# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Ta # implementation = 2001--Lee-B-J--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 3.984958515e+02 0.04 3.800110618e+02 0.06 3.623807326e+02 0.08 3.455545890e+02 0.10 3.294871757e+02 0.12 3.141371931e+02 0.14 2.994669361e+02 0.16 2.854418189e+02 0.18 2.720299739e+02 0.20 2.592019114e+02 0.22 2.469302311e+02 0.24 2.351893778e+02 0.26 2.239554330e+02 0.28 2.132059383e+02 0.30 2.029197440e+02 0.32 1.930768799e+02 0.34 1.836584445e+02 0.36 1.746465100e+02 0.38 1.660240396e+02 0.40 1.577748165e+02 0.42 1.498833817e+02 0.44 1.423349798e+02 0.46 1.351155117e+02 0.48 1.282114919e+02 0.50 1.216100116e+02 0.52 1.152987054e+02 0.54 1.092657211e+02 0.56 1.034996927e+02 0.58 9.798971587e+01 0.60 9.272532557e+01 0.62 8.769647532e+01 0.64 8.289351816e+01 0.66 7.830718906e+01 0.68 7.392858838e+01 0.70 6.974916652e+01 0.72 6.576070937e+01 0.74 6.195532474e+01 0.76 5.832542938e+01 0.78 5.486373676e+01 0.80 5.156324546e+01 0.82 4.841722803e+01 0.84 4.541922044e+01 0.86 4.256301196e+01 0.88 3.984263547e+01 0.90 3.725235816e+01 0.92 3.478667266e+01 0.94 3.244028847e+01 0.96 3.020812375e+01 0.98 2.808529741e+01 1.00 2.606712154e+01 1.02 2.414909408e+01 1.04 2.232689179e+01 1.06 2.059636349e+01 1.08 1.895352353e+01 1.10 1.739454550e+01 1.12 1.591575619e+01 1.14 1.451362978e+01 1.16 1.318478219e+01 1.18 1.192596571e+01 1.20 1.073406375e+01 1.22 9.606085884e+00 1.24 8.539162943e+00 1.26 7.530542410e+00 1.28 6.577583916e+00 1.30 5.677754921e+00 1.32 4.828626556e+00 1.34 4.027869607e+00 1.36 3.273250669e+00 1.38 2.562628416e+00 1.40 1.893950029e+00 1.42 1.265247748e+00 1.44 6.746355543e-01 1.46 1.203059759e-01 1.48 -3.994729872e-01 1.50 -8.863608229e-01 1.52 -1.341947357e+00 1.54 -1.767755492e+00 1.56 -2.165243851e+00 1.58 -2.535809313e+00 1.60 -2.880789455e+00 1.62 -3.201464907e+00 1.64 -3.499061608e+00 1.66 -3.774752986e+00 1.68 -4.029662046e+00 1.70 -4.264863381e+00 1.72 -4.481385111e+00 1.74 -4.680210737e+00 1.76 -4.862280934e+00 1.78 -5.028495262e+00 1.80 -5.179713823e+00 1.82 -5.316758846e+00 1.84 -5.440416206e+00 1.86 -5.551436891e+00 1.88 -5.650538405e+00 1.90 -5.738406116e+00 1.92 -5.815694546e+00 1.94 -5.883028617e+00 1.96 -5.941004831e+00 1.98 -5.990192418e+00 2.00 -6.031134416e+00 2.02 -6.064348725e+00 2.04 -6.090329095e+00 2.06 -6.109546085e+00 2.08 -6.122447970e+00 2.10 -6.129461610e+00 2.12 -6.130993275e+00 2.14 -6.127429430e+00 2.16 -6.119137483e+00 2.18 -6.106466489e+00 2.20 -6.089747821e+00 2.22 -6.069295799e+00 2.24 -6.045408287e+00 2.26 -6.018367247e+00 2.28 -5.988439261e+00 2.30 -5.955876019e+00 2.32 -5.920914769e+00 2.34 -5.883778731e+00 2.36 -5.844677485e+00 2.38 -5.803807319e+00 2.40 -5.761351546e+00 2.42 -5.717480797e+00 2.44 -5.672353279e+00 2.46 -5.626115009e+00 2.48 -5.578900023e+00 2.50 -5.530830568e+00 2.52 -5.482017273e+00 2.54 -5.432559312e+00 2.56 -5.382544557e+00 2.58 -5.332049732e+00 2.60 -5.281140583e+00 2.62 -5.229872052e+00 2.64 -5.178288494e+00 2.66 -5.126423919e+00 2.68 -5.074302299e+00 2.70 -5.021937928e+00 2.72 -4.969335874e+00 2.74 -4.916492512e+00 2.76 -4.863396177e+00 2.78 -4.810027922e+00 2.80 -4.756362417e+00 2.82 -4.702368982e+00 2.84 -4.648012748e+00 2.86 -4.593255968e+00 2.88 -4.538059438e+00 2.90 -4.482384027e+00 2.92 -4.426192285e+00 2.94 -4.369450085e+00 2.96 -4.312128266e+00 2.98 -4.254204206e+00 3.00 -4.195663287e+00 3.02 -4.136500171e+00 3.04 -4.076719845e+00 3.06 -4.016338360e+00 3.08 -3.955383242e+00 3.10 -3.893893520e+00 3.12 -3.831919376e+00 3.14 -3.769521410e+00 3.16 -3.706769547e+00 3.18 -3.643741645e+00 3.20 -3.580521839e+00 3.22 -3.517198730e+00 3.24 -3.453863470e+00 3.26 -3.390607862e+00 3.28 -3.327522526e+00 3.30 -3.264695228e+00 3.32 -3.202209429e+00 3.34 -3.140143084e+00 3.36 -3.078567742e+00 3.38 -3.017547938e+00 3.40 -2.957140869e+00 3.42 -2.897396351e+00 3.44 -2.838356990e+00 3.46 -2.780058557e+00 3.48 -2.722530496e+00 3.50 -2.665796534e+00 3.52 -2.609875333e+00 3.54 -2.554781158e+00 3.56 -2.500524524e+00 3.58 -2.447112788e+00 3.60 -2.394550686e+00 3.62 -2.342840791e+00 3.64 -2.291983907e+00 3.66 -2.241979378e+00 3.68 -2.192825350e+00 3.70 -2.144518963e+00 3.72 -2.097056508e+00 3.74 -2.050433544e+00 3.76 -2.004644993e+00 3.78 -1.959685207e+00 3.80 -1.915548029e+00 3.82 -1.872226841e+00 3.84 -1.829714604e+00 3.86 -1.788003894e+00 3.88 -1.747086938e+00 3.90 -1.706955641e+00 3.92 -1.663486323e+00 3.94 -1.564867907e+00 3.96 -1.280761828e+00 3.98 -6.691556791e-01 4.00 -7.195959987e-27 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