# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta # implementation = 2004--Zhou-X-W--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 1.578265107e+04 0.04 7.893577891e+03 0.06 5.263886831e+03 0.08 3.949041301e+03 0.10 3.160133982e+03 0.12 2.634195770e+03 0.14 2.258525619e+03 0.16 1.976773005e+03 0.18 1.757632084e+03 0.20 1.582319346e+03 0.22 1.438881652e+03 0.24 1.319350240e+03 0.26 1.218208276e+03 0.28 1.131515164e+03 0.30 1.056381134e+03 0.32 9.906388576e+02 0.34 9.326309666e+02 0.36 8.810683968e+02 0.38 8.349334659e+02 0.40 7.934120281e+02 0.42 7.558450129e+02 0.44 7.216931810e+02 0.46 6.905110736e+02 0.48 6.619274751e+02 0.50 6.353151045e+02 0.52 5.971474475e+02 0.54 5.609104565e+02 0.56 5.267894626e+02 0.58 4.946633645e+02 0.60 4.644162838e+02 0.62 4.359395178e+02 0.64 4.091313088e+02 0.66 3.838950794e+02 0.68 3.601399099e+02 0.70 3.377797035e+02 0.72 3.167345514e+02 0.74 2.969280079e+02 0.76 2.782886700e+02 0.78 2.607485452e+02 0.80 2.442442265e+02 0.82 2.287158676e+02 0.84 2.141067039e+02 0.86 2.003637266e+02 0.88 1.874364341e+02 0.90 1.752778086e+02 0.92 1.638429930e+02 0.94 1.530902197e+02 0.96 1.429797202e+02 0.98 1.334742878e+02 1.00 1.245387265e+02 1.02 1.161398094e+02 1.04 1.082464908e+02 1.06 1.008292166e+02 1.08 9.386031710e+01 1.10 8.731362881e+01 1.12 8.116449229e+01 1.14 7.538977080e+01 1.16 6.996763365e+01 1.18 6.487742226e+01 1.20 6.009970265e+01 1.22 5.561621502e+01 1.24 5.140969525e+01 1.26 4.746398343e+01 1.28 4.376409319e+01 1.30 4.029573968e+01 1.32 3.704490033e+01 1.34 3.399836314e+01 1.36 3.114365733e+01 1.38 2.846913975e+01 1.40 2.596386438e+01 1.42 2.361751143e+01 1.44 2.142034993e+01 1.46 1.936334740e+01 1.48 1.743851816e+01 1.50 1.563895980e+01 1.52 1.395805673e+01 1.54 1.238947633e+01 1.56 1.092713598e+01 1.58 9.565191225e+00 1.60 8.298082615e+00 1.62 7.120464183e+00 1.64 6.027253790e+00 1.66 5.013592134e+00 1.68 4.074854517e+00 1.70 3.206642190e+00 1.72 2.404768373e+00 1.74 1.665242654e+00 1.76 9.842866395e-01 1.78 3.583146005e-01 1.80 -2.160712767e-01 1.82 -7.421015352e-01 1.84 -1.222828956e+00 1.86 -1.661136743e+00 1.88 -2.059765270e+00 1.90 -2.421295121e+00 1.92 -2.748166469e+00 1.94 -3.042685941e+00 1.96 -3.307026733e+00 1.98 -3.543239017e+00 2.00 -3.753254799e+00 2.02 -3.938899507e+00 2.04 -4.101884569e+00 2.06 -4.243822542e+00 2.08 -4.366232689e+00 2.10 -4.470545818e+00 2.12 -4.558098601e+00 2.14 -4.630150119e+00 2.16 -4.687886463e+00 2.18 -4.732412635e+00 2.20 -4.764772538e+00 2.22 -4.785938969e+00 2.24 -4.796822183e+00 2.26 -4.798282190e+00 2.28 -4.791114678e+00 2.30 -4.776072264e+00 2.32 -4.753849417e+00 2.34 -4.725101133e+00 2.36 -4.690439458e+00 2.38 -4.650429547e+00 2.40 -4.605604815e+00 2.42 -4.556457269e+00 2.44 -4.503449327e+00 2.46 -4.447008136e+00 2.48 -4.387531622e+00 2.50 -4.325393527e+00 2.52 -4.260934840e+00 2.54 -4.194475217e+00 2.56 -4.126311755e+00 2.58 -4.056717488e+00 2.60 -3.985944668e+00 2.62 -3.914232793e+00 2.64 -3.841795962e+00 2.66 -3.768834447e+00 2.68 -3.695532397e+00 2.70 -3.622064322e+00 2.72 -3.548580704e+00 2.74 -3.475229382e+00 2.76 -3.402141185e+00 2.78 -3.329436535e+00 2.80 -3.257226926e+00 2.82 -3.185610444e+00 2.84 -3.114680448e+00 2.86 -3.044516473e+00 2.88 -2.975194456e+00 2.90 -2.906779031e+00 2.92 -2.839328548e+00 2.94 -2.772893282e+00 2.96 -2.707513125e+00 2.98 -2.643224671e+00 3.00 -2.580053774e+00 3.02 -2.518022579e+00 3.04 -2.457137612e+00 3.06 -2.397402140e+00 3.08 -2.338811247e+00 3.10 -2.281347517e+00 3.12 -2.224987304e+00 3.14 -2.169695833e+00 3.16 -2.115426968e+00 3.18 -2.062129493e+00 3.20 -2.009741534e+00 3.22 -1.958192496e+00 3.24 -1.907406300e+00 3.26 -1.857300907e+00 3.28 -1.807793542e+00 3.30 -1.758796622e+00 3.32 -1.710221064e+00 3.34 -1.661985517e+00 3.36 -1.614008401e+00 3.38 -1.566210008e+00 3.40 -1.518519447e+00 3.42 -1.470870797e+00 3.44 -1.423201101e+00 3.46 -1.375454257e+00 3.48 -1.327579093e+00 3.50 -1.279529009e+00 3.52 -1.231265984e+00 3.54 -1.182755060e+00 3.56 -1.133974780e+00 3.58 -1.084914517e+00 3.60 -1.035576950e+00 3.62 -9.859834556e-01 3.64 -9.361787059e-01 3.66 -8.862315055e-01 3.68 -8.362399696e-01 3.70 -7.863344503e-01 3.72 -7.366749646e-01 3.74 -6.874546237e-01 3.76 -6.388882984e-01 3.78 -5.912156324e-01 3.80 -5.446897607e-01 3.82 -4.995672036e-01 3.84 -4.560981801e-01 3.86 -4.145155881e-01 3.88 -3.750245696e-01 3.90 -3.377962537e-01 3.92 -3.029615939e-01 3.94 -2.706022691e-01 3.96 -2.407572516e-01 3.98 -2.134175020e-01 4.00 -1.885368400e-01 4.02 -1.660332501e-01 4.04 -1.457967833e-01 4.06 -1.276948857e-01 4.08 -1.115814159e-01 4.10 -9.730107209e-02 4.12 -8.469569021e-02 4.14 -7.360742081e-02 4.16 -6.388264880e-02 4.18 -5.537874756e-02 4.20 -4.796084680e-02 4.22 -4.150469499e-02 4.24 -3.589572467e-02 4.26 -3.103047628e-02 4.28 -2.681562757e-02 4.30 -2.316826153e-02 4.32 -2.001456826e-02 4.34 -1.728971346e-02 4.36 -1.493664478e-02 4.38 -1.290530541e-02 4.40 -1.115224121e-02 4.42 -9.639498679e-03 4.44 -8.334289962e-03 4.46 -7.208056540e-03 4.48 -6.236197233e-03 4.50 -5.397398460e-03 4.52 -4.673296044e-03 4.54 -4.048052788e-03 4.56 -3.507995457e-03 4.58 -3.041373287e-03 4.60 -2.638032028e-03 4.62 -2.289276922e-03 4.64 -1.987579300e-03 4.66 -1.726485527e-03 4.68 -1.500419712e-03 4.70 -1.304598272e-03 4.72 -1.134888414e-03 4.74 -9.877413998e-04 4.76 -8.600960086e-04 4.78 -7.493084379e-04 4.80 -6.531065481e-04 4.82 -5.695244199e-04 4.84 -4.968728628e-04 4.86 -4.336885425e-04 4.88 -3.787107292e-04 4.90 -3.308466331e-04 4.92 -2.891565856e-04 4.94 -2.528254785e-04 4.96 -2.211474499e-04 4.98 -1.935133990e-04 5.00 -1.693940449e-04 5.02 -1.483317329e-04 5.04 -1.299307818e-04 5.06 -1.138462465e-04 5.08 -9.977933135e-05 5.10 -8.747133329e-05 5.12 -7.669670231e-05 5.14 -6.725990822e-05 5.16 -5.899115757e-05 5.18 -5.174202361e-05 5.20 -4.538398008e-05 5.22 -3.980479055e-05 5.24 -3.490680267e-05 5.26 -3.060478246e-05 5.28 -2.682458562e-05 5.30 -2.350119307e-05 5.32 -2.057824986e-05 5.34 -1.800636959e-05 5.36 -1.574227806e-05 5.38 -1.374835914e-05 5.40 -1.199150351e-05 5.42 -1.044288252e-05 5.44 -9.077301363e-06 5.46 -7.872551657e-06 5.48 -6.809238476e-06 5.50 -5.870389892e-06 5.52 -5.041063350e-06 5.54 -4.308185674e-06 5.56 -3.660306472e-06 5.58 -3.087301459e-06 5.60 -2.580330295e-06 5.62 -2.131596854e-06 5.64 -1.734258063e-06 5.66 -1.382295468e-06 5.68 -1.070401750e-06 5.70 -7.939011501e-07 5.72 -5.486906961e-07 5.74 -3.311415792e-07 5.76 -1.380738946e-07 5.78 3.334393306e-08 5.80 1.855887194e-07 5.82 3.208566805e-07 5.84 4.410899256e-07 5.86 5.479891774e-07 5.88 6.430713725e-07 5.90 7.276715250e-07 5.92 8.029740407e-07 5.94 8.700232237e-07 5.96 9.297422427e-07 5.98 9.829522686e-07 6.00 1.030380303e-06 6.02 1.072666045e-06 6.04 1.110380860e-06 6.06 1.144031209e-06 6.08 1.174062894e-06 6.10 1.200874640e-06 6.12 1.224820646e-06 6.14 1.246213402e-06 6.16 1.265330001e-06 6.18 1.282419533e-06 6.20 1.297700989e-06 6.22 1.311370134e-06 6.24 1.323601395e-06 6.26 1.334548486e-06 6.28 1.344349628e-06 6.30 1.353127405e-06 6.32 1.360991414e-06 6.34 1.368038259e-06 6.36 1.374354948e-06 6.38 1.380018830e-06 6.40 1.430511475e-06 6.42 1.430511475e-06 6.44 1.430511475e-06 6.46 1.430511475e-06 6.48 1.430511475e-06 6.50 1.430511475e-06 6.52 1.430511475e-06 6.54 1.430511475e-06 6.56 1.430511475e-06 6.58 1.430511475e-06 6.60 1.430511475e-06 6.62 1.430511475e-06 6.64 1.430511475e-06 6.66 1.430511475e-06 6.68 1.430511475e-06 6.70 1.430511475e-06 6.72 1.430511475e-06 6.74 1.430511475e-06 6.76 1.430511475e-06 6.78 1.430511475e-06 6.80 1.430511475e-06 6.82 1.430511475e-06 6.84 1.430511475e-06 6.86 1.430511475e-06 6.88 1.430511475e-06 6.90 1.430511475e-06 6.92 1.430511475e-06 6.94 1.430511475e-06 6.96 1.430511475e-06 6.98 1.430511475e-06 7.00 1.430511475e-06 7.02 1.430511475e-06 7.04 1.430511475e-06 7.06 1.430511475e-06 7.08 1.430511475e-06 7.10 1.430511475e-06 7.12 1.430511475e-06 7.14 1.430511475e-06 7.16 1.430511475e-06 7.18 1.430511475e-06 7.20 1.430511475e-06 7.22 1.430511475e-06 7.24 1.430511475e-06 7.26 1.430511475e-06 7.28 1.430511475e-06 7.30 1.430511475e-06 7.32 1.430511475e-06 7.34 1.430511475e-06 7.36 1.430511475e-06 7.38 1.430511475e-06 7.40 1.430511475e-06 7.42 1.430511475e-06 7.44 1.430511475e-06 7.46 1.430511475e-06 7.48 1.430511475e-06 7.50 1.430511475e-06 7.52 1.430511475e-06 7.54 1.430511475e-06 7.56 1.430511475e-06 7.58 1.430511475e-06 7.60 1.430511475e-06 7.62 1.430511475e-06 7.64 1.430511475e-06 7.66 1.430511475e-06 7.68 1.430511475e-06 7.70 1.430511475e-06 7.72 1.430511475e-06 7.74 1.430511475e-06 7.76 1.430511475e-06 7.78 1.430511475e-06 7.80 1.430511475e-06 7.82 1.430511475e-06 7.84 1.430511475e-06 7.86 1.430511475e-06 7.88 1.430511475e-06 7.90 1.430511475e-06 7.92 1.430511475e-06 7.94 1.430511475e-06 7.96 1.430511475e-06 7.98 1.430511475e-06 8.00 1.430511475e-06 8.02 1.430511475e-06 8.04 1.430511475e-06 8.06 1.430511475e-06 8.08 1.430511475e-06 8.10 1.430511475e-06 8.12 1.430511475e-06 8.14 1.430511475e-06 8.16 1.430511475e-06 8.18 1.430511475e-06 8.20 1.430511475e-06 8.22 1.430511475e-06 8.24 1.430511475e-06 8.26 1.430511475e-06 8.28 1.430511475e-06 8.30 1.430511475e-06 8.32 1.430511475e-06 8.34 1.430511475e-06 8.36 1.430511475e-06 8.38 1.430511475e-06 8.40 1.430511475e-06 8.42 1.430511475e-06 8.44 1.430511475e-06 8.46 1.430511475e-06 8.48 1.430511475e-06 8.50 1.430511475e-06 8.52 1.430511475e-06 8.54 1.430511475e-06 8.56 1.430511475e-06 8.58 1.430511475e-06 8.60 1.430511475e-06 8.62 1.430511475e-06 8.64 1.430511475e-06 8.66 1.430511475e-06 8.68 1.430511475e-06 8.70 1.430511475e-06 8.72 1.430511475e-06 8.74 1.430511475e-06 8.76 1.430511475e-06 8.78 1.430511475e-06 8.80 1.430511475e-06 8.82 1.430511475e-06 8.84 1.430511475e-06 8.86 1.430511475e-06 8.88 1.430511475e-06 8.90 1.430511475e-06 8.92 1.430511475e-06 8.94 1.430511475e-06 8.96 1.430511475e-06 8.98 1.430511475e-06 9.00 1.430511475e-06 9.02 1.430511475e-06 9.04 1.430511475e-06 9.06 1.430511475e-06 9.08 1.430511475e-06 9.10 1.430511475e-06 9.12 1.430511475e-06 9.14 1.430511475e-06 9.16 1.430511475e-06 9.18 1.430511475e-06 9.20 1.430511475e-06 9.22 1.430511475e-06 9.24 1.430511475e-06 9.26 1.430511475e-06 9.28 1.430511475e-06 9.30 1.430511475e-06 9.32 1.430511475e-06 9.34 1.430511475e-06 9.36 1.430511475e-06 9.38 1.430511475e-06 9.40 1.430511475e-06 9.42 1.430511475e-06 9.44 1.430511475e-06 9.46 1.430511475e-06 9.48 1.430511475e-06 9.50 1.430511475e-06 9.52 1.430511475e-06 9.54 1.430511475e-06 9.56 1.430511475e-06 9.58 1.430511475e-06 9.60 1.430511475e-06 9.62 1.430511475e-06 9.64 1.430511475e-06 9.66 1.430511475e-06 9.68 1.430511475e-06 9.70 1.430511475e-06 9.72 1.430511475e-06 9.74 1.430511475e-06 9.76 1.430511475e-06 9.78 1.430511475e-06 9.80 1.430511475e-06 9.82 1.430511475e-06 9.84 1.430511475e-06 9.86 1.430511475e-06 9.88 1.430511475e-06 9.90 1.430511475e-06 9.92 1.430511475e-06 9.94 1.430511475e-06 9.96 1.430511475e-06 9.98 1.430511475e-06 10.00 1.430511475e-06