# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2010--Fellinger-M-R-Park-H-Wilkins-J-W--Nb # implementation = 2010--Fellinger-M-R--Nb--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 Nb Nb 0.02 4.305446828e+02 0.04 4.180820396e+02 0.06 4.058598473e+02 0.08 3.938757466e+02 0.10 3.821273783e+02 0.12 3.706123830e+02 0.14 3.593284015e+02 0.16 3.482730744e+02 0.18 3.374440425e+02 0.20 3.268389465e+02 0.22 3.164554270e+02 0.24 3.062911247e+02 0.26 2.963436804e+02 0.28 2.866107348e+02 0.30 2.770899286e+02 0.32 2.677789024e+02 0.34 2.586752971e+02 0.36 2.497767532e+02 0.38 2.410809114e+02 0.40 2.325854126e+02 0.42 2.242878974e+02 0.44 2.161860064e+02 0.46 2.082773805e+02 0.48 2.005596602e+02 0.50 1.930304863e+02 0.52 1.856874996e+02 0.54 1.785283406e+02 0.56 1.715506502e+02 0.58 1.647520690e+02 0.60 1.581302377e+02 0.62 1.516827970e+02 0.64 1.454073876e+02 0.66 1.393016503e+02 0.68 1.333632256e+02 0.70 1.275897545e+02 0.72 1.219788773e+02 0.74 1.165282298e+02 0.76 1.112354384e+02 0.78 1.060981291e+02 0.80 1.011139275e+02 0.82 9.628045933e+01 0.84 9.159535046e+01 0.86 8.705622661e+01 0.88 8.266071354e+01 0.90 7.840643702e+01 0.92 7.429102280e+01 0.94 7.031209665e+01 0.96 6.646728434e+01 0.98 6.275421161e+01 1.00 5.917050424e+01 1.02 5.571378799e+01 1.04 5.238168861e+01 1.06 4.917183188e+01 1.08 4.608184354e+01 1.10 4.310934937e+01 1.12 4.025197513e+01 1.14 3.750734658e+01 1.16 3.487308947e+01 1.18 3.234682958e+01 1.20 2.992619266e+01 1.22 2.760880447e+01 1.24 2.539229078e+01 1.26 2.327427735e+01 1.28 2.125238995e+01 1.30 1.932425432e+01 1.32 1.748749624e+01 1.34 1.573974147e+01 1.36 1.407861577e+01 1.38 1.250174490e+01 1.40 1.100675462e+01 1.42 9.591270690e+00 1.44 8.252918882e+00 1.46 6.989326610e+00 1.48 5.798132826e+00 1.50 4.676981373e+00 1.52 3.623516114e+00 1.54 2.635380911e+00 1.56 1.710219626e+00 1.58 8.456761201e-01 1.60 3.939425659e-02 1.62 -7.109821027e-01 1.64 -1.407809096e+00 1.66 -2.053442860e+00 1.68 -2.650239535e+00 1.70 -3.200555256e+00 1.72 -3.706746163e+00 1.74 -4.171180577e+00 1.76 -4.598278296e+00 1.78 -4.991666836e+00 1.80 -5.353263762e+00 1.82 -5.684816475e+00 1.84 -5.987848466e+00 1.86 -6.263614004e+00 1.88 -6.513066695e+00 1.90 -6.736905954e+00 1.92 -6.936415336e+00 1.94 -7.113606965e+00 1.96 -7.270810141e+00 1.98 -7.410654847e+00 2.00 -7.536050233e+00 2.02 -7.650149443e+00 2.04 -7.756113638e+00 2.06 -7.855980674e+00 2.08 -7.951295242e+00 2.10 -8.042494342e+00 2.12 -8.128399719e+00 2.14 -8.207842468e+00 2.16 -8.279235063e+00 2.18 -8.336426366e+00 2.20 -8.372268528e+00 2.22 -8.381686264e+00 2.24 -8.361963338e+00 2.26 -8.312797115e+00 2.28 -8.235511826e+00 2.30 -8.132396914e+00 2.32 -8.009175140e+00 2.34 -7.872982645e+00 2.36 -7.729378829e+00 2.38 -7.582567919e+00 2.40 -7.435663997e+00 2.42 -7.290935159e+00 2.44 -7.150324830e+00 2.46 -7.015567078e+00 2.48 -6.888029345e+00 2.50 -6.768751517e+00 2.52 -6.658488464e+00 2.54 -6.557750583e+00 2.56 -6.465186673e+00 2.58 -6.370839965e+00 2.60 -6.266943625e+00 2.62 -6.150829914e+00 2.64 -6.023164406e+00 2.66 -5.886439045e+00 2.68 -5.743868238e+00 2.70 -5.598639098e+00 2.72 -5.453433125e+00 2.74 -5.310149544e+00 2.76 -5.169868201e+00 2.78 -5.033313838e+00 2.80 -4.900641057e+00 2.82 -4.771298370e+00 2.84 -4.644070419e+00 2.86 -4.517122744e+00 2.88 -4.388037725e+00 2.90 -4.253832665e+00 2.92 -4.111087355e+00 2.94 -3.958723172e+00 2.96 -3.798408887e+00 2.98 -3.632271652e+00 3.00 -3.462816620e+00 3.02 -3.292932254e+00 3.04 -3.125879903e+00 3.06 -2.965265836e+00 3.08 -2.814991793e+00 3.10 -2.678170825e+00 3.12 -2.555346791e+00 3.14 -2.446454377e+00 3.16 -2.351219214e+00 3.18 -2.269179391e+00 3.20 -2.199707517e+00 3.22 -2.142032777e+00 3.24 -2.095262491e+00 3.26 -2.058510604e+00 3.28 -2.031634741e+00 3.30 -2.014814693e+00 3.32 -2.008179738e+00 3.34 -2.011805954e+00 3.36 -2.025715750e+00 3.38 -2.049877660e+00 3.40 -2.084206369e+00 3.42 -2.128547616e+00 3.44 -2.182181369e+00 3.46 -2.243742047e+00 3.48 -2.311839088e+00 3.50 -2.385110972e+00 3.52 -2.462238250e+00 3.54 -2.541954040e+00 3.56 -2.623052003e+00 3.58 -2.704391803e+00 3.60 -2.784371224e+00 3.62 -2.859742690e+00 3.64 -2.927107217e+00 3.66 -2.983261091e+00 3.68 -3.025135184e+00 3.70 -3.049712358e+00 3.72 -3.053923050e+00 3.74 -3.034518073e+00 3.76 -2.988427719e+00 3.78 -2.917558136e+00 3.80 -2.826862950e+00 3.82 -2.721416512e+00 3.84 -2.606553996e+00 3.86 -2.487998395e+00 3.88 -2.371927896e+00 3.90 -2.264979246e+00 3.92 -2.174101876e+00 3.94 -2.101432359e+00 3.96 -2.040994531e+00 3.98 -1.985778419e+00 4.00 -1.928515317e+00 4.02 -1.861692562e+00 4.04 -1.777486235e+00 4.06 -1.667608391e+00 4.08 -1.523063559e+00 4.10 -1.336631675e+00 4.12 -1.112978978e+00 4.14 -8.608505157e-01 4.16 -5.901093169e-01 4.18 -3.120211970e-01 4.20 -3.938301231e-02 4.22 1.778352740e-01 4.24 2.255423937e-01 4.26 1.123949638e-01 4.28 -5.599301098e-02 4.30 -1.854331318e-01 4.32 -2.302907271e-01 4.34 -1.906692481e-01 4.36 -9.505253649e-02 4.38 1.927016262e-02 4.40 1.211290441e-01 4.42 1.931515396e-01 4.44 2.333068443e-01 4.46 2.478854250e-01 4.48 2.432816569e-01 4.50 2.252125536e-01 4.52 1.986325996e-01 4.54 1.676954138e-01 4.56 1.357608799e-01 4.58 1.054441014e-01 4.60 7.861039707e-02 4.62 5.601426740e-02 4.64 3.774946324e-02 4.66 2.361971470e-02 4.68 1.326488489e-02 4.70 6.238829553e-03 4.72 2.054357940e-03 4.74 2.069085501e-04 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