# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Ta # implementation = 1987--Ackland-G-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 2026-06-16 r Ta Ta 0.02 2.047642081e+03 0.04 1.962986133e+03 0.06 1.881538693e+03 0.08 1.803186900e+03 0.10 1.727821610e+03 0.12 1.655337290e+03 0.14 1.585631901e+03 0.16 1.518606786e+03 0.18 1.454166570e+03 0.20 1.392219049e+03 0.22 1.332675098e+03 0.24 1.275448567e+03 0.26 1.220456193e+03 0.28 1.167617505e+03 0.30 1.116854735e+03 0.32 1.068092736e+03 0.34 1.021258895e+03 0.36 9.762830555e+02 0.38 9.330974358e+02 0.40 8.916365561e+02 0.42 8.518371639e+02 0.44 8.136381623e+02 0.46 7.769805415e+02 0.48 7.418073114e+02 0.50 7.080634368e+02 0.52 6.756957744e+02 0.54 6.446530115e+02 0.56 6.148856072e+02 0.58 5.863457350e+02 0.60 5.589872267e+02 0.62 5.327655190e+02 0.64 5.076376012e+02 0.66 4.835619644e+02 0.68 4.604985527e+02 0.70 4.384087153e+02 0.72 4.172551607e+02 0.74 3.970019122e+02 0.76 3.776142642e+02 0.78 3.590587408e+02 0.80 3.413030547e+02 0.82 3.243160685e+02 0.84 3.080677559e+02 0.86 2.925291654e+02 0.88 2.776723840e+02 0.90 2.634705031e+02 0.92 2.498975847e+02 0.94 2.369286288e+02 0.96 2.245395421e+02 0.98 2.127071075e+02 1.00 2.014089548e+02 1.02 1.906235316e+02 1.04 1.803300762e+02 1.06 1.705085905e+02 1.08 1.611398141e+02 1.10 1.522051994e+02 1.12 1.436868871e+02 1.14 1.355676825e+02 1.16 1.278310332e+02 1.18 1.204610067e+02 1.20 1.134422690e+02 1.22 1.067600645e+02 1.24 1.004001953e+02 1.26 9.434900230e+01 1.28 8.859334632e+01 1.30 8.312059014e+01 1.32 7.791858085e+01 1.34 7.297563296e+01 1.36 6.828051198e+01 1.38 6.382241857e+01 1.40 5.959097321e+01 1.42 5.557620133e+01 1.44 5.176851899e+01 1.46 4.815871897e+01 1.48 4.473795735e+01 1.50 4.149774056e+01 1.52 3.842991280e+01 1.54 3.552664389e+01 1.56 3.278041758e+01 1.58 3.018402017e+01 1.60 2.773052956e+01 1.62 2.541330466e+01 1.64 2.322597513e+01 1.66 2.116243148e+01 1.68 1.921681551e+01 1.70 1.738351108e+01 1.72 1.565713515e+01 1.74 1.403252914e+01 1.76 1.250475063e+01 1.78 1.106906528e+01 1.80 9.720939058e+00 1.82 8.456030709e+00 1.84 7.270184512e+00 1.86 6.159423266e+00 1.88 5.119941519e+00 1.90 4.148099034e+00 1.92 3.240414479e+00 1.94 2.393559333e+00 1.96 1.604352011e+00 1.98 8.697521825e-01 2.00 1.868552963e-01 2.02 -4.471127050e-01 2.04 -1.034800487e+00 2.06 -1.578736248e+00 2.08 -2.081332460e+00 2.10 -2.544890459e+00 2.12 -2.971604857e+00 2.14 -3.363567802e+00 2.16 -3.722773095e+00 2.18 -4.051120143e+00 2.20 -4.350417794e+00 2.22 -4.622388000e+00 2.24 -4.868669391e+00 2.26 -5.090820677e+00 2.28 -5.290323965e+00 2.30 -5.468587919e+00 2.32 -5.626950839e+00 2.34 -5.766683601e+00 2.36 -5.888992502e+00 2.38 -5.995022005e+00 2.40 -6.085857358e+00 2.42 -6.162527154e+00 2.44 -6.226005762e+00 2.46 -6.277215678e+00 2.48 -6.317029801e+00 2.50 -6.346273610e+00 2.52 -6.365727251e+00 2.54 -6.376127563e+00 2.56 -6.378170027e+00 2.58 -6.372510627e+00 2.60 -6.359767637e+00 2.62 -6.340523358e+00 2.64 -6.315325778e+00 2.66 -6.284690172e+00 2.68 -6.249100626e+00 2.70 -6.209011520e+00 2.72 -6.164848935e+00 2.74 -6.117012020e+00 2.76 -6.065874296e+00 2.78 -6.011784916e+00 2.80 -5.955069862e+00 2.82 -5.896033108e+00 2.84 -5.834957726e+00 2.86 -5.772106951e+00 2.88 -5.707703084e+00 2.90 -5.641817887e+00 2.92 -5.574468629e+00 2.94 -5.505672938e+00 2.96 -5.435448912e+00 2.98 -5.363815120e+00 3.00 -5.290790608e+00 3.02 -5.216394873e+00 3.04 -5.140647866e+00 3.06 -5.063570002e+00 3.08 -4.985182164e+00 3.10 -4.905505757e+00 3.12 -4.824562712e+00 3.14 -4.742375253e+00 3.16 -4.658966033e+00 3.18 -4.574358328e+00 3.20 -4.488576153e+00 3.22 -4.401643397e+00 3.24 -4.313584427e+00 3.26 -4.224425049e+00 3.28 -4.134190512e+00 3.30 -4.042906168e+00 3.32 -3.950600066e+00 3.34 -3.857297798e+00 3.36 -3.763026999e+00 3.38 -3.667817060e+00 3.40 -3.571693067e+00 3.42 -3.474688935e+00 3.44 -3.376827290e+00 3.46 -3.278146289e+00 3.48 -3.178665648e+00 3.50 -3.078429720e+00 3.52 -2.977451346e+00 3.54 -2.875787402e+00 3.56 -2.773435952e+00 3.58 -2.670470888e+00 3.60 -2.566882075e+00 3.62 -2.462711801e+00 3.64 -2.358070785e+00 3.66 -2.252772881e+00 3.68 -2.147097141e+00 3.70 -2.040548370e+00 3.72 -1.930806247e+00 3.74 -1.822625777e+00 3.76 -1.720346242e+00 3.78 -1.628971302e+00 3.80 -1.539095377e+00 3.82 -1.436452152e+00 3.84 -1.313030160e+00 3.86 -1.165688001e+00 3.88 -9.973855137e-01 3.90 -8.233416011e-01 3.92 -6.559084927e-01 3.94 -5.030408423e-01 3.96 -3.693403025e-01 3.98 -2.569749837e-01 4.00 -1.664738003e-01 4.02 -9.739570341e-02 4.04 -4.887379944e-02 4.06 -2.003435559e-02 4.08 -1.007931364e-02 4.10 -7.193252400e-03 4.12 -4.728291405e-03 4.14 -2.730107563e-03 4.16 -1.244845248e-03 4.18 -3.191162944e-04 4.20 1.549859134e-09 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