# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Au # implementation = 2004--Zhou-X-W--Au--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Au Au 0.02 1.441663599e+04 0.04 7.218637943e+03 0.06 4.819305261e+03 0.08 3.619638920e+03 0.10 2.899839115e+03 0.12 2.419972578e+03 0.14 2.077210767e+03 0.16 1.820139408e+03 0.18 1.620195018e+03 0.20 1.460239506e+03 0.22 1.329366814e+03 0.24 1.220306237e+03 0.26 1.128024211e+03 0.28 1.048925331e+03 0.30 9.803729691e+02 0.32 9.203896520e+02 0.34 8.674631958e+02 0.36 8.204174569e+02 0.38 7.783239011e+02 0.40 7.404397009e+02 0.42 7.061635197e+02 0.44 6.750033550e+02 0.46 6.465527698e+02 0.48 6.204730667e+02 0.50 5.963840328e+02 0.52 5.572119744e+02 0.54 5.204615200e+02 0.56 4.860685092e+02 0.58 4.538829182e+02 0.60 4.237642844e+02 0.62 3.955816357e+02 0.64 3.692118788e+02 0.66 3.445393584e+02 0.68 3.214563123e+02 0.70 2.998616864e+02 0.72 2.796608479e+02 0.74 2.607647814e+02 0.76 2.430906779e+02 0.78 2.265607011e+02 0.80 2.111019253e+02 0.82 1.966461153e+02 0.84 1.831293138e+02 0.86 1.704917087e+02 0.88 1.586771747e+02 0.90 1.476331816e+02 0.92 1.373106937e+02 0.94 1.276634455e+02 0.96 1.186483392e+02 0.98 1.102250256e+02 1.00 1.023556607e+02 1.02 9.500470922e+01 1.04 8.813905644e+01 1.06 8.172754624e+01 1.08 7.574109034e+01 1.10 7.015251465e+01 1.12 6.493610153e+01 1.14 6.006809688e+01 1.16 5.552594906e+01 1.18 5.128877870e+01 1.20 4.733692315e+01 1.22 4.365197368e+01 1.24 4.021674003e+01 1.26 3.701501665e+01 1.28 3.403173653e+01 1.30 3.125277735e+01 1.32 2.866484953e+01 1.34 2.625557520e+01 1.36 2.401307194e+01 1.38 2.192617479e+01 1.40 1.998521222e+01 1.42 1.818107347e+01 1.44 1.650519650e+01 1.46 1.494937528e+01 1.48 1.350599136e+01 1.50 1.216782322e+01 1.52 1.092805326e+01 1.54 9.780293109e+00 1.56 8.718580119e+00 1.58 7.737293508e+00 1.60 6.831135702e+00 1.62 5.995137147e+00 1.64 5.224613379e+00 1.66 4.515159711e+00 1.68 3.862662788e+00 1.70 3.263224161e+00 1.72 2.713209632e+00 1.74 2.209199257e+00 1.76 1.747992313e+00 1.78 1.326590157e+00 1.80 9.421796141e-01 1.82 5.921270244e-01 1.84 2.739656084e-01 1.86 -1.460236209e-02 1.88 -2.757403149e-01 1.90 -5.114582159e-01 1.92 -7.236401521e-01 1.94 -9.140460898e-01 1.96 -1.084317479e+00 1.98 -1.235986055e+00 2.00 -1.370482687e+00 2.02 -1.489140119e+00 2.04 -1.593198281e+00 2.06 -1.683817777e+00 2.08 -1.762075710e+00 2.10 -1.828975351e+00 2.12 -1.885451076e+00 2.14 -1.932369809e+00 2.16 -1.970540490e+00 2.18 -2.000712027e+00 2.20 -2.023581678e+00 2.22 -2.039796480e+00 2.24 -2.049954344e+00 2.26 -2.054614331e+00 2.28 -2.054289912e+00 2.30 -2.049459724e+00 2.32 -2.040564360e+00 2.34 -2.028013818e+00 2.36 -2.012185090e+00 2.38 -1.993427636e+00 2.40 -1.972064532e+00 2.42 -1.948391272e+00 2.44 -1.922682240e+00 2.46 -1.895191322e+00 2.48 -1.866148312e+00 2.50 -1.835767615e+00 2.52 -1.804244649e+00 2.54 -1.771759340e+00 2.56 -1.738475641e+00 2.58 -1.704545489e+00 2.60 -1.670104026e+00 2.62 -1.635278494e+00 2.64 -1.600182384e+00 2.66 -1.564920055e+00 2.68 -1.529585495e+00 2.70 -1.494264221e+00 2.72 -1.459032925e+00 2.74 -1.423961415e+00 2.76 -1.389112845e+00 2.78 -1.354542266e+00 2.80 -1.320300220e+00 2.82 -1.286431308e+00 2.84 -1.252974063e+00 2.86 -1.219963765e+00 2.88 -1.187430222e+00 2.90 -1.155401345e+00 2.92 -1.123898641e+00 2.94 -1.092941368e+00 2.96 -1.062546849e+00 2.98 -1.032726948e+00 3.00 -1.003493834e+00 3.02 -9.748565915e-01 3.04 -9.468205590e-01 3.06 -9.193905815e-01 3.08 -8.925697518e-01 3.10 -8.663596742e-01 3.12 -8.407596585e-01 3.14 -8.157682064e-01 3.16 -7.913828091e-01 3.18 -7.675989843e-01 3.20 -7.444123733e-01 3.22 -7.218184231e-01 3.24 -6.998099234e-01 3.26 -6.783801665e-01 3.28 -6.575219498e-01 3.30 -6.372269294e-01 3.32 -6.174864908e-01 3.34 -5.982924055e-01 3.36 -5.796350129e-01 3.38 -5.615056610e-01 3.40 -5.438948486e-01 3.42 -5.267919576e-01 3.44 -5.101876268e-01 3.46 -4.940713118e-01 3.48 -4.784328270e-01 3.50 -4.632620252e-01 3.52 -4.485482478e-01 3.54 -4.342805369e-01 3.56 -4.204487282e-01 3.58 -4.070421398e-01 3.60 -3.940494226e-01 3.62 -3.814598515e-01 3.64 -3.692624142e-01 3.66 -3.574454412e-01 3.68 -3.459977736e-01 3.70 -3.349077267e-01 3.72 -3.241635987e-01 3.74 -3.137540281e-01 3.76 -3.036670131e-01 3.78 -2.938913970e-01 3.80 -2.844157777e-01 3.82 -2.752290992e-01 3.84 -2.663208410e-01 3.86 -2.576804766e-01 3.88 -2.492986317e-01 3.90 -2.411659660e-01 3.92 -2.332742927e-01 3.94 -2.256161361e-01 3.96 -2.181841234e-01 3.98 -2.109721120e-01 4.00 -2.039742586e-01 4.02 -1.971850088e-01 4.04 -1.905992903e-01 4.06 -1.842125218e-01 4.08 -1.780200064e-01 4.10 -1.720169915e-01 4.12 -1.661991899e-01 4.14 -1.605622562e-01 4.16 -1.551015466e-01 4.18 -1.498123144e-01 4.20 -1.446903094e-01 4.22 -1.397305498e-01 4.24 -1.349282286e-01 4.26 -1.302785998e-01 4.28 -1.257765588e-01 4.30 -1.214172383e-01 4.32 -1.171953216e-01 4.34 -1.131059119e-01 4.36 -1.091437515e-01 4.38 -1.053034854e-01 4.40 -1.015800567e-01 4.42 -9.796804805e-02 4.44 -9.446208283e-02 4.46 -9.105667278e-02 4.48 -8.774656948e-02 4.50 -8.452621541e-02 4.52 -8.138993428e-02 4.54 -7.833236481e-02 4.56 -7.534792830e-02 4.58 -7.243092771e-02 4.60 -6.957595105e-02 4.62 -6.677755097e-02 4.64 -6.403031877e-02 4.66 -6.132916457e-02 4.68 -5.866924976e-02 4.70 -5.604603529e-02 4.72 -5.345552667e-02 4.74 -5.089442992e-02 4.76 -4.836006659e-02 4.78 -4.585044775e-02 4.80 -4.336504667e-02 4.82 -4.090442307e-02 4.84 -3.847060932e-02 4.86 -3.606694216e-02 4.88 -3.369825467e-02 4.90 -3.137075354e-02 4.92 -2.909170630e-02 4.94 -2.686959271e-02 4.96 -2.471342045e-02 4.98 -2.263247182e-02 5.00 -2.063599406e-02 5.02 -1.873268310e-02 5.04 -1.693013000e-02 5.06 -1.523460639e-02 5.08 -1.365088439e-02 5.10 -1.218175165e-02 5.12 -1.082819280e-02 5.14 -9.589411847e-03 5.16 -8.462917019e-03 5.18 -7.444740849e-03 5.20 -6.529674970e-03 5.22 -5.711715919e-03 5.24 -4.984107819e-03 5.26 -4.339775355e-03 5.28 -3.771531344e-03 5.30 -3.272209753e-03 5.32 -2.834896957e-03 5.34 -2.452993346e-03 5.36 -2.120337840e-03 5.38 -1.831221283e-03 5.40 -1.580417694e-03 5.42 -1.363224284e-03 5.44 -1.175392208e-03 5.46 -1.013136068e-03 5.48 -8.731201510e-04 5.50 -7.523837002e-04 5.52 -6.483383452e-04 5.54 -5.587159827e-04 5.56 -4.815465738e-04 5.58 -4.151154430e-04 5.60 -3.579341176e-04 5.62 -3.087173163e-04 5.64 -2.663549313e-04 5.66 -2.298870317e-04 5.68 -1.984889409e-04 5.70 -1.714505651e-04 5.72 -1.481596225e-04 5.74 -1.280906153e-04 5.76 -1.107930103e-04 5.78 -9.587775924e-05 5.80 -8.301236328e-05 5.82 -7.191003973e-05 5.84 -6.232523416e-05 5.86 -5.404700589e-05 5.88 -4.689360230e-05 5.90 -4.070971655e-05 5.92 -3.536118460e-05 5.94 -3.073275226e-05 5.96 -2.672585555e-05 5.98 -2.325512342e-05 6.00 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