# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Mendelev-M-I-Underwood-T-L-Ackland-G-J--Ti-2 # implementation = 2016--Mendelev-M-I--Ti-2--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 2.393746637e+04 0.14 1.828419761e+04 0.16 1.431945142e+04 0.18 1.143404367e+04 0.20 9.273321649e+03 0.22 7.618174642e+03 0.24 6.326692248e+03 0.26 5.303383710e+03 0.28 4.481942721e+03 0.30 3.815106256e+03 0.32 3.268434344e+03 0.34 2.816356180e+03 0.36 2.439577711e+03 0.38 2.123335750e+03 0.40 1.856194421e+03 0.42 1.629198351e+03 0.44 1.435266058e+03 0.46 1.268748443e+03 0.48 1.125102894e+03 0.50 1.000649687e+03 0.52 8.923878274e+02 0.54 7.978544068e+02 0.56 7.150162020e+02 0.58 6.421854104e+02 0.60 5.779536430e+02 0.62 5.211398509e+02 0.64 4.707489703e+02 0.66 4.259388779e+02 0.68 3.859938356e+02 0.70 3.503030334e+02 0.72 3.183431640e+02 0.74 2.896642033e+02 0.76 2.638777530e+02 0.78 2.406474426e+02 0.80 2.196810635e+02 0.82 2.007244710e+02 0.84 1.835563861e+02 0.86 1.679837253e+02 0.88 1.538376365e+02 0.90 1.409700273e+02 0.92 1.292506229e+02 0.94 1.185645812e+02 0.96 1.088104672e+02 0.98 9.989839260e+01 1.00 9.174828118e+01 1.02 8.427502737e+01 1.04 7.740602961e+01 1.06 7.109016755e+01 1.08 6.528079168e+01 1.10 5.993529890e+01 1.12 5.501475088e+01 1.14 5.048353131e+01 1.16 4.630905448e+01 1.18 4.246158023e+01 1.20 3.891400578e+01 1.22 3.564162381e+01 1.24 3.262190156e+01 1.26 2.983428111e+01 1.28 2.725999883e+01 1.30 2.488192189e+01 1.32 2.268440038e+01 1.34 2.065313325e+01 1.36 1.877504677e+01 1.38 1.703817912e+01 1.40 1.543156659e+01 1.42 1.394515113e+01 1.44 1.256970100e+01 1.46 1.129673883e+01 1.48 1.011847622e+01 1.50 9.027754369e+00 1.52 8.017990081e+00 1.54 7.083126642e+00 1.56 6.217589146e+00 1.58 5.416243797e+00 1.60 4.674360855e+00 1.62 3.987580858e+00 1.64 3.351883831e+00 1.66 2.763561195e+00 1.68 2.219190134e+00 1.70 1.715610187e+00 1.72 1.249901869e+00 1.74 8.193671341e-01 1.76 4.215115076e-01 1.78 5.402774718e-02 1.80 -2.852191116e-01 1.82 -5.982054468e-01 1.84 -8.867615900e-01 1.86 -1.152583318e+00 1.88 -1.397242387e+00 1.90 -1.622196196e+00 1.92 -1.828796649e+00 1.94 -2.018298296e+00 1.96 -2.191865806e+00 1.98 -2.350580829e+00 2.00 -2.495448312e+00 2.02 -2.627402296e+00 2.04 -2.747311257e+00 2.06 -2.855983017e+00 2.08 -2.954169264e+00 2.10 -3.042569718e+00 2.12 -3.121835967e+00 2.14 -3.192575005e+00 2.16 -3.255352494e+00 2.18 -3.310695768e+00 2.20 -3.359096613e+00 2.22 -3.401013830e+00 2.24 -3.436875598e+00 2.26 -3.467081664e+00 2.28 -3.492005364e+00 2.30 -3.511995555e+00 2.32 -3.528874636e+00 2.34 -3.543591511e+00 2.36 -3.555378908e+00 2.38 -3.563716509e+00 2.40 -3.568289677e+00 2.42 -3.568952610e+00 2.44 -3.565695597e+00 2.46 -3.558616079e+00 2.48 -3.547893270e+00 2.50 -3.533766059e+00 2.52 -3.516513979e+00 2.54 -3.496440966e+00 2.56 -3.473861712e+00 2.58 -3.449090363e+00 2.60 -3.422431373e+00 2.62 -3.394172289e+00 2.64 -3.364578289e+00 2.66 -3.333888270e+00 2.68 -3.302312323e+00 2.70 -3.270030416e+00 2.72 -3.237192122e+00 2.74 -3.203917249e+00 2.76 -3.170297221e+00 2.78 -3.136397075e+00 2.80 -3.102257954e+00 2.82 -3.067899967e+00 2.84 -3.033325320e+00 2.86 -2.998521602e+00 2.88 -2.963465153e+00 2.90 -2.928124411e+00 2.92 -2.892463177e+00 2.94 -2.856443726e+00 2.96 -2.820029708e+00 2.98 -2.783188789e+00 3.00 -2.745894997e+00 3.02 -2.708130728e+00 3.04 -2.669888409e+00 3.06 -2.631171783e+00 3.08 -2.591996826e+00 3.10 -2.552392296e+00 3.12 -2.512399908e+00 3.14 -2.472074188e+00 3.16 -2.431482005e+00 3.18 -2.390701830e+00 3.20 -2.349822776e+00 3.22 -2.308942447e+00 3.24 -2.268154972e+00 3.26 -2.227540528e+00 3.28 -2.187165717e+00 3.30 -2.147084907e+00 3.32 -2.107341502e+00 3.34 -2.067969136e+00 3.36 -2.028992757e+00 3.38 -1.990429700e+00 3.40 -1.952290606e+00 3.42 -1.914580374e+00 3.44 -1.877298932e+00 3.46 -1.840442047e+00 3.48 -1.804002040e+00 3.50 -1.767968397e+00 3.52 -1.732328389e+00 3.54 -1.697067623e+00 3.56 -1.662170531e+00 3.58 -1.627620813e+00 3.60 -1.593401837e+00 3.62 -1.559497001e+00 3.64 -1.525890050e+00 3.66 -1.492565353e+00 3.68 -1.459508137e+00 3.70 -1.426704693e+00 3.72 -1.394142554e+00 3.74 -1.361810735e+00 3.76 -1.329699804e+00 3.78 -1.297801672e+00 3.80 -1.266109912e+00 3.82 -1.234620513e+00 3.84 -1.203330278e+00 3.86 -1.172237804e+00 3.88 -1.141344888e+00 3.90 -1.110651996e+00 3.92 -1.080165569e+00 3.94 -1.049888059e+00 3.96 -1.019830509e+00 3.98 -9.899960276e-01 4.00 -9.604018926e-01 4.02 -9.310495049e-01 4.04 -9.019601934e-01 4.06 -8.731436452e-01 4.08 -8.446035687e-01 4.10 -8.163825352e-01 4.12 -7.884636676e-01 4.14 -7.608515036e-01 4.16 -7.336237864e-01 4.18 -7.067046787e-01 4.20 -6.795020805e-01 4.22 -6.527457003e-01 4.24 -6.271353664e-01 4.26 -6.031428252e-01 4.28 -5.814895547e-01 4.30 -5.613688658e-01 4.32 -5.408753614e-01 4.34 -5.188393040e-01 4.36 -4.946559890e-01 4.38 -4.681366255e-01 4.40 -4.393832188e-01 4.42 -4.085473529e-01 4.44 -3.767700225e-01 4.46 -3.452485300e-01 4.48 -3.148117381e-01 4.50 -2.860065513e-01 4.52 -2.591672141e-01 4.54 -2.344703186e-01 4.56 -2.119780137e-01 4.58 -1.916715493e-01 4.60 -1.734769735e-01 4.62 -1.572845169e-01 4.64 -1.429629552e-01 4.66 -1.303700225e-01 4.68 -1.193597646e-01 4.70 -1.097875540e-01 4.72 -1.015133576e-01 4.74 -9.440372223e-02 4.76 -8.833285172e-02 4.78 -8.318305944e-02 4.80 -7.884481696e-02 4.82 -7.521656063e-02 4.84 -7.220437390e-02 4.86 -6.972162740e-02 4.88 -6.768863060e-02 4.90 -6.603232819e-02 4.92 -6.468605798e-02 4.94 -6.358937623e-02 4.96 -6.268794834e-02 4.98 -6.193349799e-02 5.00 -6.128380473e-02 5.02 -6.070273910e-02 5.04 -6.016032392e-02 5.06 -5.963281108e-02 5.08 -5.910276458e-02 5.10 -5.855914168e-02 5.12 -5.799712099e-02 5.14 -5.741545992e-02 5.16 -5.681380436e-02 5.18 -5.619241372e-02 5.20 -5.555211096e-02 5.22 -5.489421188e-02 5.24 -5.422043192e-02 5.26 -5.353276880e-02 5.28 -5.283335901e-02 5.30 -5.212430647e-02 5.32 -5.140748127e-02 5.34 -5.068428661e-02 5.36 -4.995539193e-02 5.38 -4.922043008e-02 5.40 -4.847765646e-02 5.42 -4.772367369e-02 5.44 -4.695424319e-02 5.46 -4.616535969e-02 5.48 -4.535341258e-02 5.50 -4.451523757e-02 5.52 -4.364815670e-02 5.54 -4.275000731e-02 5.56 -4.181916098e-02 5.58 -4.085453330e-02 5.60 -3.985558520e-02 5.62 -3.882231669e-02 5.64 -3.775525380e-02 5.66 -3.665542936e-02 5.68 -3.552435839e-02 5.70 -3.436400880e-02 5.72 -3.317676807e-02 5.74 -3.196540638e-02 5.76 -3.073303706e-02 5.78 -2.948307467e-02 5.80 -2.821919148e-02 5.82 -2.694527270e-02 5.84 -2.566537103e-02 5.86 -2.438366106e-02 5.88 -2.310439384e-02 5.90 -2.183185208e-02 5.92 -2.057030647e-02 5.94 -1.932397328e-02 5.96 -1.809697378e-02 5.98 -1.689329567e-02 6.00 -1.571675681e-02 6.02 -1.457097154e-02 6.04 -1.345931981e-02 6.06 -1.238491933e-02 6.08 -1.135060087e-02 6.10 -1.035888689e-02 6.12 -9.411973667e-03 6.14 -8.511716893e-03 6.16 -7.659620963e-03 6.18 -6.856831869e-03 6.20 -6.104133783e-03 6.22 -5.401949293e-03 6.24 -4.750343266e-03 6.26 -4.149030253e-03 6.28 -3.597385369e-03 6.30 -3.094458507e-03 6.32 -2.638991757e-03 6.34 -2.229439846e-03 6.36 -1.863993404e-03 6.38 -1.540604836e-03 6.40 -1.257016541e-03 6.42 -1.010791196e-03 6.44 -7.993438066e-04 6.46 -6.199751959e-04 6.48 -4.699065533e-04 6.50 -3.463146774e-04 6.52 -2.463674905e-04 6.54 -1.672593869e-04 6.56 -1.062459489e-04 6.58 -6.067753930e-05 6.60 -2.803124817e-05 6.62 -5.940650043e-06 6.64 7.777202628e-06 6.66 1.509814912e-05 6.68 1.777127951e-05 6.70 1.730393626e-05 6.72 1.495203816e-05 6.74 1.171643312e-05 6.76 8.346012966e-06 6.78 5.348350270e-06 6.80 3.008643783e-06 6.82 1.417785884e-06 6.84 5.103920889e-07 6.86 1.136594171e-07 6.88 7.947123168e-09 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