.295413198e+02 1.239664682e+02 1.983067778e+02 2.295717781e+02 2.295931015e+02 7.201907605e+01 1.319000964e+02 2.075156721e+02 7.955938962e+01 1.322385446e+02 1.46 2.138354684e+02 1.144318631e+02 1.843635533e+02 2.138613188e+02 2.138818854e+02 6.622268789e+01 1.220190290e+02 1.930589234e+02 7.303776824e+01 1.224318532e+02 1.48 1.992148780e+02 1.055943183e+02 1.713969531e+02 1.992333849e+02 1.992516942e+02 6.084064297e+01 1.128500780e+02 1.796103188e+02 6.699799196e+01 1.133231228e+02 1.50 1.855977749e+02 9.739952175e+01 1.593363963e+02 1.856080471e+02 1.856229734e+02 5.584108288e+01 1.043377332e+02 1.670933898e+02 6.140190065e+01 1.048577091e+02 1.52 1.729086977e+02 8.979757533e+01 1.481152442e+02 1.729112347e+02 1.729219832e+02 5.119478877e+01 9.643041599e+01 1.554376021e+02 5.621435343e+01 9.698633912e+01 1.54 1.610783554e+02 8.274222708e+01 1.376706112e+02 1.610744936e+02 1.610805352e+02 4.687478315e+01 8.908058045e+01 1.445782043e+02 5.140311206e+01 8.966438149e+01 1.56 1.500431416e+02 7.619043004e+01 1.279435447e+02 1.500347035e+02 1.500357993e+02 4.285602222e+01 8.224490805e+01 1.344558153e+02 4.693881026e+01 8.285113196e+01 1.58 1.397446784e+02 7.010259109e+01 1.188792166e+02 1.397337684e+02 1.397301238e+02 3.911520425e+01 7.588411165e+01 1.250160746e+02 4.279467530e+01 7.650915012e+01 1.60 1.301294880e+02 6.444274981e+01 1.104272101e+02 1.301182982e+02 1.301107334e+02 3.563075000e+01 6.996257115e+01 1.162095982e+02 3.894611246e+01 7.060396216e+01 1.62 1.211487478e+02 5.917860744e+01 1.025414883e+02 1.211393255e+02 1.211293016e+02 3.238288957e+01 6.444796091e+01 1.079910563e+02 3.537042382e+01 6.510378481e+01 1.64 1.127575938e+02 5.428111982e+01 9.518032004e+01 1.127515342e+02 1.127409366e+02 2.935958310e+01 5.931064853e+01 1.003187537e+02 3.204654018e+01 5.997919775e+01 1.66 1.049149557e+02 4.972386047e+01 8.830606024e+01 1.049131018e+02 1.049038435e+02 2.657329244e+01 5.452345912e+01 9.315428321e+01 2.895505270e+01 5.520312349e+01 1.68 9.758332650e+01 4.548237826e+01 8.188471561e+01 9.758559973e+01 9.757921014e+01 2.400965932e+01 5.006141833e+01 8.646199309e+01 2.607819463e+01 5.075081337e+01 1.70 9.072776012e+01 4.153363726e+01 7.588492349e+01 9.073328485e+01 9.073068688e+01 2.165143367e+01 4.590145359e+01 8.020865732e+01 2.340989939e+01 4.659932815e+01 1.72 8.431566405e+01 3.785604834e+01 7.027762008e+01 8.432322237e+01 8.432473621e+01 1.948277542e+01 4.202240734e+01 7.436319384e+01 2.096116568e+01 4.272737150e+01 1.74 7.831624449e+01 3.442938815e+01 6.503561640e+01 7.832475992e+01 7.833023508e+01 1.748904832e+01 3.840475330e+01 6.889655010e+01 1.871579724e+01 3.911498523e+01 1.76 7.270060908e+01 3.123506320e+01 6.013358257e+01 7.270944435e+01 7.271841853e+01 1.565678235e+01 3.503040001e+01 6.378183581e+01 1.665740586e+01 3.574357052e+01 1.78 6.744171582e+01 2.825609388e+01 5.554802942e+01 6.745071303e+01 6.746254724e+01 1.397352176e+01 3.188239108e+01 5.899429930e+01 1.477091325e+01 3.259578909e+01 1.80 6.251448888e+01 2.547708525e+01 5.125709134e+01 6.252382906e+01 6.253780444e+01 1.242768770e+01 2.894476986e+01 5.451135425e+01 1.304252237e+01 2.965553800e+01 1.82 5.789590355e+01 2.288405869e+01 4.724029939e+01 5.790590481e+01 5.792128283e+01 1.100842126e+01 2.620250617e+01 5.031254972e+01 1.145964459e+01 2.690783740e+01 1.84 5.356489471e+01 2.046437659e+01 4.347845330e+01 5.357585330e+01 5.359190221e+01 9.705550523e+00 2.364149858e+01 4.637932717e+01 1.001081698e+01 2.433870097e+01 1.86 4.950260337e+01 1.822629771e+01 3.995372540e+01 4.951463124e+01 4.953062418e+01 8.509712970e+00 2.125084485e+01 4.269470078e+01 8.685615106e+00 2.193990009e+01 1.88 4.569192254e+01 1.617161819e+01 3.664959290e+01 4.570479412e+01 4.571999235e+01 7.412298073e+00 1.904244063e+01 3.924292947e+01 7.474449753e+00 1.972338594e+01 1.90 4.211743426e+01 1.428626210e+01 3.355111501e+01 4.213051493e+01 4.214417616e+01 6.405530916e+00 1.700896875e+01 3.600914969e+01 6.368447483e+00 1.767880939e+01 1.92 3.876478574e+01 1.255692913e+01 3.064482918e+01 3.877710944e+01 3.878854284e+01 5.482381607e+00 1.513703571e+01 3.297918368e+01 5.359343661e+00 1.579313123e+01 1.94 3.562027020e+01 1.097121957e+01 2.791868335e+01 3.563073812e+01 3.563938159e+01 4.636487910e+00 1.341438699e+01 3.013942203e+01 4.439435979e+00 1.405446498e+01 1.96 3.267059461e+01 9.517668720e+00 2.536181731e+01 3.267823594e+01 3.268372869e+01 3.862070509e+00 1.182984353e+01 2.747692462e+01 3.601586663e+00 1.245197025e+01 1.98 2.990290198e+01 8.185784343e+00 2.296423129e+01 2.990707302e+01 2.990927986e+01 3.153823234e+00 1.037310075e+01 2.497954576e+01 2.839217937e+00 1.097576050e+01 2.00 2.730488029e+01 6.965993701e+00 2.071651563e+01 2.730535324e+01 2.730434783e+01 2.506831323e+00 9.034641020e+00 2.263591883e+01 2.146295736e+00 9.616780838e+00 2.02 2.486496142e+01 5.849610689e+00 1.861912825e+01 2.486188629e+01 2.485790585e+01 1.916505224e+00 7.805610445e+00 2.043562173e+01 1.517304790e+00 8.366717754e+00 2.04 2.257245058e+01 4.828757618e+00 1.668166719e+01 2.256626146e+01 2.255966638e+01 1.378555630e+00 6.677778914e+00 1.838010117e+01 9.471958933e-01 7.217901367e+00 2.06 2.041738121e+01 3.896221045e+00 1.489303046e+01 2.040868871e+01 2.039994202e+01 8.889459243e-01 5.643479297e+00 1.647675785e+01 4.313035964e-01 6.163104674e+00 2.08 1.840119662e+01 3.045444655e+00 1.324212984e+01 1.839105072e+01 1.838104664e+01 4.439475949e-01 4.695644196e+00 1.471507278e+01 -3.466606505e-02 5.195576670e+00 2.10 1.653124141e+01 2.270388140e+00 1.171856298e+01 1.652056060e+01 1.651009160e+01 4.007230981e-02 3.827751823e+00 1.308516193e+01 -4.547233725e-01 4.308870088e+00 2.12 1.479757314e+01 1.565496049e+00 1.031274728e+01 1.478717420e+01 1.477698530e+01 -3.259085483e-01 3.033820740e+00 1.157792705e+01 -8.325902331e-01 3.496963468e+00 2.14 1.319083267e+01 9.255965785e-01 9.015910853e+00 1.318142943e+01 1.317220270e+01 -6.569841565e-01 2.308362979e+00 1.018500575e+01 -1.171717576e+00 2.754251101e+00 2.16 1.170239380e+01 3.458590633e-01 7.820009006e+00 1.169455277e+01 1.168684590e+01 -9.559407844e-01 1.646330219e+00 8.898671510e+00 -1.475304926e+00 2.075556908e+00 2.18 1.032441776e+01 -1.782583040e-01 6.717690442e+00 1.031850678e+01 1.031269305e+01 -1.225358234e+00 1.043082151e+00 7.711761643e+00 -1.746299322e+00 1.456158231e+00 2.20 9.049678037e+00 -6.510551692e-01 5.702178798e+00 9.045855520e+00 9.042100644e+00 -1.467626715e+00 4.943151896e-01 6.617566750e+00 -1.987420042e+00 8.917060587e-01 2.22 7.871557540e+00 -1.076579496e+00 4.767253626e+00 7.869777081e+00 7.868042433e+00 -1.684931105e+00 -3.953324330e-03 5.609834337e+00 -2.201162448e+00 3.781997406e-01 2.24 6.783825626e+00 -1.458652894e+00 3.907129960e+00 6.783863217e+00 6.783932131e+00 -1.879272421e+00 -4.554353002e-01 4.682664945e+00 -2.389836461e+00 -8.812885758e-02 2.26 5.780629975e+00 -1.800840253e+00 3.116499665e+00 5.782145065e+00 5.783680596e+00 -2.052455354e+00 -8.635817248e-01 3.830461208e+00 -2.555566133e+00 -5.108179991e-01 2.28 4.856358438e+00 -2.106444010e+00 2.390444369e+00 4.858950529e+00 4.861555795e+00 -2.206108239e+00 -1.231623006e+00 3.047953588e+00 -2.700311892e+00 -8.932272510e-01 2.30 4.005581133e+00 -2.378513659e+00 1.724405984e+00 4.008850206e+00 4.012127679e+00 -2.341846771e+00 -1.562597659e+00 2.330123163e+00 -2.825878138e+00 -1.238536978e+00 2.32 3.223150306e+00 -2.619822565e+00 1.114213000e+00 3.226737345e+00 3.230329682e+00 -2.461213128e+00 -1.859350734e+00 1.672277590e+00 -2.933905058e+00 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