# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Li-Y-Siegel-D-J-Adams-J-B-Liu-X-Y--Ta # implementation = 2003--Li-Y-H--Ta--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 Ta Ta 0.02 3.250697673e+01 0.04 3.213759090e+01 0.06 3.176820507e+01 0.08 3.139881925e+01 0.10 3.102943342e+01 0.12 3.066004759e+01 0.14 3.029066176e+01 0.16 2.992127593e+01 0.18 2.955189011e+01 0.20 2.918250428e+01 0.22 2.881311845e+01 0.24 2.844373262e+01 0.26 2.807434679e+01 0.28 2.770496097e+01 0.30 2.733557514e+01 0.32 2.696618931e+01 0.34 2.659680348e+01 0.36 2.622741765e+01 0.38 2.585803183e+01 0.40 2.548864600e+01 0.42 2.511926017e+01 0.44 2.474987434e+01 0.46 2.438048851e+01 0.48 2.401110269e+01 0.50 2.364171686e+01 0.52 2.327233103e+01 0.54 2.290294520e+01 0.56 2.253355937e+01 0.58 2.216417355e+01 0.60 2.179478772e+01 0.62 2.142540189e+01 0.64 2.105601606e+01 0.66 2.068663023e+01 0.68 2.031724440e+01 0.70 1.994785858e+01 0.72 1.957847275e+01 0.74 1.920908692e+01 0.76 1.883970109e+01 0.78 1.847031526e+01 0.80 1.810092944e+01 0.82 1.773154361e+01 0.84 1.736215778e+01 0.86 1.699277195e+01 0.88 1.662338612e+01 0.90 1.625400030e+01 0.92 1.588461447e+01 0.94 1.551522864e+01 0.96 1.514584281e+01 0.98 1.477645698e+01 1.00 1.440707116e+01 1.02 1.403768533e+01 1.04 1.366829950e+01 1.06 1.329891367e+01 1.08 1.292952784e+01 1.10 1.256014202e+01 1.12 1.219075619e+01 1.14 1.182137036e+01 1.16 1.145198453e+01 1.18 1.108259870e+01 1.20 1.071321288e+01 1.22 1.034382705e+01 1.24 9.974441221e+00 1.26 9.605055393e+00 1.28 9.235669565e+00 1.30 8.866283737e+00 1.32 8.496897909e+00 1.34 8.127512081e+00 1.36 7.758126253e+00 1.38 7.388740425e+00 1.40 7.019354597e+00 1.42 6.649968769e+00 1.44 6.280582941e+00 1.46 5.911197113e+00 1.48 5.541811285e+00 1.50 5.172425457e+00 1.52 4.803039629e+00 1.54 4.433653801e+00 1.56 4.064267973e+00 1.58 3.694882145e+00 1.60 3.325496317e+00 1.62 2.956110489e+00 1.64 2.586715237e+00 1.66 2.215160484e+00 1.68 1.828966409e+00 1.70 1.427434604e+00 1.72 1.012107277e+00 1.74 5.845232618e-01 1.76 1.462211746e-01 1.78 -3.012602142e-01 1.80 -7.572533916e-01 1.82 -1.224016279e+00 1.84 -1.699767833e+00 1.86 -2.185885358e+00 1.88 -2.677662551e+00 1.90 -3.158220427e+00 1.92 -3.633612765e+00 1.94 -4.115039270e+00 1.96 -4.590540305e+00 1.98 -5.051035712e+00 2.00 -5.489733346e+00 2.02 -5.892727845e+00 2.04 -6.259608173e+00 2.06 -6.593633625e+00 2.08 -6.881473890e+00 2.10 -7.145989375e+00 2.12 -7.419879701e+00 2.14 -7.692065266e+00 2.16 -7.958097021e+00 2.18 -8.219814956e+00 2.20 -8.471427154e+00 2.22 -8.716724750e+00 2.24 -8.955805707e+00 2.26 -9.169633753e+00 2.28 -9.341829437e+00 2.30 -9.464962261e+00 2.32 -9.545998737e+00 2.34 -9.596767515e+00 2.36 -9.627028773e+00 2.38 -9.644122449e+00 2.40 -9.653296674e+00 2.42 -9.653594944e+00 2.44 -9.639927461e+00 2.46 -9.609227191e+00 2.48 -9.563276926e+00 2.50 -9.511822882e+00 2.52 -9.459765484e+00 2.54 -9.407432690e+00 2.56 -9.353598630e+00 2.58 -9.295392768e+00 2.60 -9.229165888e+00 2.62 -9.155919642e+00 2.64 -9.077828237e+00 2.66 -8.997890750e+00 2.68 -8.915026879e+00 2.70 -8.819127254e+00 2.72 -8.707212111e+00 2.74 -8.583066565e+00 2.76 -8.452951395e+00 2.78 -8.322743748e+00 2.80 -8.193791837e+00 2.82 -8.061505475e+00 2.84 -7.916835330e+00 2.86 -7.746105438e+00 2.88 -7.532576783e+00 2.90 -7.272287510e+00 2.92 -6.970995425e+00 2.94 -6.639493359e+00 2.96 -6.294439557e+00 2.98 -5.955322319e+00 3.00 -5.635045377e+00 3.02 -5.344909465e+00 3.04 -5.096030356e+00 3.06 -4.898740923e+00 3.08 -4.753568557e+00 3.10 -4.644255591e+00 3.12 -4.550895441e+00 3.14 -4.452101089e+00 3.16 -4.326313278e+00 3.18 -4.171356943e+00 3.20 -4.003604901e+00 3.22 -3.841506498e+00 3.24 -3.705014158e+00 3.26 -3.612026064e+00 3.28 -3.556293438e+00 3.30 -3.519618020e+00 3.32 -3.483198251e+00 3.34 -3.427908495e+00 3.36 -3.340280717e+00 3.38 -3.228307508e+00 3.40 -3.105372368e+00 3.42 -2.985478438e+00 3.44 -2.883244782e+00 3.46 -2.806319372e+00 3.48 -2.748786093e+00 3.50 -2.702976604e+00 3.52 -2.661035597e+00 3.54 -2.615315272e+00 3.56 -2.565103757e+00 3.58 -2.516477223e+00 3.60 -2.475871887e+00 3.62 -2.449793789e+00 3.64 -2.442947899e+00 3.66 -2.444895027e+00 3.68 -2.437634011e+00 3.70 -2.403126443e+00 3.72 -2.323001730e+00 3.74 -2.183639644e+00 3.76 -1.993360560e+00 3.78 -1.766377156e+00 3.80 -1.517822132e+00 3.82 -1.264150566e+00 3.84 -1.018992710e+00 3.86 -7.882746692e-01 3.88 -5.771288188e-01 3.90 -3.902759505e-01 3.92 -2.334075346e-01 3.94 -1.130707787e-01 3.96 -3.419812184e-02 3.98 -1.394741603e-03 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