# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--V # implementation = 1987--Ackland-G-J--V--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 2025-12-17 r V V 0.02 3.788503003e+02 0.04 3.662780753e+02 0.06 3.540531944e+02 0.08 3.421675451e+02 0.10 3.306131780e+02 0.12 3.193823042e+02 0.14 3.084672921e+02 0.16 2.978606650e+02 0.18 2.875550978e+02 0.20 2.775434147e+02 0.22 2.678185865e+02 0.24 2.583737277e+02 0.26 2.492020941e+02 0.28 2.402970803e+02 0.30 2.316522170e+02 0.32 2.232611687e+02 0.34 2.151177311e+02 0.36 2.072158290e+02 0.38 1.995495138e+02 0.40 1.921129609e+02 0.42 1.849004680e+02 0.44 1.779064523e+02 0.46 1.711254489e+02 0.48 1.645521080e+02 0.50 1.581811932e+02 0.52 1.520075794e+02 0.54 1.460262504e+02 0.56 1.402322974e+02 0.58 1.346209165e+02 0.60 1.291874071e+02 0.62 1.239271697e+02 0.64 1.188357045e+02 0.66 1.139086089e+02 0.68 1.091415760e+02 0.70 1.045303930e+02 0.72 1.000709389e+02 0.74 9.575918330e+01 0.76 9.159118443e+01 0.78 8.756308748e+01 0.80 8.367112299e+01 0.82 7.991160520e+01 0.84 7.628093048e+01 0.86 7.277557574e+01 0.88 6.939209691e+01 0.90 6.612712739e+01 0.92 6.297737660e+01 0.94 5.993962847e+01 0.96 5.701074004e+01 0.98 5.418764001e+01 1.00 5.146732737e+01 1.02 4.884687002e+01 1.04 4.632340344e+01 1.06 4.389412934e+01 1.08 4.155631440e+01 1.10 3.930728894e+01 1.12 3.714444572e+01 1.14 3.506523867e+01 1.16 3.306718169e+01 1.18 3.114784747e+01 1.20 2.930486627e+01 1.22 2.753592484e+01 1.24 2.583876524e+01 1.26 2.421118374e+01 1.28 2.265102974e+01 1.30 2.115620468e+01 1.32 1.972466099e+01 1.34 1.835440105e+01 1.36 1.704347621e+01 1.38 1.578998573e+01 1.40 1.459207582e+01 1.42 1.344793871e+01 1.44 1.235581165e+01 1.46 1.131397601e+01 1.48 1.032075633e+01 1.50 9.374519487e+00 1.52 8.473673737e+00 1.54 7.616667895e+00 1.56 6.801990461e+00 1.58 6.028168794e+00 1.60 5.293768282e+00 1.62 4.597391539e+00 1.64 3.937677610e+00 1.66 3.313301189e+00 1.68 2.722971862e+00 1.70 2.165433343e+00 1.72 1.639462751e+00 1.74 1.143869869e+00 1.76 6.774964463e-01 1.78 2.392154924e-01 1.80 -1.720694095e-01 1.82 -5.574247717e-01 1.84 -9.178878701e-01 1.86 -1.254467386e+00 1.88 -1.568144053e+00 1.90 -1.859871275e+00 1.92 -2.130575743e+00 1.94 -2.381158044e+00 1.96 -2.612493244e+00 1.98 -2.825431482e+00 2.00 -3.020798525e+00 2.02 -3.199396341e+00 2.04 -3.362003648e+00 2.06 -3.509376443e+00 2.08 -3.642248545e+00 2.10 -3.761332111e+00 2.12 -3.867318139e+00 2.14 -3.960876975e+00 2.16 -4.042658809e+00 2.18 -4.113294152e+00 2.20 -4.173394302e+00 2.22 -4.223551820e+00 2.24 -4.264340980e+00 2.26 -4.296318221e+00 2.28 -4.320022581e+00 2.30 -4.335976124e+00 2.32 -4.344684368e+00 2.34 -4.346636694e+00 2.36 -4.342306760e+00 2.38 -4.332152890e+00 2.40 -4.316618472e+00 2.42 -4.296132339e+00 2.44 -4.271109143e+00 2.46 -4.241949725e+00 2.48 -4.209041476e+00 2.50 -4.172758693e+00 2.52 -4.133462925e+00 2.54 -4.091503313e+00 2.56 -4.047216925e+00 2.58 -4.000929086e+00 2.60 -3.952953697e+00 2.62 -3.903593554e+00 2.64 -3.853137526e+00 2.66 -3.801743017e+00 2.68 -3.749406436e+00 2.70 -3.696114986e+00 2.72 -3.641857408e+00 2.74 -3.586624050e+00 2.76 -3.530406781e+00 2.78 -3.473198824e+00 2.80 -3.414994951e+00 2.82 -3.355791758e+00 2.84 -3.295587234e+00 2.86 -3.234380445e+00 2.88 -3.172172566e+00 2.90 -3.108966500e+00 2.92 -3.044765393e+00 2.94 -2.979575559e+00 2.96 -2.913404103e+00 2.98 -2.846258378e+00 3.00 -2.778150970e+00 3.02 -2.709090256e+00 3.04 -2.639093184e+00 3.06 -2.568170557e+00 3.08 -2.496342554e+00 3.10 -2.423622442e+00 3.12 -2.350035513e+00 3.14 -2.275593091e+00 3.16 -2.200333343e+00 3.18 -2.124254639e+00 3.20 -2.047421002e+00 3.22 -1.969806226e+00 3.24 -1.891479576e+00 3.26 -1.812482146e+00 3.28 -1.732711045e+00 3.30 -1.652438848e+00 3.32 -1.570693576e+00 3.34 -1.486685169e+00 3.36 -1.404441268e+00 3.38 -1.327241133e+00 3.40 -1.258288227e+00 3.42 -1.187508933e+00 3.44 -1.104940509e+00 3.46 -1.005290126e+00 3.48 -8.866917513e-01 3.50 -7.537622887e-01 3.52 -6.185927532e-01 3.54 -4.899971362e-01 3.56 -3.735569400e-01 3.58 -2.724113041e-01 3.60 -1.879500461e-01 3.62 -1.204096138e-01 3.64 -6.937195219e-02 3.66 -3.416628251e-02 3.68 -1.417379482e-02 3.70 -8.094126100e-03 3.72 -5.367081144e-03 3.74 -3.125226086e-03 3.76 -1.436717432e-03 3.78 -3.712386171e-04 3.80 5.022827704e-09 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 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