# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Mendelev-M-I-Underwood-T-L-Ackland-G-J--Ti-3 # implementation = 2016--Mendelev-M-I--Ti-3--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 Ti Ti 0.02 4.183503419e+13 0.04 1.683503419e+13 0.06 8.501700860e+12 0.08 4.335034193e+12 0.10 8.903073405e+10 0.12 2.392770685e+04 0.14 1.827505751e+04 0.16 1.431090269e+04 0.18 1.142606900e+04 0.20 9.265910825e+03 0.22 7.611321200e+03 0.24 6.320390448e+03 0.26 5.297625776e+03 0.28 4.476716763e+03 0.30 3.810396120e+03 0.32 3.264220260e+03 0.34 2.812615382e+03 0.36 2.436285015e+03 0.38 2.120464082e+03 0.40 1.853715307e+03 0.42 1.627082368e+03 0.44 1.433483245e+03 0.46 1.267268675e+03 0.48 1.123896229e+03 0.50 9.996866703e+02 0.52 8.916397731e+02 0.54 7.972936503e+02 0.56 7.146163223e+02 0.58 6.419214280e+02 0.60 5.778021948e+02 0.62 5.210793410e+02 0.64 4.707597003e+02 0.66 4.260031573e+02 0.68 3.860960732e+02 0.70 3.504298114e+02 0.72 3.184832956e+02 0.74 2.898087753e+02 0.76 2.640201541e+02 0.78 2.407833788e+02 0.80 2.198084958e+02 0.82 2.008430804e+02 0.84 1.836667542e+02 0.86 1.680865791e+02 0.88 1.539332170e+02 0.90 1.410579632e+02 0.92 1.293302379e+02 0.94 1.186352043e+02 0.96 1.088717064e+02 0.98 9.995028370e+01 1.00 9.179123040e+01 1.02 8.431215841e+01 1.04 7.744229682e+01 1.06 7.112959286e+01 1.08 6.532657942e+01 1.10 5.998993014e+01 1.12 5.508006088e+01 1.14 5.056077310e+01 1.16 4.639895688e+01 1.18 4.256442836e+01 1.20 3.902972839e+01 1.22 3.576986865e+01 1.24 3.276209964e+01 1.26 2.998570138e+01 1.28 2.742179452e+01 1.30 2.505316967e+01 1.32 2.286413331e+01 1.34 2.084036830e+01 1.36 1.896880773e+01 1.38 1.723751386e+01 1.40 1.563555651e+01 1.42 1.415291718e+01 1.44 1.278040794e+01 1.46 1.150959815e+01 1.48 1.033274791e+01 1.50 9.242747807e+00 1.52 8.233064112e+00 1.54 7.297689114e+00 1.56 6.431095936e+00 1.58 5.628197488e+00 1.60 4.884309116e+00 1.62 4.195114627e+00 1.64 3.556635345e+00 1.66 2.965201924e+00 1.68 2.417428658e+00 1.70 1.910190054e+00 1.72 1.440599455e+00 1.74 1.005989533e+00 1.76 6.038944615e-01 1.78 2.320336401e-01 1.80 -1.117031968e-01 1.82 -4.292695937e-01 1.84 -7.224748343e-01 1.86 -9.929953482e-01 1.88 -1.242385160e+00 1.90 -1.472085466e+00 1.92 -1.683433410e+00 1.94 -1.877670140e+00 1.96 -2.055948196e+00 1.98 -2.219338297e+00 2.00 -2.368835570e+00 2.02 -2.505365280e+00 2.04 -2.629788097e+00 2.06 -2.742904933e+00 2.08 -2.845461406e+00 2.10 -2.938151936e+00 2.12 -3.021623527e+00 2.14 -3.096479248e+00 2.16 -3.163281444e+00 2.18 -3.222554689e+00 2.20 -3.274788523e+00 2.22 -3.320439969e+00 2.24 -3.359935859e+00 2.26 -3.393674984e+00 2.28 -3.422030081e+00 2.30 -3.445349667e+00 2.32 -3.463959736e+00 2.34 -3.478165335e+00 2.36 -3.488252011e+00 2.38 -3.494487163e+00 2.40 -3.497121299e+00 2.42 -3.496490260e+00 2.44 -3.492519462e+00 2.46 -3.485022063e+00 2.48 -3.474012503e+00 2.50 -3.459649620e+00 2.52 -3.442189496e+00 2.54 -3.421947014e+00 2.56 -3.399265149e+00 2.58 -3.374491091e+00 2.60 -3.347958339e+00 2.62 -3.319973952e+00 2.64 -3.290810191e+00 2.66 -3.260699856e+00 2.68 -3.229834646e+00 2.70 -3.198365947e+00 2.72 -3.166407475e+00 2.74 -3.134039280e+00 2.76 -3.101312657e+00 2.78 -3.068255543e+00 2.80 -3.034878064e+00 2.82 -3.001177914e+00 2.84 -2.967145328e+00 2.86 -2.932767426e+00 2.88 -2.898031804e+00 2.90 -2.862929240e+00 2.92 -2.827455496e+00 2.94 -2.791612189e+00 2.96 -2.755406806e+00 2.98 -2.718851946e+00 3.00 -2.681963956e+00 3.02 -2.644761157e+00 3.04 -2.607261916e+00 3.06 -2.569482871e+00 3.08 -2.531437660e+00 3.10 -2.493136570e+00 3.12 -2.454587549e+00 3.14 -2.415799103e+00 3.16 -2.376785633e+00 3.18 -2.337575806e+00 3.20 -2.298224654e+00 3.22 -2.258826409e+00 3.24 -2.219492452e+00 3.26 -2.180319557e+00 3.28 -2.141388271e+00 3.30 -2.102764480e+00 3.32 -2.064500898e+00 3.34 -2.026638463e+00 3.36 -1.989207606e+00 3.38 -1.952229516e+00 3.40 -1.915717216e+00 3.42 -1.879676688e+00 3.44 -1.844107789e+00 3.46 -1.809005203e+00 3.48 -1.774359287e+00 3.50 -1.740156809e+00 3.52 -1.706381682e+00 3.54 -1.673015620e+00 3.56 -1.640038729e+00 3.58 -1.607430039e+00 3.60 -1.575167996e+00 3.62 -1.543230889e+00 3.64 -1.511597250e+00 3.66 -1.480246189e+00 3.68 -1.449157690e+00 3.70 -1.418312866e+00 3.72 -1.387694188e+00 3.74 -1.357285766e+00 3.76 -1.327073455e+00 3.78 -1.297044678e+00 3.80 -1.267188774e+00 3.82 -1.237497776e+00 3.84 -1.207964821e+00 3.86 -1.178585156e+00 3.88 -1.149357549e+00 3.90 -1.120279765e+00 3.92 -1.091355883e+00 3.94 -1.062586331e+00 3.96 -1.033980463e+00 3.98 -1.005540036e+00 4.00 -9.772813022e-01 4.02 -9.492049606e-01 4.04 -9.213319488e-01 4.06 -8.936718628e-01 4.08 -8.662286074e-01 4.10 -8.390452229e-01 4.12 -8.121055578e-01 4.14 -7.854151162e-01 4.16 -7.590528291e-01 4.18 -7.329442512e-01 4.20 -7.064988586e-01 4.22 -6.804481002e-01 4.24 -6.554936893e-01 4.26 -6.321093810e-01 4.28 -6.110187653e-01 4.30 -5.914173480e-01 4.32 -5.714019895e-01 4.34 -5.498052519e-01 4.36 -5.260247527e-01 4.38 -4.998740265e-01 4.40 -4.714573885e-01 4.42 -4.409286989e-01 4.44 -4.094311777e-01 4.46 -3.781642850e-01 4.48 -3.479589583e-01 4.50 -3.193640792e-01 4.52 -2.927157578e-01 4.54 -2.681923284e-01 4.56 -2.458575471e-01 4.58 -2.256941263e-01 4.60 -2.076294231e-01 4.62 -1.915548159e-01 4.64 -1.773400615e-01 4.66 -1.648437041e-01 4.68 -1.539204246e-01 4.70 -1.444260550e-01 4.72 -1.362208452e-01 4.74 -1.291714509e-01 4.76 -1.231520127e-01 4.78 -1.180446136e-01 4.80 -1.137393338e-01 4.82 -1.101340647e-01 4.84 -1.071342005e-01 4.86 -1.046522890e-01 4.88 -1.026076953e-01 4.90 -1.009263120e-01 4.92 -9.954033197e-02 4.94 -9.838809082e-02 4.96 -9.741397509e-02 4.98 -9.656839092e-02 5.00 -9.580778230e-02 5.02 -9.509468809e-02 5.04 -9.439782644e-02 5.06 -9.369219591e-02 5.08 -9.295918383e-02 5.10 -9.218667386e-02 5.12 -9.136890142e-02 5.14 -9.050383930e-02 5.16 -8.959053632e-02 5.18 -8.862887206e-02 5.20 -8.761953712e-02 5.22 -8.656399315e-02 5.24 -8.546441083e-02 5.26 -8.432358394e-02 5.28 -8.314481746e-02 5.30 -8.193178789e-02 5.32 -8.068837358e-02 5.34 -7.941845314e-02 5.36 -7.812566955e-02 5.38 -7.681315802e-02 5.40 -7.548323516e-02 5.42 -7.413711458e-02 5.44 -7.277531229e-02 5.46 -7.139826017e-02 5.48 -7.000636921e-02 5.50 -6.860003398e-02 5.52 -6.717963850e-02 5.54 -6.574556335e-02 5.56 -6.429819373e-02 5.58 -6.283792824e-02 5.60 -6.136518820e-02 5.62 -5.988042726e-02 5.64 -5.838414114e-02 5.66 -5.687687736e-02 5.68 -5.535924464e-02 5.70 -5.383192205e-02 5.72 -5.229566751e-02 5.74 -5.075132572e-02 5.76 -4.919983520e-02 5.78 -4.764223452e-02 5.80 -4.607966750e-02 5.82 -4.451338724e-02 5.84 -4.294475911e-02 5.86 -4.137526237e-02 5.88 -3.980649056e-02 5.90 -3.824015057e-02 5.92 -3.667806021e-02 5.94 -3.512214457e-02 5.96 -3.357443074e-02 5.98 -3.203704135e-02 6.00 -3.051218651e-02 6.02 -2.900215449e-02 6.04 -2.750930103e-02 6.06 -2.603603731e-02 6.08 -2.458481671e-02 6.10 -2.315812041e-02 6.12 -2.175844181e-02 6.14 -2.038827005e-02 6.16 -1.905007256e-02 6.18 -1.774627678e-02 6.20 -1.647925128e-02 6.22 -1.525128634e-02 6.24 -1.406457404e-02 6.26 -1.292118827e-02 6.28 -1.182306451e-02 6.30 -1.077197988e-02 6.32 -9.769533389e-03 6.34 -8.817126738e-03 6.36 -7.915945835e-03 6.38 -7.066943261e-03 6.40 -6.270821926e-03 6.42 -5.528020146e-03 6.44 -4.838698419e-03 6.46 -4.202728160e-03 6.48 -3.619682680e-03 6.50 -3.088830697e-03 6.52 -2.609132691e-03 6.54 -2.179240413e-03 6.56 -1.797499871e-03 6.58 -1.461958138e-03 6.60 -1.170374333e-03 6.62 -9.202351198e-04 6.64 -7.087751146e-04 6.66 -5.330025742e-04 6.68 -3.897307597e-04 6.70 -2.756153843e-04 6.72 -1.871985595e-04 6.74 -1.209596689e-04 6.76 -7.337360794e-05 6.78 -4.097684085e-05 6.80 -2.044173571e-05 6.82 -8.659651442e-06 6.84 -2.833260545e-06 6.86 -5.786032448e-07 6.88 -3.737994305e-08 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