# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Mendelev-M-I-Underwood-T-L-Ackland-G-J--Ti-1 # implementation = 2016--Mendelev-M-I--Ti-1--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 2024-11-27 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 2.393134857e+04 0.14 1.827819410e+04 0.16 1.431356567e+04 0.18 1.142829162e+04 0.20 9.267727221e+03 0.22 7.612765659e+03 0.24 6.321496697e+03 0.26 5.298426361e+03 0.28 4.477242553e+03 0.30 3.810676198e+03 0.32 3.264281967e+03 0.34 2.812484378e+03 0.36 2.435985326e+03 0.38 2.120018153e+03 0.40 1.853144059e+03 0.42 1.626405245e+03 0.44 1.432718266e+03 0.46 1.266432486e+03 0.48 1.123004149e+03 0.50 9.987527445e+02 0.52 8.906768184e+02 0.54 7.963133035e+02 0.56 7.136290870e+02 0.58 6.409367205e+02 0.60 5.768283889e+02 0.62 5.201238127e+02 0.64 4.698288711e+02 0.66 4.251025369e+02 0.68 3.852303011e+02 0.70 3.496026981e+02 0.72 3.176978624e+02 0.74 2.890672933e+02 0.76 2.633241828e+02 0.78 2.401338033e+02 0.80 2.192055805e+02 0.82 2.002866454e+02 0.84 1.831564242e+02 0.86 1.676220110e+02 0.88 1.535142779e+02 0.90 1.406846257e+02 0.92 1.290022348e+02 0.94 1.183517016e+02 0.96 1.086310194e+02 0.98 9.974977181e+01 1.00 9.162749722e+01 1.02 8.420438406e+01 1.04 7.742449090e+01 1.06 7.122535248e+01 1.08 6.555117062e+01 1.10 6.035203501e+01 1.12 5.558324245e+01 1.14 5.120470093e+01 1.16 4.718041265e+01 1.18 4.347804516e+01 1.20 4.006854187e+01 1.22 3.692576208e+01 1.24 3.402616301e+01 1.26 3.134851899e+01 1.28 2.887367339e+01 1.30 2.658431911e+01 1.32 2.446480414e+01 1.34 2.250095912e+01 1.36 2.067994431e+01 1.38 1.899011255e+01 1.40 1.742088588e+01 1.42 1.596264738e+01 1.44 1.460664559e+01 1.46 1.334490918e+01 1.48 1.217017074e+01 1.50 1.107579863e+01 1.52 1.005573597e+01 1.54 9.104445967e+00 1.56 8.216862898e+00 1.58 7.388348049e+00 1.60 6.614650166e+00 1.62 5.891869844e+00 1.64 5.216427467e+00 1.66 4.585034314e+00 1.68 3.994666478e+00 1.70 3.442541319e+00 1.72 2.926096181e+00 1.74 2.442969123e+00 1.76 1.990981486e+00 1.78 1.568122072e+00 1.80 1.172532802e+00 1.82 8.024956877e-01 1.84 4.564209932e-01 1.86 1.328364613e-01 1.88 -1.696224913e-01 1.90 -4.522217084e-01 1.92 -7.161364432e-01 1.94 -9.624587930e-01 1.96 -1.192204491e+00 1.98 -1.406319110e+00 2.00 -1.605683744e+00 2.02 -1.791120194e+00 2.04 -1.963395732e+00 2.06 -2.123227450e+00 2.08 -2.271286260e+00 2.10 -2.408200551e+00 2.12 -2.534559547e+00 2.14 -2.650916390e+00 2.16 -2.757790966e+00 2.18 -2.855672498e+00 2.20 -2.945021927e+00 2.22 -3.026274095e+00 2.24 -3.099839752e+00 2.26 -3.166107387e+00 2.28 -3.225444916e+00 2.30 -3.278201273e+00 2.32 -3.325961043e+00 2.34 -3.369979342e+00 2.36 -3.410101748e+00 2.38 -3.446188538e+00 2.40 -3.478123007e+00 2.42 -3.505817705e+00 2.44 -3.529218775e+00 2.46 -3.548308586e+00 2.48 -3.563106881e+00 2.50 -3.573670606e+00 2.52 -3.580092619e+00 2.54 -3.582499446e+00 2.56 -3.581048251e+00 2.58 -3.575923171e+00 2.60 -3.567331162e+00 2.62 -3.555497506e+00 2.64 -3.540661088e+00 2.66 -3.523069583e+00 2.68 -3.502974649e+00 2.70 -3.480627239e+00 2.72 -3.456273116e+00 2.74 -3.430148672e+00 2.76 -3.402477105e+00 2.78 -3.373465040e+00 2.80 -3.343299646e+00 2.82 -3.312146292e+00 2.84 -3.280146799e+00 2.86 -3.247418303e+00 2.88 -3.214052759e+00 2.90 -3.180117109e+00 2.92 -3.145654105e+00 2.94 -3.110683794e+00 2.96 -3.075205645e+00 2.98 -3.039201313e+00 3.00 -3.002637987e+00 3.02 -2.965472306e+00 3.04 -2.927654781e+00 3.06 -2.889134673e+00 3.08 -2.849865265e+00 3.10 -2.809809448e+00 3.12 -2.768945540e+00 3.14 -2.727273252e+00 3.16 -2.684819698e+00 3.18 -2.641645335e+00 3.20 -2.597849726e+00 3.22 -2.553573928e+00 3.24 -2.508971499e+00 3.26 -2.464177733e+00 3.28 -2.419308559e+00 3.30 -2.374462347e+00 3.32 -2.329721613e+00 3.34 -2.285154629e+00 3.36 -2.240816891e+00 3.38 -2.196752566e+00 3.40 -2.152995752e+00 3.42 -2.109571753e+00 3.44 -2.066498163e+00 3.46 -2.023785951e+00 3.48 -1.981440451e+00 3.50 -1.939462218e+00 3.52 -1.897847877e+00 3.54 -1.856590895e+00 3.56 -1.815682263e+00 3.58 -1.775111127e+00 3.60 -1.734865354e+00 3.62 -1.694932052e+00 3.64 -1.655298026e+00 3.66 -1.615950185e+00 3.68 -1.576875896e+00 3.70 -1.538063291e+00 3.72 -1.499501539e+00 3.74 -1.461181176e+00 3.76 -1.423094245e+00 3.78 -1.385234151e+00 3.80 -1.347596039e+00 3.82 -1.310177593e+00 3.84 -1.272977473e+00 3.86 -1.235996333e+00 3.88 -1.199238248e+00 3.90 -1.162706202e+00 3.92 -1.126409412e+00 3.94 -1.090353367e+00 3.96 -1.054552416e+00 3.98 -1.019013236e+00 4.00 -9.837569323e-01 4.02 -9.487889842e-01 4.04 -9.141350340e-01 4.06 -8.798093022e-01 4.08 -8.458202316e-01 4.10 -8.122153075e-01 4.12 -7.789827224e-01 4.14 -7.461322153e-01 4.16 -7.137468341e-01 4.18 -6.817561231e-01 4.20 -6.495734115e-01 4.22 -6.179338553e-01 4.24 -5.875427189e-01 4.26 -5.588771443e-01 4.28 -5.326639337e-01 4.30 -5.081016229e-01 4.32 -4.832899106e-01 4.34 -4.570639983e-01 4.36 -4.288239365e-01 4.38 -3.983854799e-01 4.40 -3.658549443e-01 4.42 -3.313879665e-01 4.44 -2.961293139e-01 4.46 -2.612797618e-01 4.48 -2.276713275e-01 4.50 -1.958537348e-01 4.52 -1.661636980e-01 4.54 -1.387799169e-01 4.56 -1.137662751e-01 4.58 -9.110537651e-02 4.60 -7.072423538e-02 4.62 -5.251365718e-02 4.64 -3.634259897e-02 4.66 -2.206858356e-02 4.68 -9.545054386e-03 4.70 1.373603827e-03 4.72 1.082879156e-02 4.74 1.895569922e-02 4.76 2.588222003e-02 4.78 3.172848426e-02 4.80 3.660679612e-02 4.82 4.062181085e-02 4.84 4.387083432e-02 4.86 4.644416360e-02 4.88 4.842541429e-02 4.90 4.989180218e-02 4.92 5.091436209e-02 4.94 5.155809858e-02 4.96 5.188207037e-02 4.98 5.193941606e-02 5.00 5.177733086e-02 5.02 5.143700582e-02 5.04 5.095354105e-02 5.06 5.035584377e-02 5.08 4.966652079e-02 5.10 4.890177384e-02 5.12 4.807154908e-02 5.14 4.718215885e-02 5.16 4.623895287e-02 5.18 4.524657633e-02 5.20 4.420900533e-02 5.22 4.312960599e-02 5.24 4.201121902e-02 5.26 4.085627215e-02 5.28 3.966692251e-02 5.30 3.844523110e-02 5.32 3.719337202e-02 5.34 3.591387843e-02 5.36 3.460992799e-02 5.38 3.328567023e-02 5.40 3.194659825e-02 5.42 3.059995066e-02 5.44 2.925483179e-02 5.46 2.792172796e-02 5.48 2.661191017e-02 5.50 2.533691472e-02 5.52 2.410809958e-02 5.54 2.293627121e-02 5.56 2.183137669e-02 5.58 2.080225613e-02 5.60 1.985645059e-02 5.62 1.900006065e-02 5.64 1.823765141e-02 5.66 1.757219918e-02 5.68 1.700507593e-02 5.70 1.653606736e-02 5.72 1.616342060e-02 5.74 1.588391801e-02 5.76 1.569297321e-02 5.78 1.558474626e-02 5.80 1.555227439e-02 5.82 1.558761542e-02 5.84 1.568200078e-02 5.86 1.582599542e-02 5.88 1.600966191e-02 5.90 1.622272630e-02 5.92 1.645474340e-02 5.94 1.669525932e-02 5.96 1.693396924e-02 5.98 1.716086868e-02 6.00 1.736639640e-02 6.02 1.754156753e-02 6.04 1.767809553e-02 6.06 1.776850176e-02 6.08 1.780621156e-02 6.10 1.778563603e-02 6.12 1.770223869e-02 6.14 1.755258644e-02 6.16 1.733438448e-02 6.18 1.704649481e-02 6.20 1.668893824e-02 6.22 1.626287998e-02 6.24 1.577059904e-02 6.26 1.521544164e-02 6.28 1.460175944e-02 6.30 1.393483292e-02 6.32 1.322078106e-02 6.34 1.246645809e-02 6.36 1.167933860e-02 6.38 1.086739222e-02 6.40 1.003894941e-02 6.42 9.202559974e-03 6.44 8.366845971e-03 6.46 7.540351162e-03 6.48 6.731388911e-03 6.50 5.947890879e-03 6.52 5.197258910e-03 6.54 4.486222676e-03 6.56 3.820705806e-03 6.58 3.205703392e-03 6.60 2.645173904e-03 6.62 2.141948730e-03 6.64 1.697662689e-03 6.66 1.312709031e-03 6.68 9.862226129e-04 6.70 7.160950641e-04 6.72 4.990259454e-04 6.74 3.306140401e-04 6.76 2.054930872e-04 6.78 1.175164161e-04 6.80 5.999510610e-05 6.82 2.599444663e-05 6.84 8.693635490e-06 6.86 1.813808254e-06 6.88 1.196502170e-07 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