# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Lin-Y-S-Purja-Pun-G-P-Mishin-Y--Ta # implementation = 2022--Lin-Y-S--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 1.379718223e+04 0.04 1.267598171e+04 0.06 1.164579651e+04 0.08 1.069924190e+04 0.10 9.829532074e+03 0.12 9.030431664e+03 0.14 8.296211049e+03 0.16 7.621605367e+03 0.18 7.001776818e+03 0.20 6.432280036e+03 0.22 5.909030260e+03 0.24 5.428274090e+03 0.26 4.986562615e+03 0.28 4.580726716e+03 0.30 4.207854377e+03 0.32 3.865269825e+03 0.34 3.550514380e+03 0.36 3.261328834e+03 0.38 2.995637281e+03 0.40 2.751532246e+03 0.42 2.527261018e+03 0.44 2.321213105e+03 0.46 2.131908688e+03 0.48 1.957988028e+03 0.50 1.798201721e+03 0.52 1.651401748e+03 0.54 1.516533253e+03 0.56 1.392626981e+03 0.58 1.278792338e+03 0.60 1.174211008e+03 0.62 1.078131089e+03 0.64 9.898617054e+02 0.66 9.087680606e+02 0.68 8.342668844e+02 0.70 7.658222555e+02 0.72 7.029417609e+02 0.74 6.451729666e+02 0.76 5.921001757e+02 0.78 5.433414492e+02 0.80 4.985458686e+02 0.82 4.573910205e+02 0.84 4.195806859e+02 0.86 3.848427163e+02 0.88 3.529270831e+02 0.90 3.236040841e+02 0.92 2.966626969e+02 0.94 2.719090644e+02 0.96 2.491651047e+02 0.98 2.282672320e+02 1.00 2.090651831e+02 1.02 1.914209370e+02 1.04 1.752077239e+02 1.06 1.603091127e+02 1.08 1.466181736e+02 1.10 1.340367081e+02 1.12 1.224745403e+02 1.14 1.118488669e+02 1.16 1.020836585e+02 1.18 9.310910946e+01 1.20 8.486113205e+01 1.22 7.728089136e+01 1.24 7.031437737e+01 1.26 6.391201141e+01 1.28 5.802828421e+01 1.30 5.262142290e+01 1.32 4.765308462e+01 1.34 4.308807475e+01 1.36 3.889408760e+01 1.38 3.504146798e+01 1.40 3.150299181e+01 1.42 2.825366448e+01 1.44 2.527053545e+01 1.46 2.253252792e+01 1.48 2.002028238e+01 1.50 1.771601303e+01 1.52 1.560337610e+01 1.54 1.366734915e+01 1.56 1.189412059e+01 1.58 1.027098855e+01 1.60 8.786268475e+00 1.62 7.429208725e+00 1.64 6.189913530e+00 1.66 5.059272691e+00 1.68 4.028897448e+00 1.70 3.091061947e+00 1.72 2.238649775e+00 1.74 1.465105054e+00 1.76 7.643876165e-01 1.78 1.309318130e-01 1.80 -4.403914537e-01 1.82 -9.543098407e-01 1.84 -1.415182150e+00 1.86 -1.827028664e+00 1.88 -2.193559467e+00 1.90 -2.518200931e+00 1.92 -2.804120511e+00 1.94 -3.054249940e+00 1.96 -3.271306883e+00 1.98 -3.457815088e+00 2.00 -3.616123038e+00 2.02 -3.748421112e+00 2.04 -3.856757246e+00 2.06 -3.943051108e+00 2.08 -4.009106802e+00 2.10 -4.056624136e+00 2.12 -4.087208503e+00 2.14 -4.102379456e+00 2.16 -4.103578053e+00 2.18 -4.092173067e+00 2.20 -4.069466164e+00 2.22 -4.036696143e+00 2.24 -3.995042331e+00 2.26 -3.945627219e+00 2.28 -3.889518413e+00 2.30 -3.827729980e+00 2.32 -3.761223229e+00 2.34 -3.690907024e+00 2.36 -3.617637676e+00 2.38 -3.542218497e+00 2.40 -3.465399115e+00 2.42 -3.387874638e+00 2.44 -3.310284802e+00 2.46 -3.233213209e+00 2.48 -3.157186806e+00 2.50 -3.082675713e+00 2.52 -3.010093542e+00 2.54 -2.939798285e+00 2.56 -2.872093870e+00 2.58 -2.807232407e+00 2.60 -2.745417158e+00 2.62 -2.686806168e+00 2.64 -2.631516514e+00 2.66 -2.579629051e+00 2.68 -2.531193523e+00 2.70 -2.486233867e+00 2.72 -2.444753550e+00 2.74 -2.406740738e+00 2.76 -2.372173122e+00 2.78 -2.341022246e+00 2.80 -2.313257163e+00 2.82 -2.288847339e+00 2.84 -2.267764680e+00 2.86 -2.249984681e+00 2.88 -2.235486646e+00 2.90 -2.224253049e+00 2.92 -2.216268073e+00 2.94 -2.211515444e+00 2.96 -2.209975682e+00 2.98 -2.211622898e+00 3.00 -2.216421313e+00 3.02 -2.224321651e+00 3.04 -2.235257556e+00 3.06 -2.249142215e+00 3.08 -2.265865291e+00 3.10 -2.285290330e+00 3.12 -2.307252716e+00 3.14 -2.331558278e+00 3.16 -2.357982607e+00 3.18 -2.386271120e+00 3.20 -2.416139884e+00 3.22 -2.447277192e+00 3.24 -2.479345872e+00 3.26 -2.511986259e+00 3.28 -2.544819776e+00 3.30 -2.577453033e+00 3.32 -2.609482345e+00 3.34 -2.640498571e+00 3.36 -2.670092145e+00 3.38 -2.697858205e+00 3.40 -2.723401688e+00 3.42 -2.746342297e+00 3.44 -2.766319238e+00 3.46 -2.782995627e+00 3.48 -2.796062509e+00 3.50 -2.805242407e+00 3.52 -2.810292364e+00 3.54 -2.811006434e+00 3.56 -2.807217598e+00 3.58 -2.798799104e+00 3.60 -2.785665215e+00 3.62 -2.767771397e+00 3.64 -2.745113941e+00 3.66 -2.717729072e+00 3.68 -2.685691562e+00 3.70 -2.649112898e+00 3.72 -2.608139044e+00 3.74 -2.562947857e+00 3.76 -2.513746199e+00 3.78 -2.460766813e+00 3.80 -2.404265004e+00 3.82 -2.344515208e+00 3.84 -2.281807478e+00 3.86 -2.216443967e+00 3.88 -2.148735446e+00 3.90 -2.078997911e+00 3.92 -2.007549331e+00 3.94 -1.934706566e+00 3.96 -1.860782504e+00 3.98 -1.786083429e+00 4.00 -1.710906663e+00 4.02 -1.635538481e+00 4.04 -1.560252317e+00 4.06 -1.485307272e+00 4.08 -1.410946906e+00 4.10 -1.337398328e+00 4.12 -1.264871556e+00 4.14 -1.193559145e+00 4.16 -1.123636059e+00 4.18 -1.055259770e+00 4.20 -9.885705570e-01 4.22 -9.236919934e-01 4.24 -8.607315835e-01 4.26 -7.997815371e-01 4.28 -7.409196528e-01 4.30 -6.842102871e-01 4.32 -6.297053894e-01 4.34 -5.774455807e-01 4.36 -5.274612576e-01 4.38 -4.797737031e-01 4.40 -4.343961891e-01 4.42 -3.913350555e-01 4.44 -3.505907545e-01 4.46 -3.121588480e-01 4.48 -2.760309496e-01 4.50 -2.421956045e-01 4.52 -2.106391007e-01 4.54 -1.813462067e-01 4.56 -1.543008351e-01 4.58 -1.294866276e-01 4.60 -1.068874642e-01 4.62 -8.648789505e-02 4.64 -6.827349827e-02 4.66 -5.223116585e-02 4.68 -3.834932145e-02 4.70 -2.661807396e-02 4.72 -1.702931140e-02 4.74 -9.576740334e-03 4.76 -4.255875566e-03 4.78 -1.063985753e-03 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