# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Mo # implementation = 1987--Ackland-G-J--Mo--LAMMPS--ipr4 # 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 Mo Mo 0.02 2.283356761e+04 0.04 2.068449731e+04 0.06 1.873649829e+04 0.08 1.697095072e+04 0.10 1.537093942e+04 0.12 1.392109954e+04 0.14 1.260747600e+04 0.16 1.141739559e+04 0.18 1.033935053e+04 0.20 9.362892538e+03 0.22 8.478536368e+03 0.24 7.677672080e+03 0.26 6.952485206e+03 0.28 6.295884114e+03 0.30 5.701433942e+03 0.32 5.163296492e+03 0.34 4.676175579e+03 0.36 4.235267314e+03 0.38 3.836214909e+03 0.40 3.475067577e+03 0.42 3.148243164e+03 0.44 2.852494190e+03 0.46 2.584876971e+03 0.48 2.342723562e+03 0.50 2.123616260e+03 0.52 1.925364431e+03 0.54 1.745983467e+03 0.56 1.583675652e+03 0.58 1.436812802e+03 0.60 1.303920483e+03 0.62 1.183663687e+03 0.64 1.074833818e+03 0.66 9.763368865e+02 0.68 8.871827841e+02 0.70 8.064755510e+02 0.72 7.334045436e+02 0.74 6.672364189e+02 0.76 6.073078614e+02 0.78 5.530189849e+02 0.80 5.038273477e+02 0.82 4.592425237e+02 0.84 4.188211798e+02 0.86 3.821626123e+02 0.88 3.489046997e+02 0.90 3.187202351e+02 0.92 2.913136009e+02 0.94 2.664177561e+02 0.96 2.437915065e+02 0.98 2.232170312e+02 1.00 2.044976432e+02 1.02 1.874557601e+02 1.04 1.719310668e+02 1.06 1.577788532e+02 1.08 1.448685076e+02 1.10 1.330821549e+02 1.12 1.223134231e+02 1.14 1.124663278e+02 1.16 1.034542633e+02 1.18 9.519908935e+01 1.20 8.763030648e+01 1.22 8.068430932e+01 1.24 7.430371235e+01 1.26 6.843674027e+01 1.28 6.303667719e+01 1.30 5.806136906e+01 1.32 5.347277427e+01 1.34 4.923655775e+01 1.36 4.532172460e+01 1.38 4.170028933e+01 1.40 3.834697739e+01 1.42 3.523895586e+01 1.44 3.235559054e+01 1.46 2.967822686e+01 1.48 2.718999237e+01 1.50 2.487561868e+01 1.52 2.272128101e+01 1.54 2.071445364e+01 1.56 1.884377965e+01 1.58 1.709895373e+01 1.60 1.547061655e+01 1.62 1.395025981e+01 1.64 1.253014071e+01 1.66 1.120320511e+01 1.68 9.963018313e+00 1.70 8.803702989e+00 1.72 7.719883247e+00 1.74 6.706634475e+00 1.76 5.759438258e+00 1.78 4.874141905e+00 1.80 4.046922128e+00 1.82 3.274252445e+00 1.84 2.552873953e+00 1.86 1.879769113e+00 1.88 1.252138263e+00 1.90 6.673785717e-01 1.92 1.230651889e-01 1.94 -3.830656262e-01 1.96 -8.531316051e-01 1.98 -1.289117975e+00 2.00 -1.692889534e+00 2.02 -2.066201440e+00 2.04 -2.410708855e+00 2.06 -2.727975547e+00 2.08 -3.019481572e+00 2.10 -3.286630123e+00 2.12 -3.530753642e+00 2.14 -3.753119253e+00 2.16 -3.954933619e+00 2.18 -4.137347242e+00 2.20 -4.301458311e+00 2.22 -4.448316101e+00 2.24 -4.578924011e+00 2.26 -4.694242248e+00 2.28 -4.795190214e+00 2.30 -4.882648622e+00 2.32 -4.957461369e+00 2.34 -5.020437190e+00 2.36 -5.072351135e+00 2.38 -5.113945852e+00 2.40 -5.145932744e+00 2.42 -5.168992972e+00 2.44 -5.183778340e+00 2.46 -5.190912093e+00 2.48 -5.190989590e+00 2.50 -5.184578915e+00 2.52 -5.172221415e+00 2.54 -5.154432157e+00 2.56 -5.131700331e+00 2.58 -5.104489619e+00 2.60 -5.073238501e+00 2.62 -5.038360520e+00 2.64 -5.000244518e+00 2.66 -4.959254848e+00 2.68 -4.915731547e+00 2.70 -4.869990490e+00 2.72 -4.822323521e+00 2.74 -4.772998483e+00 2.76 -4.722258675e+00 2.78 -4.670323530e+00 2.80 -4.617389123e+00 2.82 -4.563628186e+00 2.84 -4.509190097e+00 2.86 -4.454200888e+00 2.88 -4.398763242e+00 2.90 -4.342956493e+00 2.92 -4.286836624e+00 2.94 -4.230436272e+00 2.96 -4.173764722e+00 2.98 -4.116807911e+00 3.00 -4.059528428e+00 3.02 -4.001865513e+00 3.04 -3.943735068e+00 3.06 -3.885029645e+00 3.08 -3.825618432e+00 3.10 -3.765347256e+00 3.12 -3.704038594e+00 3.14 -3.641491596e+00 3.16 -3.577482143e+00 3.18 -3.511762674e+00 3.20 -3.444062186e+00 3.22 -3.374086391e+00 3.24 -3.301517943e+00 3.26 -3.226412327e+00 3.28 -3.150925122e+00 3.30 -3.075438052e+00 3.32 -2.999951196e+00 3.34 -2.924463829e+00 3.36 -2.848976969e+00 3.38 -2.773490053e+00 3.40 -2.698002533e+00 3.42 -2.622516215e+00 3.44 -2.547028171e+00 3.46 -2.471542273e+00 3.48 -2.396053913e+00 3.50 -2.320568406e+00 3.52 -2.245079305e+00 3.54 -2.169594984e+00 3.56 -2.094103609e+00 3.58 -2.018622623e+00 3.60 -1.943126666e+00 3.62 -1.867650208e+00 3.64 -1.792150859e+00 3.66 -1.716651786e+00 3.68 -1.641188108e+00 3.70 -1.565611878e+00 3.72 -1.490127478e+00 3.74 -1.414079113e+00 3.76 -1.336178846e+00 3.78 -1.260064138e+00 3.80 -1.188781089e+00 3.82 -1.125781382e+00 3.84 -1.062690192e+00 3.86 -9.896157279e-01 3.88 -9.011356013e-01 3.90 -7.951980224e-01 3.92 -6.750007796e-01 3.94 -5.518038494e-01 3.96 -4.341898605e-01 3.98 -3.276245224e-01 4.00 -2.352076128e-01 4.02 -1.583328393e-01 4.04 -9.725657551e-02 4.06 -5.157547243e-02 4.08 -2.061294360e-02 4.10 -3.714525539e-03 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