# 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--ipr2 # 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 2.389396131e+04 0.04 1.194549078e+04 0.06 7.962667266e+03 0.08 5.971255511e+03 0.10 4.776408458e+03 0.12 3.979843756e+03 0.14 3.410868968e+03 0.16 2.984137878e+03 0.18 2.652235919e+03 0.20 2.386714351e+03 0.22 2.169469433e+03 0.24 1.988432000e+03 0.26 1.835246481e+03 0.28 1.703944607e+03 0.30 1.590149649e+03 0.32 1.490579062e+03 0.34 1.402722661e+03 0.36 1.324628082e+03 0.38 1.254753985e+03 0.40 1.191867298e+03 0.42 1.134969820e+03 0.44 1.083244839e+03 0.46 1.036017683e+03 0.48 9.927261228e+02 0.50 9.526352462e+02 0.52 8.785970259e+02 0.54 8.100044125e+02 0.56 7.466835622e+02 0.58 6.882312891e+02 0.60 6.342751697e+02 0.62 5.844711990e+02 0.64 5.385016244e+02 0.66 4.960729460e+02 0.68 4.569140675e+02 0.70 4.207745891e+02 0.72 3.874232298e+02 0.74 3.566463704e+02 0.76 3.282467063e+02 0.78 3.020420045e+02 0.80 2.778639541e+02 0.82 2.555571046e+02 0.84 2.349778854e+02 0.86 2.159936997e+02 0.88 1.984820873e+02 0.90 1.823299518e+02 0.92 1.674328456e+02 0.94 1.536943108e+02 0.96 1.410252688e+02 0.98 1.293434578e+02 1.00 1.185729121e+02 1.02 1.086434814e+02 1.04 9.949038740e+01 1.06 9.105381309e+01 1.08 8.327852414e+01 1.10 7.611351886e+01 1.12 6.951170489e+01 1.14 6.342960052e+01 1.16 5.782705884e+01 1.18 5.266701285e+01 1.20 4.791524009e+01 1.22 4.354014517e+01 1.24 3.951255889e+01 1.26 3.580555268e+01 1.28 3.239426726e+01 1.30 2.925575240e+01 1.32 2.636878914e+01 1.34 2.371385263e+01 1.36 2.127292760e+01 1.38 1.902936568e+01 1.40 1.696778389e+01 1.42 1.507397044e+01 1.44 1.333479711e+01 1.46 1.173850508e+01 1.48 1.027532461e+01 1.50 8.936219288e+00 1.52 7.712599911e+00 1.54 6.596324238e+00 1.56 5.579692508e+00 1.58 4.655439526e+00 1.60 3.816724056e+00 1.62 3.057116113e+00 1.64 2.370582696e+00 1.66 1.751472369e+00 1.68 1.194499072e+00 1.70 6.947254554e-01 1.72 2.475459840e-01 1.74 -1.513299763e-01 1.76 -5.058949332e-01 1.78 -8.198597641e-01 1.80 -1.096669831e+00 1.82 -1.339520630e+00 1.84 -1.551372922e+00 1.86 -1.734967279e+00 1.88 -1.892838046e+00 1.90 -2.027326662e+00 1.92 -2.140594365e+00 1.94 -2.234634250e+00 1.96 -2.311282706e+00 1.98 -2.372230227e+00 2.00 -2.419031617e+00 2.02 -2.453115605e+00 2.04 -2.475793885e+00 2.06 -2.488269616e+00 2.08 -2.491645376e+00 2.10 -2.486930628e+00 2.12 -2.475048694e+00 2.14 -2.456843271e+00 2.16 -2.433084518e+00 2.18 -2.404474718e+00 2.20 -2.371653568e+00 2.22 -2.335203079e+00 2.24 -2.295652149e+00 2.26 -2.253480788e+00 2.28 -2.209124055e+00 2.30 -2.162975679e+00 2.32 -2.115391430e+00 2.34 -2.066692209e+00 2.36 -2.017166901e+00 2.38 -1.967074997e+00 2.40 -1.916648986e+00 2.42 -1.866096533e+00 2.44 -1.815602460e+00 2.46 -1.765330518e+00 2.48 -1.715424968e+00 2.50 -1.666011974e+00 2.52 -1.617200808e+00 2.54 -1.569084875e+00 2.56 -1.521742557e+00 2.58 -1.475237905e+00 2.60 -1.429621161e+00 2.62 -1.384929170e+00 2.64 -1.341185689e+00 2.66 -1.298401650e+00 2.68 -1.256575440e+00 2.70 -1.215693261e+00 2.72 -1.175729665e+00 2.74 -1.136648331e+00 2.76 -1.098403167e+00 2.78 -1.060939758e+00 2.80 -1.024197163e+00 2.82 -9.881100038e-01 2.84 -9.526106951e-01 2.86 -9.176316747e-01 2.88 -8.831074245e-01 2.90 -8.489761235e-01 2.92 -8.151808222e-01 2.94 -7.816701258e-01 2.96 -7.483984764e-01 2.98 -7.153262185e-01 3.00 -6.824196934e-01 3.02 -6.496516214e-01 3.04 -6.170020004e-01 3.06 -5.844596703e-01 3.08 -5.520245825e-01 3.10 -5.197106827e-01 3.12 -4.875491692e-01 3.14 -4.555917497e-01 3.16 -4.239133989e-01 3.18 -3.926140398e-01 3.20 -3.618185674e-01 3.22 -3.316747249e-01 3.24 -3.023485508e-01 3.26 -2.740174254e-01 3.28 -2.468611296e-01 3.30 -2.210516957e-01 3.32 -1.967431166e-01 3.34 -1.740620773e-01 3.36 -1.531007720e-01 3.38 -1.339125633e-01 3.40 -1.165107886e-01 3.42 -1.008705691e-01 3.44 -8.693316602e-02 3.46 -7.461203271e-02 3.48 -6.379685470e-02 3.50 -5.436570937e-02 3.52 -4.619340863e-02 3.54 -3.915131259e-02 3.56 -3.311256401e-02 3.58 -2.795593154e-02 3.60 -2.356838121e-02 3.62 -1.984658576e-02 3.64 -1.669759881e-02 3.66 -1.403891000e-02 3.68 -1.179806919e-02 3.70 -9.912033819e-03 3.72 -8.326358919e-03 3.74 -6.994317983e-03 3.76 -5.876016523e-03 3.78 -4.937539301e-03 3.80 -4.150156207e-03 3.82 -3.489600164e-03 3.84 -2.935422214e-03 3.86 -2.470423559e-03 3.88 -2.080160804e-03 3.90 -1.752518779e-03 3.92 -1.477344293e-03 3.94 -1.246133915e-03 3.96 -1.051769060e-03 3.98 -8.882920220e-04 4.00 -7.507172340e-04 4.02 -6.348725749e-04 4.04 -5.372662147e-04 4.06 -4.549750539e-04 4.08 -3.855513657e-04 4.10 -3.269447418e-04 4.12 -2.774368776e-04 4.14 -2.355871066e-04 4.16 -2.001869266e-04 4.18 -1.702220362e-04 4.20 -1.448406414e-04 4.22 -1.233269947e-04 4.24 -1.050792974e-04 4.26 -8.959124068e-05 4.28 -7.643658043e-05 4.30 -6.525624293e-05 4.32 -5.574754040e-05 4.34 -4.765514725e-05 4.36 -4.076354543e-05 4.38 -3.489069606e-05 4.40 -2.988273547e-05 4.42 -2.560952697e-05 4.44 -2.196092823e-05 4.46 -1.884365686e-05 4.48 -1.617865699e-05 4.50 -1.389888498e-05 4.52 -1.194744674e-05 4.54 -1.027602943e-05 4.56 -8.843580434e-06 4.58 -7.615193671e-06 4.60 -6.561170205e-06 4.62 -5.656225321e-06 4.64 -4.878818780e-06 4.66 -4.210588749e-06 4.68 -3.635873038e-06 4.70 -3.141303922e-06 4.72 -2.715465011e-06 4.74 -2.348600488e-06 4.76 -2.032368543e-06 4.78 -1.759632169e-06 4.80 -1.524281545e-06 4.82 -1.321083127e-06 4.84 -1.145551375e-06 4.86 -9.938396330e-07 4.88 -8.626472467e-07 4.90 -7.491404676e-07 4.92 -6.508850436e-07 4.94 -5.657887406e-07 4.96 -4.920523014e-07 4.98 -4.281275783e-07 5.00 -3.726817703e-07 5.02 -3.245668563e-07 5.04 -2.827934548e-07 5.06 -2.465084558e-07 5.08 -2.149758698e-07 5.10 -1.875604228e-07 5.12 -1.637134945e-07 5.14 -1.429610601e-07 5.16 -1.248933424e-07 5.18 -1.091559289e-07 5.20 -9.544214099e-08 5.22 -8.348647605e-08 5.24 -7.305896834e-08 5.26 -6.396033739e-08 5.28 -5.601781190e-08 5.30 -4.908153315e-08 5.32 -4.302145611e-08 5.34 -3.772467779e-08 5.36 -3.309313294e-08 5.38 -2.904160560e-08 5.40 -2.549601228e-08 5.42 -2.239191905e-08 5.44 -1.967326005e-08 5.46 -1.729122934e-08 5.48 -1.520332257e-08 5.50 -1.337250739e-08 5.52 -1.176650534e-08 5.54 -1.035716968e-08 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00