# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Thompson-A-P-Swiler-L-P-Trott-C-R-et-al--Ta # implementation = 2015--Thompson-A-P--Ta--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 Ta Ta 0.02 2.995039892e+06 0.04 1.211884993e+06 0.06 6.700539394e+05 0.08 4.237569872e+05 0.10 2.891763038e+05 0.12 2.073033200e+05 0.14 1.538683555e+05 0.16 1.172271160e+05 0.18 9.116460101e+04 0.20 7.209418192e+04 0.22 5.781963514e+04 0.24 4.693263168e+04 0.26 3.849634183e+04 0.28 3.186876783e+04 0.30 2.659900636e+04 0.32 2.236374328e+04 0.34 1.892700025e+04 0.36 1.611386022e+04 0.38 1.379288380e+04 0.40 1.186408664e+04 0.42 1.025056474e+04 0.44 8.892564471e+03 0.46 7.743222674e+03 0.48 6.765466353e+03 0.50 5.929729847e+03 0.52 5.212255833e+03 0.54 4.593818413e+03 0.56 4.058754653e+03 0.58 3.594223830e+03 0.60 3.189636332e+03 0.62 2.836210050e+03 0.64 2.526623352e+03 0.66 2.254741769e+03 0.68 2.015401362e+03 0.70 1.804235936e+03 0.72 1.617538437e+03 0.74 1.452149119e+03 0.76 1.305364824e+03 0.78 1.174865016e+03 0.80 1.058651152e+03 0.82 9.549967631e+02 0.84 8.624061558e+02 0.86 7.795800880e+02 0.88 7.053871308e+02 0.90 6.388396693e+02 0.92 5.790737156e+02 0.94 5.253318639e+02 0.96 4.769488478e+02 0.98 4.333392623e+02 1.00 3.939870898e+02 1.02 3.584367399e+02 1.04 3.262853610e+02 1.06 2.971762239e+02 1.08 2.707930148e+02 1.10 2.468548985e+02 1.12 2.251122383e+02 1.14 2.053428781e+02 1.16 1.873489031e+02 1.18 1.709538145e+02 1.20 1.560000587e+02 1.22 1.423468637e+02 1.24 1.298683395e+02 1.26 1.184518099e+02 1.28 1.079963428e+02 1.30 9.841145451e+01 1.32 8.961596648e+01 1.34 8.153699341e+01 1.36 7.410904804e+01 1.38 6.727324737e+01 1.40 6.097660824e+01 1.42 5.517142145e+01 1.44 4.981469517e+01 1.46 4.486765936e+01 1.48 4.029532425e+01 1.50 3.606608651e+01 1.52 3.215137783e+01 1.54 2.852535103e+01 1.56 2.516459953e+01 1.58 2.204790651e+01 1.60 1.915602054e+01 1.62 1.647145471e+01 1.64 1.397830685e+01 1.66 1.166209853e+01 1.68 9.509630862e+00 1.70 7.508855292e+00 1.72 5.648757944e+00 1.74 3.919255974e+00 1.76 2.311104771e+00 1.78 8.158148684e-01 1.80 -5.744224266e-01 1.82 -1.866801574e+00 1.84 -3.067962316e+00 1.86 -4.184042878e+00 1.88 -5.220727505e+00 1.90 -6.183288909e+00 1.92 -7.076626153e+00 1.94 -7.905298448e+00 1.96 -8.673555279e+00 1.98 -9.385363251e+00 2.00 -1.004443000e+01 2.02 -1.065422551e+01 2.04 -1.121800103e+01 2.06 -1.173880602e+01 2.08 -1.221950313e+01 2.10 -1.266278167e+01 2.12 -1.307116953e+01 2.14 -1.344704391e+01 2.16 -1.379264087e+01 2.18 -1.411006398e+01 2.20 -1.440129202e+01 2.22 -1.466818602e+01 2.24 -1.491249564e+01 2.26 -1.513586496e+01 2.28 -1.533983787e+01 2.30 -1.552586297e+01 2.32 -1.569529820e+01 2.34 -1.584941518e+01 2.36 -1.598940321e+01 2.38 -1.611637321e+01 2.40 -1.623136138e+01 2.42 -1.633533279e+01 2.44 -1.642918475e+01 2.46 -1.651375024e+01 2.48 -1.658980108e+01 2.50 -1.665805116e+01 2.52 -1.671915952e+01 2.54 -1.677373340e+01 2.56 -1.682233124e+01 2.58 -1.686546563e+01 2.60 -1.690360613e+01 2.62 -1.693718211e+01 2.64 -1.696658552e+01 2.66 -1.699217351e+01 2.68 -1.701427108e+01 2.70 -1.703317358e+01 2.72 -1.704914914e+01 2.74 -1.706244103e+01 2.76 -1.707326990e+01 2.78 -1.708183593e+01 2.80 -1.708832087e+01 2.82 -1.709288995e+01 2.84 -1.709569373e+01 2.86 -1.709686978e+01 2.88 -1.709654423e+01 2.90 -1.709483327e+01 2.92 -1.709184447e+01 2.94 -1.708767797e+01 2.96 -1.708242762e+01 2.98 -1.707618188e+01 3.00 -1.706902477e+01 3.02 -1.706103654e+01 3.04 -1.705229433e+01 3.06 -1.704287272e+01 3.08 -1.703284414e+01 3.10 -1.702227923e+01 3.12 -1.701124707e+01 3.14 -1.699981539e+01 3.16 -1.698805062e+01 3.18 -1.697601798e+01 3.20 -1.696378142e+01 3.22 -1.695140358e+01 3.24 -1.693894562e+01 3.26 -1.692646714e+01 3.28 -1.691402592e+01 3.30 -1.690167779e+01 3.32 -1.688947636e+01 3.34 -1.687747280e+01 3.36 -1.686571566e+01 3.38 -1.685425057e+01 3.40 -1.684312009e+01 3.42 -1.683236346e+01 3.44 -1.682201647e+01 3.46 -1.681211123e+01 3.48 -1.680267608e+01 3.50 -1.679373549e+01 3.52 -1.678530993e+01 3.54 -1.677741586e+01 3.56 -1.677006572e+01 3.58 -1.676326792e+01 3.60 -1.675702691e+01 3.62 -1.675134327e+01 3.64 -1.674621381e+01 3.66 -1.674163170e+01 3.68 -1.673758669e+01 3.70 -1.673406528e+01 3.72 -1.673105095e+01 3.74 -1.672852443e+01 3.76 -1.672646391e+01 3.78 -1.672484538e+01 3.80 -1.672364292e+01 3.82 -1.672282897e+01 3.84 -1.672237465e+01 3.86 -1.672225011e+01 3.88 -1.672242479e+01 3.90 -1.672286778e+01 3.92 -1.672354808e+01 3.94 -1.672443491e+01 3.96 -1.672549800e+01 3.98 -1.672670786e+01 4.00 -1.672803597e+01 4.02 -1.672945474e+01 4.04 -1.673093660e+01 4.06 -1.673245539e+01 4.08 -1.673398687e+01 4.10 -1.673550884e+01 4.12 -1.673700127e+01 4.14 -1.673844638e+01 4.16 -1.673982868e+01 4.18 -1.674113500e+01 4.20 -1.674235448e+01 4.22 -1.674347860e+01 4.24 -1.674450103e+01 4.26 -1.674541768e+01 4.28 -1.674622651e+01 4.30 -1.674692746e+01 4.32 -1.674752230e+01 4.34 -1.674801451e+01 4.36 -1.674840911e+01 4.38 -1.674871245e+01 4.40 -1.674893209e+01 4.42 -1.674907655e+01 4.44 -1.674915519e+01 4.46 -1.674917794e+01 4.48 -1.674915516e+01 4.50 -1.674909743e+01 4.52 -1.674901536e+01 4.54 -1.674891944e+01 4.56 -1.674881986e+01 4.58 -1.674872635e+01 4.60 -1.674864803e+01 4.62 -1.674859334e+01 4.64 -1.674856986e+01 4.66 -1.674858430e+01 4.68 -1.674864121e+01 4.70 -1.674869927e+01 4.72 -1.674873845e+01 4.74 -1.674876238e+01 4.76 -1.674877475e+01 4.78 -1.674877934e+01 4.80 -1.674878000e+01 4.82 -1.674878000e+01 4.84 -1.674878000e+01 4.86 -1.674878000e+01 4.88 -1.674878000e+01 4.90 -1.674878000e+01 4.92 -1.674878000e+01 4.94 -1.674878000e+01 4.96 -1.674878000e+01 4.98 -1.674878000e+01 5.00 -1.674878000e+01 5.02 -1.674878000e+01 5.04 -1.674878000e+01 5.06 -1.674878000e+01 5.08 -1.674878000e+01 5.10 -1.674878000e+01 5.12 -1.674878000e+01 5.14 -1.674878000e+01 5.16 -1.674878000e+01 5.18 -1.674878000e+01 5.20 -1.674878000e+01 5.22 -1.674878000e+01 5.24 -1.674878000e+01 5.26 -1.674878000e+01 5.28 -1.674878000e+01 5.30 -1.674878000e+01 5.32 -1.674878000e+01 5.34 -1.674878000e+01 5.36 -1.674878000e+01 5.38 -1.674878000e+01 5.40 -1.674878000e+01 5.42 -1.674878000e+01 5.44 -1.674878000e+01 5.46 -1.674878000e+01 5.48 -1.674878000e+01 5.50 -1.674878000e+01 5.52 -1.674878000e+01 5.54 -1.674878000e+01 5.56 -1.674878000e+01 5.58 -1.674878000e+01 5.60 -1.674878000e+01 5.62 -1.674878000e+01 5.64 -1.674878000e+01 5.66 -1.674878000e+01 5.68 -1.674878000e+01 5.70 -1.674878000e+01 5.72 -1.674878000e+01 5.74 -1.674878000e+01 5.76 -1.674878000e+01 5.78 -1.674878000e+01 5.80 -1.674878000e+01 5.82 -1.674878000e+01 5.84 -1.674878000e+01 5.86 -1.674878000e+01 5.88 -1.674878000e+01 5.90 -1.674878000e+01 5.92 -1.674878000e+01 5.94 -1.674878000e+01 5.96 -1.674878000e+01 5.98 -1.674878000e+01 6.00 -1.674878000e+01 6.02 -1.674878000e+01 6.04 -1.674878000e+01 6.06 -1.674878000e+01 6.08 -1.674878000e+01 6.10 -1.674878000e+01 6.12 -1.674878000e+01 6.14 -1.674878000e+01 6.16 -1.674878000e+01 6.18 -1.674878000e+01 6.20 -1.674878000e+01 6.22 -1.674878000e+01 6.24 -1.674878000e+01 6.26 -1.674878000e+01 6.28 -1.674878000e+01 6.30 -1.674878000e+01 6.32 -1.674878000e+01 6.34 -1.674878000e+01 6.36 -1.674878000e+01 6.38 -1.674878000e+01 6.40 -1.674878000e+01 6.42 -1.674878000e+01 6.44 -1.674878000e+01 6.46 -1.674878000e+01 6.48 -1.674878000e+01 6.50 -1.674878000e+01 6.52 -1.674878000e+01 6.54 -1.674878000e+01 6.56 -1.674878000e+01 6.58 -1.674878000e+01 6.60 -1.674878000e+01 6.62 -1.674878000e+01 6.64 -1.674878000e+01 6.66 -1.674878000e+01 6.68 -1.674878000e+01 6.70 -1.674878000e+01 6.72 -1.674878000e+01 6.74 -1.674878000e+01 6.76 -1.674878000e+01 6.78 -1.674878000e+01 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