# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Fe # implementation = 2004--Zhou-X-W--Fe--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 Fe Fe 0.02 2.389396544e+04 0.04 1.194549284e+04 0.06 7.962668642e+03 0.08 5.971256543e+03 0.10 4.776409283e+03 0.12 3.979844444e+03 0.14 3.410869558e+03 0.16 2.984138394e+03 0.18 2.652236377e+03 0.20 2.386714764e+03 0.22 2.169469808e+03 0.24 1.988432344e+03 0.26 1.835246798e+03 0.28 1.703944902e+03 0.30 1.590149924e+03 0.32 1.490579320e+03 0.34 1.402722903e+03 0.36 1.324628311e+03 0.38 1.254754203e+03 0.40 1.191867505e+03 0.42 1.134970016e+03 0.44 1.083245027e+03 0.46 1.036017862e+03 0.48 9.927262947e+02 0.50 9.526353172e+02 0.52 8.785970127e+02 0.54 8.100041647e+02 0.56 7.466833615e+02 0.58 6.882311041e+02 0.60 6.342749249e+02 0.62 5.844710197e+02 0.64 5.385016500e+02 0.66 4.960727424e+02 0.68 4.569137802e+02 0.70 4.207745084e+02 0.72 3.874231473e+02 0.74 3.566464095e+02 0.76 3.282467275e+02 0.78 3.020418571e+02 0.80 2.778638273e+02 0.82 2.555570472e+02 0.84 2.349778825e+02 0.86 2.159937269e+02 0.88 1.984820277e+02 0.90 1.823298858e+02 0.92 1.674328676e+02 0.94 1.536942866e+02 0.96 1.410253177e+02 0.98 1.293434460e+02 1.00 1.185728949e+02 1.02 1.086434863e+02 1.04 9.949037521e+01 1.06 9.105382050e+01 1.08 8.327852388e+01 1.10 7.611352414e+01 1.12 6.951168595e+01 1.14 6.342959624e+01 1.16 5.782703776e+01 1.18 5.266699614e+01 1.20 4.791525251e+01 1.22 4.354014030e+01 1.24 3.951254261e+01 1.26 3.580552183e+01 1.28 3.239426550e+01 1.30 2.925574541e+01 1.32 2.636879020e+01 1.34 2.371385193e+01 1.36 2.127292451e+01 1.38 1.902936699e+01 1.40 1.696778566e+01 1.42 1.507397684e+01 1.44 1.333479075e+01 1.46 1.173849911e+01 1.48 1.027532563e+01 1.50 8.936218519e+00 1.52 7.712601523e+00 1.54 6.596319916e+00 1.56 5.579688593e+00 1.58 4.655440195e+00 1.60 3.816723916e+00 1.62 3.057113921e+00 1.64 2.370577798e+00 1.66 1.751468176e+00 1.68 1.194496598e+00 1.70 6.947248331e-01 1.72 2.475473468e-01 1.74 -1.513320483e-01 1.76 -5.058956361e-01 1.78 -8.198600515e-01 1.80 -1.096669297e+00 1.82 -1.339519725e+00 1.84 -1.551372323e+00 1.86 -1.734968814e+00 1.88 -1.892838333e+00 1.90 -2.027327184e+00 1.92 -2.140594630e+00 1.94 -2.234633877e+00 1.96 -2.311283325e+00 1.98 -2.372230706e+00 2.00 -2.419030889e+00 2.02 -2.453115666e+00 2.04 -2.475793858e+00 2.06 -2.488270076e+00 2.08 -2.491645838e+00 2.10 -2.486930623e+00 2.12 -2.475048747e+00 2.14 -2.456843694e+00 2.16 -2.433084836e+00 2.18 -2.404474655e+00 2.20 -2.371653672e+00 2.22 -2.335202932e+00 2.24 -2.295652598e+00 2.26 -2.253480194e+00 2.28 -2.209123678e+00 2.30 -2.162976054e+00 2.32 -2.115390814e+00 2.34 -2.066692950e+00 2.36 -2.017166962e+00 2.38 -1.967074789e+00 2.40 -1.916649037e+00 2.42 -1.866097228e+00 2.44 -1.815602178e+00 2.46 -1.765330857e+00 2.48 -1.715424929e+00 2.50 -1.666012313e+00 2.52 -1.617200232e+00 2.54 -1.569084641e+00 2.56 -1.521742358e+00 2.58 -1.475237707e+00 2.60 -1.429621157e+00 2.62 -1.384929295e+00 2.64 -1.341186524e+00 2.66 -1.298401380e+00 2.68 -1.256575226e+00 2.70 -1.215693158e+00 2.72 -1.175729816e+00 2.74 -1.136648899e+00 2.76 -1.098403638e+00 2.78 -1.060939054e+00 2.80 -1.024196845e+00 2.82 -9.881097759e-01 2.84 -9.526106903e-01 2.86 -9.176316374e-01 2.88 -8.831074548e-01 2.90 -8.489765779e-01 2.92 -8.151816584e-01 2.94 -7.816702717e-01 2.96 -7.483984022e-01 2.98 -7.153264194e-01 3.00 -6.824197852e-01 3.02 -6.496519499e-01 3.04 -6.170022074e-01 3.06 -5.844603409e-01 3.08 -5.520248987e-01 3.10 -5.197108203e-01 3.12 -4.875487915e-01 3.14 -4.555919172e-01 3.16 -4.239133154e-01 3.18 -3.926142466e-01 3.20 -3.618184856e-01 3.22 -3.316750026e-01 3.24 -3.023484290e-01 3.26 -2.740179326e-01 3.28 -2.468615012e-01 3.30 -2.210525076e-01 3.32 -1.967432860e-01 3.34 -1.740621261e-01 3.36 -1.531001443e-01 3.38 -1.339121152e-01 3.40 -1.165103558e-01 3.42 -1.008703981e-01 3.44 -8.693322562e-02 3.46 -7.461214858e-02 3.48 -6.379702285e-02 3.50 -5.436593822e-02 3.52 -4.619365253e-02 3.54 -3.915160110e-02 3.56 -3.311291186e-02 3.58 -2.795626776e-02 3.60 -2.356874078e-02 3.62 -1.984696243e-02 3.64 -1.669799136e-02 3.66 -1.403932424e-02 3.68 -1.179849452e-02 3.70 -9.912456975e-03 3.72 -8.326789371e-03 3.74 -6.994752751e-03 3.76 -5.876462546e-03 3.78 -4.937993120e-03 3.80 -4.150613380e-03 3.82 -3.490064782e-03 3.84 -2.935880828e-03 3.86 -2.470891971e-03 3.88 -2.080626557e-03 3.90 -1.752988379e-03 3.92 -1.477811311e-03 3.94 -1.246605427e-03 3.96 -1.052239506e-03 3.98 -8.887651222e-04 4.00 -7.511899102e-04 4.02 -6.353449516e-04 4.04 -5.377404716e-04 4.06 -4.554502975e-04 4.08 -3.860264226e-04 4.10 -3.274197055e-04 4.12 -2.779123389e-04 4.14 -2.360620172e-04 4.16 -2.006627353e-04 4.18 -1.706982516e-04 4.20 -1.453169636e-04 4.22 -1.238031422e-04 4.24 -1.055555838e-04 4.26 -9.006770089e-05 4.28 -7.691296465e-05 4.30 -6.573283069e-05 4.32 -5.622415942e-05 4.34 -4.813171810e-05 4.36 -4.124016868e-05 4.38 -3.536735513e-05 4.40 -3.035939885e-05 4.42 -2.608626466e-05 4.44 -2.243770097e-05 4.46 -1.932039331e-05 4.48 -1.665541346e-05 4.50 -1.437563501e-05 4.52 -1.242420994e-05 4.54 -1.075282506e-05 4.56 -9.320378891e-06 4.58 -8.091993444e-06 4.60 -7.037973625e-06 4.62 -6.133020941e-06 4.64 -5.355633728e-06 4.66 -4.687404544e-06 4.68 -4.112698057e-06 4.70 -3.618124611e-06 4.72 -3.192289471e-06 4.74 -2.825420851e-06 4.76 -2.509195181e-06 4.78 -2.236459932e-06 4.80 -2.001113778e-06 4.82 -1.797913254e-06 4.84 -1.622382374e-06 4.86 -1.470670310e-06 4.88 -1.339478999e-06 4.90 -1.225974872e-06 4.92 -1.127719653e-06 4.94 -1.042623231e-06 4.96 -9.688871579e-07 4.98 -9.049620506e-07 5.00 -8.495167620e-07 5.02 -8.014031717e-07 5.04 -7.596287682e-07 5.06 -7.233447078e-07 5.08 -6.918115672e-07 5.10 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