# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2008--Hennig-R-G-Lenosky-T-J-Trinkle-D-R-et-al--Ti # implementation = 2008--Hennig-R-G--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 3.899412914e+01 0.04 3.858992123e+01 0.06 3.818571332e+01 0.08 3.778150541e+01 0.10 3.737729751e+01 0.12 3.697308960e+01 0.14 3.656888169e+01 0.16 3.616467378e+01 0.18 3.576046587e+01 0.20 3.535625796e+01 0.22 3.495205006e+01 0.24 3.454784215e+01 0.26 3.414363424e+01 0.28 3.373942633e+01 0.30 3.333521842e+01 0.32 3.293101051e+01 0.34 3.252680261e+01 0.36 3.212259470e+01 0.38 3.171838679e+01 0.40 3.131417888e+01 0.42 3.090997097e+01 0.44 3.050576307e+01 0.46 3.010155516e+01 0.48 2.969734725e+01 0.50 2.929313934e+01 0.52 2.888893143e+01 0.54 2.848472352e+01 0.56 2.808051562e+01 0.58 2.767630771e+01 0.60 2.727209980e+01 0.62 2.686789189e+01 0.64 2.646368398e+01 0.66 2.605947607e+01 0.68 2.565526817e+01 0.70 2.525106026e+01 0.72 2.484685235e+01 0.74 2.444264444e+01 0.76 2.403843653e+01 0.78 2.363422863e+01 0.80 2.323002072e+01 0.82 2.282581281e+01 0.84 2.242160490e+01 0.86 2.201739699e+01 0.88 2.161318908e+01 0.90 2.120898118e+01 0.92 2.080477327e+01 0.94 2.040056536e+01 0.96 1.999635745e+01 0.98 1.959214954e+01 1.00 1.918794163e+01 1.02 1.878373373e+01 1.04 1.837952582e+01 1.06 1.797531791e+01 1.08 1.757111000e+01 1.10 1.716690209e+01 1.12 1.676269418e+01 1.14 1.635848628e+01 1.16 1.595427837e+01 1.18 1.555007046e+01 1.20 1.514586255e+01 1.22 1.474165464e+01 1.24 1.433744674e+01 1.26 1.393323883e+01 1.28 1.352903092e+01 1.30 1.312482301e+01 1.32 1.272061510e+01 1.34 1.231640719e+01 1.36 1.191219929e+01 1.38 1.150799138e+01 1.40 1.110378347e+01 1.42 1.069957556e+01 1.44 1.029536765e+01 1.46 9.891159745e+00 1.48 9.486951836e+00 1.50 9.082743928e+00 1.52 8.678536020e+00 1.54 8.274328112e+00 1.56 7.870120203e+00 1.58 7.465912295e+00 1.60 7.061704387e+00 1.62 6.657496479e+00 1.64 6.253288570e+00 1.66 5.849080662e+00 1.68 5.444872754e+00 1.70 5.040664846e+00 1.72 4.636456938e+00 1.74 4.232249029e+00 1.76 3.842696573e+00 1.78 3.490617780e+00 1.80 3.174110112e+00 1.82 2.890909406e+00 1.84 2.638751498e+00 1.86 2.415372223e+00 1.88 2.218507417e+00 1.90 2.045892916e+00 1.92 1.895264556e+00 1.94 1.764358171e+00 1.96 1.650909599e+00 1.98 1.552654675e+00 2.00 1.467329234e+00 2.02 1.392669112e+00 2.04 1.326410146e+00 2.06 1.265324724e+00 2.08 1.179864047e+00 2.10 1.060846966e+00 2.12 9.135232285e-01 2.14 7.431425812e-01 2.16 5.549547723e-01 2.18 3.542095495e-01 2.20 1.461566603e-01 2.22 -6.395414760e-02 2.24 -2.708731265e-01 2.26 -4.693505288e-01 2.28 -6.541366067e-01 2.30 -8.200783155e-01 2.32 -9.650429525e-01 2.34 -1.090440482e+00 2.36 -1.197882869e+00 2.38 -1.288970165e+00 2.40 -1.365087550e+00 2.42 -1.427433816e+00 2.44 -1.477201572e+00 2.46 -1.515583428e+00 2.48 -1.543771994e+00 2.50 -1.562959879e+00 2.52 -1.574339693e+00 2.54 -1.579065913e+00 2.56 -1.577851728e+00 2.58 -1.571126587e+00 2.60 -1.559315256e+00 2.62 -1.542842496e+00 2.64 -1.522133070e+00 2.66 -1.497611743e+00 2.68 -1.469703278e+00 2.70 -1.438844030e+00 2.72 -1.405533249e+00 2.74 -1.370291410e+00 2.76 -1.333639006e+00 2.78 -1.296065313e+00 2.80 -1.257889185e+00 2.82 -1.219371603e+00 2.84 -1.180773502e+00 2.86 -1.142355817e+00 2.88 -1.104379483e+00 2.90 -1.067105433e+00 2.92 -1.030794602e+00 2.94 -9.957079256e-01 2.96 -9.621063377e-01 2.98 -9.302507731e-01 3.00 -9.004021370e-01 3.02 -8.726916099e-01 3.04 -8.468741137e-01 3.06 -8.226377735e-01 3.08 -7.996707143e-01 3.10 -7.776610610e-01 3.12 -7.562969385e-01 3.14 -7.352664718e-01 3.16 -7.142577859e-01 3.18 -6.929590057e-01 3.20 -6.710582562e-01 3.22 -6.482436623e-01 3.24 -6.242085437e-01 3.26 -5.989143835e-01 3.28 -5.727150578e-01 3.30 -5.459956177e-01 3.32 -5.191376181e-01 3.34 -4.924677595e-01 3.36 -4.662691765e-01 3.38 -4.408238029e-01 3.40 -4.164135725e-01 3.42 -3.933204191e-01 3.44 -3.718262766e-01 3.46 -3.522130787e-01 3.48 -3.347461136e-01 3.50 -3.194250672e-01 3.52 -3.060363647e-01 3.54 -2.943604124e-01 3.56 -2.841776164e-01 3.58 -2.752683828e-01 3.60 -2.674131178e-01 3.62 -2.603922275e-01 3.64 -2.539962422e-01 3.66 -2.480652787e-01 3.68 -2.424546106e-01 3.70 -2.370195155e-01 3.72 -2.316279465e-01 3.74 -2.262377314e-01 3.76 -2.208455377e-01 3.78 -2.154481870e-01 3.80 -2.100425011e-01 3.82 -2.046253018e-01 3.84 -1.991934106e-01 3.86 -1.937436493e-01 3.88 -1.882728397e-01 3.90 -1.827778035e-01 3.92 -1.772553623e-01 3.94 -1.717021733e-01 3.96 -1.661076631e-01 3.98 -1.604624729e-01 4.00 -1.547607397e-01 4.02 -1.489966008e-01 4.04 -1.431641935e-01 4.06 -1.372576549e-01 4.08 -1.312711222e-01 4.10 -1.251987326e-01 4.12 -1.190346234e-01 4.14 -1.127729318e-01 4.16 -1.064077949e-01 4.18 -9.993367657e-02 4.20 -9.337742528e-02 4.22 -8.682527566e-02 4.24 -8.036981978e-02 4.26 -7.410333227e-02 4.28 -6.811372443e-02 4.30 -6.248573617e-02 4.32 -5.730403597e-02 4.34 -5.265329230e-02 4.36 -4.861817363e-02 4.38 -4.528334842e-02 4.40 -4.273348514e-02 4.42 -4.094956196e-02 4.44 -3.935821514e-02 4.46 -3.784870323e-02 4.48 -3.640998726e-02 4.50 -3.503102829e-02 4.52 -3.370078736e-02 4.54 -3.240822552e-02 4.56 -3.114230380e-02 4.58 -2.989377061e-02 4.60 -2.866128385e-02 4.62 -2.744568869e-02 4.64 -2.624783034e-02 4.66 -2.506855402e-02 4.68 -2.390870496e-02 4.70 -2.276912838e-02 4.72 -2.165066950e-02 4.74 -2.055417353e-02 4.76 -1.948048571e-02 4.78 -1.843045125e-02 4.80 -1.740491537e-02 4.82 -1.640472331e-02 4.84 -1.543072026e-02 4.86 -1.448375147e-02 4.88 -1.356465927e-02 4.90 -1.267408200e-02 4.92 -1.181232212e-02 4.94 -1.097965082e-02 4.96 -1.017633928e-02 4.98 -9.402658675e-03 5.00 -8.658880179e-03 5.02 -7.945274972e-03 5.04 -7.262114229e-03 5.06 -6.609669130e-03 5.08 -5.988210849e-03 5.10 -5.398010565e-03 5.12 -4.839339454e-03 5.14 -4.312468694e-03 5.16 -3.817669462e-03 5.18 -3.355212935e-03 5.20 -2.925328034e-03 5.22 -2.527731905e-03 5.24 -2.161801487e-03 5.26 -1.826907581e-03 5.28 -1.522420987e-03 5.30 -1.247712505e-03 5.32 -1.002152937e-03 5.34 -7.851130816e-04 5.36 -5.959637409e-04 5.38 -4.340757150e-04 5.40 -2.988198043e-04 5.42 -1.895668096e-04 5.44 -1.056875312e-04 5.46 -4.655276979e-05 5.48 -1.153332587e-05 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