# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2006--Kim-Y-M-Lee-B-J-Baskes-M-I--Ti # implementation = 2006--Kim-Y-M--Ti--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 3.013353132e+02 0.04 2.887876150e+02 0.06 2.767315649e+02 0.08 2.651486150e+02 0.10 2.540208993e+02 0.12 2.433312084e+02 0.14 2.330629663e+02 0.16 2.232002073e+02 0.18 2.137275541e+02 0.20 2.046301964e+02 0.22 1.958938706e+02 0.24 1.875048397e+02 0.26 1.794498748e+02 0.28 1.717162360e+02 0.30 1.642916554e+02 0.32 1.571643193e+02 0.34 1.503228523e+02 0.36 1.437563011e+02 0.38 1.374541192e+02 0.40 1.314061523e+02 0.42 1.256026236e+02 0.44 1.200341206e+02 0.46 1.146915816e+02 0.48 1.095662827e+02 0.50 1.046498259e+02 0.52 9.993412695e+01 0.54 9.541140401e+01 0.56 9.107416649e+01 0.58 8.691520451e+01 0.60 8.292757860e+01 0.62 7.910460980e+01 0.64 7.543987013e+01 0.66 7.192717338e+01 0.68 6.856056624e+01 0.70 6.533431979e+01 0.72 6.224292121e+01 0.74 5.928106586e+01 0.76 5.644364963e+01 0.78 5.372576157e+01 0.80 5.112267672e+01 0.82 4.862984934e+01 0.84 4.624290621e+01 0.86 4.395764032e+01 0.88 4.177000472e+01 0.90 3.967610659e+01 0.92 3.767220154e+01 0.94 3.575468810e+01 0.96 3.392010247e+01 0.98 3.216511335e+01 1.00 3.048651707e+01 1.02 2.888123283e+01 1.04 2.734629812e+01 1.06 2.587886433e+01 1.08 2.447619252e+01 1.10 2.313564930e+01 1.12 2.185470292e+01 1.14 2.063091947e+01 1.16 1.946195919e+01 1.18 1.834557300e+01 1.20 1.727959905e+01 1.22 1.626195952e+01 1.24 1.529065738e+01 1.26 1.436377342e+01 1.28 1.347946332e+01 1.30 1.263595479e+01 1.32 1.183154492e+01 1.34 1.106459750e+01 1.36 1.033354054e+01 1.38 9.636863870e+00 1.40 8.973116729e+00 1.42 8.340905583e+00 1.44 7.738891929e+00 1.46 7.165790212e+00 1.48 6.620365819e+00 1.50 6.101433138e+00 1.52 5.607853699e+00 1.54 5.138534378e+00 1.56 4.692425669e+00 1.58 4.268520019e+00 1.60 3.865850230e+00 1.62 3.483487910e+00 1.64 3.120541998e+00 1.66 2.776157325e+00 1.68 2.449513245e+00 1.70 2.139822309e+00 1.72 1.846328988e+00 1.74 1.568308450e+00 1.76 1.305065379e+00 1.78 1.055932836e+00 1.80 8.202711703e-01 1.82 5.974669643e-01 1.84 3.869320247e-01 1.86 1.881024075e-01 1.88 4.374822526e-04 1.90 -1.765809680e-01 1.92 -3.434496125e-01 1.94 -5.006444049e-01 1.96 -6.486213850e-01 1.98 -7.878174471e-01 2.00 -9.186510804e-01 2.02 -1.041523079e+00 2.04 -1.156817226e+00 2.06 -1.264900949e+00 2.08 -1.366125951e+00 2.10 -1.460828816e+00 2.12 -1.549331592e+00 2.14 -1.631942346e+00 2.16 -1.708955703e+00 2.18 -1.780653362e+00 2.20 -1.847304584e+00 2.22 -1.909166672e+00 2.24 -1.966485423e+00 2.26 -2.019495565e+00 2.28 -2.068421176e+00 2.30 -2.113476082e+00 2.32 -2.154864245e+00 2.34 -2.192780133e+00 2.36 -2.227409071e+00 2.38 -2.258927584e+00 2.40 -2.287503718e+00 2.42 -2.313297358e+00 2.44 -2.336460526e+00 2.46 -2.357137669e+00 2.48 -2.375465936e+00 2.50 -2.391575447e+00 2.52 -2.405589545e+00 2.54 -2.417625051e+00 2.56 -2.427792497e+00 2.58 -2.436196358e+00 2.60 -2.442935280e+00 2.62 -2.448102292e+00 2.64 -2.451785024e+00 2.66 -2.454065908e+00 2.68 -2.455022383e+00 2.70 -2.454727094e+00 2.72 -2.453248087e+00 2.74 -2.450648999e+00 2.76 -2.446989253e+00 2.78 -2.442324247e+00 2.80 -2.436705541e+00 2.82 -2.430181046e+00 2.84 -2.422795216e+00 2.86 -2.414589234e+00 2.88 -2.405601202e+00 2.90 -2.395866335e+00 2.92 -2.385417152e+00 2.94 -2.374283666e+00 2.96 -2.362493585e+00 2.98 -2.350072497e+00 3.00 -2.337044075e+00 3.02 -2.323430263e+00 3.04 -2.309251475e+00 3.06 -2.294526785e+00 3.08 -2.279274113e+00 3.10 -2.263510415e+00 3.12 -2.247251861e+00 3.14 -2.230514008e+00 3.16 -2.213311970e+00 3.18 -2.195660574e+00 3.20 -2.177574511e+00 3.22 -2.159068470e+00 3.24 -2.140157265e+00 3.26 -2.120855948e+00 3.28 -2.101179902e+00 3.30 -2.081144927e+00 3.32 -2.060767303e+00 3.34 -2.040063841e+00 3.36 -2.019051912e+00 3.38 -1.997749469e+00 3.40 -1.976175043e+00 3.42 -1.954347725e+00 3.44 -1.932287142e+00 3.46 -1.910013406e+00 3.48 -1.887547058e+00 3.50 -1.864909005e+00 3.52 -1.842120435e+00 3.54 -1.819202737e+00 3.56 -1.796177405e+00 3.58 -1.773065947e+00 3.60 -1.749889787e+00 3.62 -1.726670163e+00 3.64 -1.703428034e+00 3.66 -1.680183985e+00 3.68 -1.656958138e+00 3.70 -1.633770066e+00 3.72 -1.610638719e+00 3.74 -1.587582349e+00 3.76 -1.564618454e+00 3.78 -1.541763722e+00 3.80 -1.519033985e+00 3.82 -1.496444190e+00 3.84 -1.474008367e+00 3.86 -1.451739615e+00 3.88 -1.429650091e+00 3.90 -1.407751014e+00 3.92 -1.386052664e+00 3.94 -1.364564403e+00 3.96 -1.343294692e+00 3.98 -1.322251113e+00 4.00 -1.301440403e+00 4.02 -1.280868486e+00 4.04 -1.260540509e+00 4.06 -1.240460883e+00 4.08 -1.220633321e+00 4.10 -1.201060886e+00 4.12 -1.181746029e+00 4.14 -1.162690635e+00 4.16 -1.143896062e+00 4.18 -1.125363189e+00 4.20 -1.107092451e+00 4.22 -1.089083883e+00 4.24 -1.071337154e+00 4.26 -1.053851603e+00 4.28 -1.036626277e+00 4.30 -1.019659957e+00 4.32 -1.002951190e+00 4.34 -9.864983169e-01 4.36 -9.702994959e-01 4.38 -9.543527256e-01 4.40 -9.386558663e-01 4.42 -9.232066579e-01 4.44 -9.080027377e-01 4.46 -8.930416546e-01 4.48 -8.783208832e-01 4.50 -8.638378354e-01 4.52 -8.495898709e-01 4.54 -8.355743070e-01 4.56 -8.217884262e-01 4.58 -8.082294841e-01 4.60 -7.948947149e-01 4.62 -7.817813377e-01 4.64 -7.688865609e-01 4.66 -7.562075866e-01 4.68 -7.437416145e-01 4.70 -7.314858448e-01 4.72 -7.177937213e-01 4.74 -6.817718367e-01 4.76 -5.689368448e-01 4.78 -3.100824242e-01 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