# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ti # implementation = 2004--Zhou-X-W--Ti--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 Ti Ti 0.02 1.286997365e+04 0.04 6.433009200e+03 0.06 4.287354383e+03 0.08 3.214526975e+03 0.10 2.570830530e+03 0.12 2.141699566e+03 0.14 1.835177450e+03 0.16 1.605285862e+03 0.18 1.426481294e+03 0.20 1.283437640e+03 0.22 1.166401922e+03 0.24 1.068872158e+03 0.26 9.863469726e+02 0.28 9.156110995e+02 0.30 8.543066762e+02 0.32 8.006653058e+02 0.34 7.533346848e+02 0.36 7.112630218e+02 0.38 6.736199548e+02 0.40 6.397411945e+02 0.42 6.090889829e+02 0.44 5.812233359e+02 0.46 5.557807887e+02 0.48 5.324584537e+02 0.50 5.107108123e+02 0.52 4.801460022e+02 0.54 4.511125247e+02 0.56 4.237935971e+02 0.58 3.980878377e+02 0.60 3.738999566e+02 0.62 3.511403787e+02 0.64 3.297248892e+02 0.66 3.095743029e+02 0.68 2.906141543e+02 0.70 2.727744074e+02 0.72 2.559891847e+02 0.74 2.401965133e+02 0.76 2.253380878e+02 0.78 2.113590478e+02 0.80 1.982077704e+02 0.82 1.858356748e+02 0.84 1.741970402e+02 0.86 1.632488346e+02 0.88 1.529505544e+02 0.90 1.432640739e+02 0.92 1.341535043e+02 0.94 1.255850610e+02 0.96 1.175269389e+02 0.98 1.099491962e+02 1.00 1.028236441e+02 1.02 9.612374344e+01 1.04 8.982450824e+01 1.06 8.390241407e+01 1.08 7.833531241e+01 1.10 7.310235003e+01 1.12 6.818389306e+01 1.14 6.356145561e+01 1.16 5.921763261e+01 1.18 5.513603662e+01 1.20 5.130123831e+01 1.22 4.769855854e+01 1.24 4.431413656e+01 1.26 4.113536610e+01 1.28 3.815035170e+01 1.30 3.534785552e+01 1.32 3.271726309e+01 1.34 3.024855074e+01 1.36 2.793225449e+01 1.38 2.575944055e+01 1.40 2.372168053e+01 1.42 2.181125640e+01 1.44 2.002124044e+01 1.46 1.834505642e+01 1.48 1.677642874e+01 1.50 1.530937396e+01 1.52 1.393819187e+01 1.54 1.265745639e+01 1.56 1.146200616e+01 1.58 1.034693516e+01 1.60 9.307583116e+00 1.62 8.339526113e+00 1.64 7.438567121e+00 1.66 6.600726714e+00 1.68 5.822233907e+00 1.70 5.099517165e+00 1.72 4.429195617e+00 1.74 3.808070486e+00 1.76 3.233116751e+00 1.78 2.701475054e+00 1.80 2.210443865e+00 1.82 1.757471900e+00 1.84 1.340150815e+00 1.86 9.562081536e-01 1.88 6.035005715e-01 1.90 2.800073199e-01 1.92 -1.617600573e-02 1.94 -2.868434588e-01 1.96 -5.336844802e-01 1.98 -7.582893882e-01 2.00 -9.621546246e-01 2.02 -1.146687764e+00 2.04 -1.313212295e+00 2.06 -1.462972175e+00 2.08 -1.597136169e+00 2.10 -1.716801988e+00 2.12 -1.823000214e+00 2.14 -1.916698040e+00 2.16 -1.998802822e+00 2.18 -2.070165451e+00 2.20 -2.131583554e+00 2.22 -2.183804533e+00 2.24 -2.227528440e+00 2.26 -2.263410714e+00 2.28 -2.292064759e+00 2.30 -2.314064396e+00 2.32 -2.329946183e+00 2.34 -2.340211603e+00 2.36 -2.345329142e+00 2.38 -2.345736249e+00 2.40 -2.341841188e+00 2.42 -2.334024793e+00 2.44 -2.322642119e+00 2.46 -2.308024003e+00 2.48 -2.290478544e+00 2.50 -2.270292486e+00 2.52 -2.247732537e+00 2.54 -2.223046602e+00 2.56 -2.196464955e+00 2.58 -2.168201332e+00 2.60 -2.138453973e+00 2.62 -2.107406595e+00 2.64 -2.075229311e+00 2.66 -2.042079501e+00 2.68 -2.008102617e+00 2.70 -1.973432958e+00 2.72 -1.938194389e+00 2.74 -1.902501018e+00 2.76 -1.866457834e+00 2.78 -1.830161308e+00 2.80 -1.793699955e+00 2.82 -1.757154866e+00 2.84 -1.720600203e+00 2.86 -1.684103666e+00 2.88 -1.647726934e+00 2.90 -1.611526076e+00 2.92 -1.575551933e+00 2.94 -1.539850489e+00 2.96 -1.504463201e+00 2.98 -1.469427325e+00 3.00 -1.434776214e+00 3.02 -1.400539592e+00 3.04 -1.366743824e+00 3.06 -1.333412158e+00 3.08 -1.300564954e+00 3.10 -1.268219901e+00 3.12 -1.236392218e+00 3.14 -1.205094843e+00 3.16 -1.174338608e+00 3.18 -1.144132406e+00 3.20 -1.114483341e+00 3.22 -1.085396876e+00 3.24 -1.056876966e+00 3.26 -1.028926182e+00 3.28 -1.001545829e+00 3.30 -9.747360558e-01 3.32 -9.484959555e-01 3.34 -9.228236613e-01 3.36 -8.977164345e-01 3.38 -8.731707466e-01 3.40 -8.491823563e-01 3.42 -8.257463802e-01 3.44 -8.028573596e-01 3.46 -7.805093214e-01 3.48 -7.586958358e-01 3.50 -7.374100690e-01 3.52 -7.166448325e-01 3.54 -6.963926287e-01 3.56 -6.766456930e-01 3.58 -6.573960328e-01 3.60 -6.386354639e-01 3.62 -6.203556432e-01 3.64 -6.025480999e-01 3.66 -5.852042632e-01 3.68 -5.683154887e-01 3.70 -5.518730816e-01 3.72 -5.358683185e-01 3.74 -5.202924669e-01 3.76 -5.051368028e-01 3.78 -4.903926266e-01 3.80 -4.760512767e-01 3.82 -4.621041420e-01 3.84 -4.485426721e-01 3.86 -4.353583855e-01 3.88 -4.225428765e-01 3.90 -4.100878199e-01 3.92 -3.979849735e-01 3.94 -3.862261789e-01 3.96 -3.748033600e-01 3.98 -3.637085197e-01 4.00 -3.529337338e-01 4.02 -3.424711434e-01 4.04 -3.323129455e-01 4.06 -3.224513819e-01 4.08 -3.128787269e-01 4.10 -3.035872753e-01 4.12 -2.945693310e-01 4.14 -2.858171972e-01 4.16 -2.773231710e-01 4.18 -2.690795420e-01 4.20 -2.610785986e-01 4.22 -2.533126419e-01 4.24 -2.457740093e-01 4.26 -2.384551068e-01 4.28 -2.313484507e-01 4.30 -2.244467166e-01 4.32 -2.177427921e-01 4.34 -2.112298308e-01 4.36 -2.049013018e-01 4.38 -1.987510322e-01 4.40 -1.927732368e-01 4.42 -1.869625337e-01 4.44 -1.813139442e-01 4.46 -1.758228771e-01 4.48 -1.704850998e-01 4.50 -1.652966983e-01 4.52 -1.602540315e-01 4.54 -1.553536822e-01 4.56 -1.505924084e-01 4.58 -1.459670995e-01 4.60 -1.414747365e-01 4.62 -1.371123609e-01 4.64 -1.328770491e-01 4.66 -1.287658949e-01 4.68 -1.247759975e-01 4.70 -1.209044554e-01 4.72 -1.171483640e-01 4.74 -1.135048164e-01 4.76 -1.099709065e-01 4.78 -1.065437340e-01 4.80 -1.032204088e-01 4.82 -9.999805633e-02 4.84 -9.687382292e-02 4.86 -9.384488015e-02 4.88 -9.090842886e-02 4.90 -8.806170223e-02 4.92 -8.530196804e-02 4.94 -8.262653008e-02 4.96 -8.003272877e-02 4.98 -7.751794095e-02 5.00 -7.507957892e-02 5.02 -7.271508883e-02 5.04 -7.042194835e-02 5.06 -6.819766376e-02 5.08 -6.603976651e-02 5.10 -6.394580924e-02 5.12 -6.191336136e-02 5.14 -5.994000427e-02 5.16 -5.802332621e-02 5.18 -5.616091690e-02 5.20 -5.435036123e-02 5.22 -5.258913944e-02 5.24 -5.087476705e-02 5.26 -4.920481127e-02 5.28 -4.757681181e-02 5.30 -4.598827778e-02 5.32 -4.443668610e-02 5.34 -4.291948153e-02 5.36 -4.143407931e-02 5.38 -3.997787080e-02 5.40 -3.854823315e-02 5.42 -3.714254379e-02 5.44 -3.575820079e-02 5.46 -3.439265019e-02 5.48 -3.304342107e-02 5.50 -3.170816947e-02 5.52 -3.038473156e-02 5.54 -2.907118618e-02 5.56 -2.776592606e-02 5.58 -2.646773633e-02 5.60 -2.517587728e-02 5.62 -2.389016741e-02 5.64 -2.261106100e-02 5.66 -2.133971322e-02 5.68 -2.007802472e-02 5.70 -1.882865718e-02 5.72 -1.759501213e-02 5.74 -1.638116691e-02 5.76 -1.519176487e-02 5.78 -1.403186116e-02 5.80 -1.290673025e-02 5.82 -1.182164651e-02 5.84 -1.078165297e-02 5.86 -9.791336081e-03 5.88 -8.854624276e-03 5.90 -7.974626228e-03 5.92 -7.153520170e-03 5.94 -6.392500215e-03 5.96 -5.691779506e-03 5.98 -5.050644592e-03 6.00 -4.467551293e-03 6.02 -3.940249902e-03 6.04 -3.465926956e-03 6.06 -3.041351711e-03 6.08 -2.663017408e-03 6.10 -2.327269945e-03 6.12 -2.030419206e-03 6.14 -1.768830710e-03 6.16 -1.538997194e-03 6.18 -1.337591208e-03 6.20 -1.161500746e-03 6.22 -1.007850406e-03 6.24 -8.740107792e-04 6.26 -7.575986279e-04 6.28 -6.564702151e-04 6.30 -5.687098015e-04 6.32 -4.926149888e-04 6.34 -4.266802441e-04 6.36 -3.695796357e-04 6.38 -3.201495402e-04 6.40 -2.773718614e-04 6.42 -2.403581234e-04 6.44 -2.083346594e-04 6.46 -1.806290156e-04 6.48 -1.566576111e-04 6.50 -1.359146400e-04 6.52 -1.179621672e-04 6.54 -1.024213436e-04 6.56 -8.896664336e-05 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