# 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--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 1.578265781e+04 0.04 7.893581260e+03 0.06 5.263889077e+03 0.08 3.949042985e+03 0.10 3.160135330e+03 0.12 2.634196893e+03 0.14 2.258526581e+03 0.16 1.976773847e+03 0.18 1.757632832e+03 0.20 1.582320020e+03 0.22 1.438882264e+03 0.24 1.319350802e+03 0.26 1.218208795e+03 0.28 1.131515646e+03 0.30 1.056381583e+03 0.32 9.906392787e+02 0.34 9.326313629e+02 0.36 8.810687711e+02 0.38 8.349338205e+02 0.40 7.934123649e+02 0.42 7.558453338e+02 0.44 7.216934872e+02 0.46 6.905113665e+02 0.48 6.619277558e+02 0.50 6.353153426e+02 0.52 5.971474932e+02 0.54 5.609103710e+02 0.56 5.267897830e+02 0.58 4.946635116e+02 0.60 4.644163768e+02 0.62 4.359398311e+02 0.64 4.091315771e+02 0.66 3.838952084e+02 0.68 3.601398701e+02 0.70 3.377799392e+02 0.72 3.167347239e+02 0.74 2.969281793e+02 0.76 2.782886400e+02 0.78 2.607485682e+02 0.80 2.442443162e+02 0.82 2.287159021e+02 0.84 2.141067993e+02 0.86 2.003637372e+02 0.88 1.874365144e+02 0.90 1.752778213e+02 0.92 1.638430742e+02 0.94 1.530902584e+02 0.96 1.429797803e+02 0.98 1.334743277e+02 1.00 1.245387393e+02 1.02 1.161398802e+02 1.04 1.082465256e+02 1.06 1.008292509e+02 1.08 9.386032796e+01 1.10 8.731362773e+01 1.12 8.116452800e+01 1.14 7.538982678e+01 1.16 6.996766059e+01 1.18 6.487742741e+01 1.20 6.009971412e+01 1.22 5.561622806e+01 1.24 5.140973259e+01 1.26 4.746398634e+01 1.28 4.376410729e+01 1.30 4.029577166e+01 1.32 3.704492637e+01 1.34 3.399836220e+01 1.36 3.114366317e+01 1.38 2.846915885e+01 1.40 2.596387959e+01 1.42 2.361751448e+01 1.44 2.142037179e+01 1.46 1.936336233e+01 1.48 1.743852960e+01 1.50 1.563896613e+01 1.52 1.395806692e+01 1.54 1.238948764e+01 1.56 1.092714273e+01 1.58 9.565202442e+00 1.60 8.298088742e+00 1.62 7.120470527e+00 1.64 6.027258080e+00 1.66 5.013597017e+00 1.68 4.074861789e+00 1.70 3.206648850e+00 1.72 2.404769582e+00 1.74 1.665243041e+00 1.76 9.842885951e-01 1.78 3.583185201e-01 1.80 -2.160694190e-01 1.82 -7.420993423e-01 1.84 -1.222824557e+00 1.86 -1.661134755e+00 1.88 -2.059763085e+00 1.90 -2.421293074e+00 1.92 -2.748165387e+00 1.94 -3.042684401e+00 1.96 -3.307024598e+00 1.98 -3.543236760e+00 2.00 -3.753253955e+00 2.02 -3.938897326e+00 2.04 -4.101881665e+00 2.06 -4.243820781e+00 2.08 -4.366232662e+00 2.10 -4.470544425e+00 2.12 -4.558097068e+00 2.14 -4.630150016e+00 2.16 -4.687885479e+00 2.18 -4.732412607e+00 2.20 -4.764771465e+00 2.22 -4.785936826e+00 2.24 -4.796821784e+00 2.26 -4.798281198e+00 2.28 -4.791114974e+00 2.30 -4.776071178e+00 2.32 -4.753849009e+00 2.34 -4.725101615e+00 2.36 -4.690438767e+00 2.38 -4.650429405e+00 2.40 -4.605604043e+00 2.42 -4.556457061e+00 2.44 -4.503448864e+00 2.46 -4.447007937e+00 2.48 -4.387532790e+00 2.50 -4.325393794e+00 2.52 -4.260934917e+00 2.54 -4.194475374e+00 2.56 -4.126311174e+00 2.58 -4.056716590e+00 2.60 -3.985945540e+00 2.62 -3.914232891e+00 2.64 -3.841795684e+00 2.66 -3.768834291e+00 2.68 -3.695533496e+00 2.70 -3.622063506e+00 2.72 -3.548580901e+00 2.74 -3.475229513e+00 2.76 -3.402141239e+00 2.78 -3.329436795e+00 2.80 -3.257226396e+00 2.82 -3.185610376e+00 2.84 -3.114679733e+00 2.86 -3.044516613e+00 2.88 -2.975194704e+00 2.90 -2.906779571e+00 2.92 -2.839328895e+00 2.94 -2.772892631e+00 2.96 -2.707513088e+00 2.98 -2.643224906e+00 3.00 -2.580054964e+00 3.02 -2.518022190e+00 3.04 -2.457137317e+00 3.06 -2.397402587e+00 3.08 -2.338811422e+00 3.10 -2.281348120e+00 3.12 -2.224987608e+00 3.14 -2.169695301e+00 3.16 -2.115427147e+00 3.18 -2.062129889e+00 3.20 -2.009741614e+00 3.22 -1.958192616e+00 3.24 -1.907406572e+00 3.26 -1.857302008e+00 3.28 -1.807793990e+00 3.30 -1.758795934e+00 3.32 -1.710221402e+00 3.34 -1.661985767e+00 3.36 -1.614007606e+00 3.38 -1.566209746e+00 3.40 -1.518519933e+00 3.42 -1.470871140e+00 3.44 -1.423201623e+00 3.46 -1.375454861e+00 3.48 -1.327579554e+00 3.50 -1.279529872e+00 3.52 -1.231266121e+00 3.54 -1.182755963e+00 3.56 -1.133976283e+00 3.58 -1.084915699e+00 3.60 -1.035577668e+00 3.62 -9.859840232e-01 3.64 -9.361787113e-01 3.66 -8.862313886e-01 3.68 -8.362404794e-01 3.70 -7.863352440e-01 3.72 -7.366763953e-01 3.74 -6.874548619e-01 3.76 -6.388884106e-01 3.78 -5.912160265e-01 3.80 -5.446901953e-01 3.82 -4.995674881e-01 3.84 -4.560981025e-01 3.86 -4.145151845e-01 3.88 -3.750248394e-01 3.90 -3.377976835e-01 3.92 -3.029626218e-01 3.94 -2.706032708e-01 3.96 -2.407571460e-01 3.98 -2.134174468e-01 4.00 -1.885369486e-01 4.02 -1.660335713e-01 4.04 -1.457969045e-01 4.06 -1.276951234e-01 4.08 -1.115816832e-01 4.10 -9.730147838e-02 4.12 -8.469625314e-02 4.14 -7.360799706e-02 4.16 -6.388335395e-02 4.18 -5.537943566e-02 4.20 -4.796178214e-02 4.22 -4.150564888e-02 4.24 -3.589675237e-02 4.26 -3.103148073e-02 4.28 -2.681671340e-02 4.30 -2.316937014e-02 4.32 -2.001578498e-02 4.34 -1.729097925e-02 4.36 -1.493788908e-02 4.38 -1.290658753e-02 4.40 -1.115352883e-02 4.42 -9.640833002e-03 4.44 -8.335621411e-03 4.46 -7.209409003e-03 4.48 -6.237554809e-03 4.50 -5.398769825e-03 4.52 -4.674679635e-03 4.54 -4.049438157e-03 4.56 -3.509388315e-03 4.58 -3.042765189e-03 4.60 -2.639437257e-03 4.62 -2.290681526e-03 4.64 -1.988988582e-03 4.66 -1.727893933e-03 4.68 -1.501832324e-03 4.70 -1.306012089e-03 4.72 -1.136306895e-03 4.74 -9.891625587e-04 4.76 -8.615168825e-04 4.78 -7.507307410e-04 4.80 -6.545288555e-04 4.82 -5.709489090e-04 4.84 -4.982978321e-04 4.86 -4.351142561e-04 4.88 -3.801362604e-04 4.90 -3.322736658e-04 4.92 -2.905842281e-04 4.94 -2.542531817e-04 4.96 -2.225756558e-04 4.98 -1.949415560e-04 5.00 -1.708225610e-04 5.02 -1.497609357e-04 5.04 -1.313599021e-04 5.06 -1.152753499e-04 5.08 -1.012086944e-04 5.10 -8.890072294e-05 5.12 -7.812628991e-05 5.14 -6.868974068e-05 5.16 -6.042096292e-05 5.18 -5.317197779e-05 5.20 -4.681399565e-05 5.22 -4.123487176e-05 5.24 -3.633690637e-05 5.26 -3.203494207e-05 5.28 -2.825471708e-05 5.30 -2.493143950e-05 5.32 -2.200855214e-05 5.34 -1.943666206e-05 5.36 -1.717261233e-05 5.38 -1.517867672e-05 5.40 -1.342186067e-05 5.42 -1.187329424e-05 5.44 -1.050770469e-05 5.46 -9.302958046e-06 5.48 -8.239660296e-06 5.50 -7.300810469e-06 5.52 -6.471498604e-06 5.54 -5.738642682e-06 5.56 -5.090759393e-06 5.58 -4.517764303e-06 5.60 -4.010797555e-06 5.62 -3.562071779e-06 5.64 -3.164739300e-06 5.66 -2.812776163e-06 5.68 -2.500880803e-06 5.70 -2.224385438e-06 5.72 -1.979178587e-06 5.74 -1.761637265e-06 5.76 -1.568567632e-06 5.78 -1.397153009e-06 5.80 -1.244908336e-06 5.82 -1.109640241e-06 5.84 -9.894120418e-07 5.86 -8.825130208e-07 5.88 -7.874314728e-07 5.90 -7.028310318e-07 5.92 -6.275298794e-07 5.94 -5.604824716e-07 5.96 -5.007634734e-07 5.98 -4.475536300e-07 6.00 -4.001273355e-07 6.02 -3.578416894e-07 6.04 -3.201268600e-07 6.06 -2.864775960e-07 6.08 -2.564457456e-07 6.10 -2.296336606e-07 6.12 -2.056883793e-07 6.14 -1.842964942e-07 6.16 -1.651796219e-07 6.18 -1.480904032e-07 6.20 -1.328089696e-07 6.22 -1.191398208e-07 6.24 -1.069090659e-07 6.26 -9.596198152e-08 6.28 -8.616085386e-08 6.30 -7.738306748e-08 6.32 -6.951941430e-08 6.34 -6.247259571e-08 6.36 -5.615589557e-08 6.38 -5.049200448e-08 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