# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2021--Sivaraman-G-Guo-J-Ward-L-et-al--Li-Cl # implementation = 2021--Sivaraman-G--Li-Cl--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 17 17 3 3 17 3 0.02 7.821709748e+00 7.746502182e-01 2.083093719e+01 0.04 8.038432209e+00 8.093959085e-01 2.093379766e+01 0.06 8.256528857e+00 8.449579395e-01 2.102203850e+01 0.08 8.475788221e+00 8.813288953e-01 2.109533526e+01 0.10 8.695990130e+00 9.184996152e-01 2.115338741e+01 0.12 8.916905948e+00 9.564591415e-01 2.119591959e+01 0.14 9.138298826e+00 9.951946689e-01 2.122268273e+01 0.16 9.359923986e+00 1.034691496e+00 2.123345517e+01 0.18 9.581529048e+00 1.074932981e+00 2.122804365e+01 0.20 9.802854366e+00 1.115900496e+00 2.120628429e+01 0.22 1.002363341e+01 1.157573393e+00 2.116804349e+01 0.24 1.024359318e+01 1.199928963e+00 2.111321867e+01 0.26 1.046245463e+01 1.242942408e+00 2.104173908e+01 0.28 1.067993313e+01 1.286586811e+00 2.095356639e+01 0.30 1.089573899e+01 1.330833112e+00 2.084869525e+01 0.32 1.110957792e+01 1.375650096e+00 2.072715381e+01 0.34 1.132115166e+01 1.421004372e+00 2.058900403e+01 0.36 1.153015848e+01 1.466860371e+00 2.043434203e+01 0.38 1.173629380e+01 1.513180342e+00 2.026329822e+01 0.40 1.193925083e+01 1.559924359e+00 2.007603744e+01 0.42 1.213872121e+01 1.607050330e+00 1.987275882e+01 0.44 1.233439563e+01 1.654514017e+00 1.965369571e+01 0.46 1.252596457e+01 1.702269062e+00 1.941911533e+01 0.48 1.271311899e+01 1.750267021e+00 1.916931833e+01 0.50 1.289555102e+01 1.798457404e+00 1.890463820e+01 0.52 1.307295472e+01 1.846787728e+00 1.862544056e+01 0.54 1.324502681e+01 1.895203576e+00 1.833212222e+01 0.56 1.341146744e+01 1.943648665e+00 1.802511017e+01 0.58 1.357198098e+01 1.992064925e+00 1.770486040e+01 0.60 1.372627673e+01 2.040392587e+00 1.737185661e+01 0.62 1.387406977e+01 2.088570284e+00 1.702660877e+01 0.64 1.401508172e+01 2.136535156e+00 1.666965167e+01 0.66 1.414904150e+01 2.184222975e+00 1.630154334e+01 0.68 1.427568617e+01 2.231568274e+00 1.592286344e+01 0.70 1.439476167e+01 2.278504486e+00 1.553421160e+01 0.72 1.450602363e+01 2.324964100e+00 1.513620579e+01 0.74 1.460923810e+01 2.370878822e+00 1.472948058e+01 0.76 1.470418237e+01 2.416179749e+00 1.431468544e+01 0.78 1.479064568e+01 2.460797553e+00 1.389248299e+01 0.80 1.486842998e+01 2.504662673e+00 1.346354723e+01 0.82 1.493735065e+01 2.547705518e+00 1.302856176e+01 0.84 1.499723718e+01 2.589856676e+00 1.258821794e+01 0.86 1.504793390e+01 2.631047134e+00 1.214321301e+01 0.88 1.508930062e+01 2.671208499e+00 1.169424826e+01 0.90 1.512121324e+01 2.710273232e+00 1.124202712e+01 0.92 1.514356444e+01 2.748174876e+00 1.078725327e+01 0.94 1.515626417e+01 2.784848296e+00 1.033062882e+01 0.96 1.515924028e+01 2.820229918e+00 9.872852433e+00 0.98 1.515243899e+01 2.854257962e+00 9.414617605e+00 1.00 1.513582540e+01 2.886872680e+00 8.956610933e+00 1.02 1.510938391e+01 2.918016586e+00 8.499510511e+00 1.04 1.507311863e+01 2.947634681e+00 8.043984410e+00 1.06 1.502705373e+01 2.975674674e+00 7.590689269e+00 1.08 1.497123373e+01 3.002087181e+00 7.140268996e+00 1.10 1.490572374e+01 3.026825927e+00 6.693353585e+00 1.12 1.483060963e+01 3.049847923e+00 6.250558060e+00 1.14 1.474599816e+01 3.071113631e+00 5.812481524e+00 1.16 1.465201698e+01 3.090587107e+00 5.379706321e+00 1.18 1.454881456e+01 3.108236126e+00 4.952797302e+00 1.20 1.443656009e+01 3.124032281e+00 4.532301167e+00 1.22 1.431544321e+01 3.137951065e+00 4.118745889e+00 1.24 1.418567363e+01 3.149971915e+00 3.712640174e+00 1.26 1.404748071e+01 3.160078239e+00 3.314472967e+00 1.28 1.390111281e+01 3.168257413e+00 2.924712943e+00 1.30 1.374683663e+01 3.174500750e+00 2.543808001e+00 1.32 1.358493632e+01 3.178803439e+00 2.172184692e+00 1.34 1.341571256e+01 3.181164464e+00 1.810247599e+00 1.36 1.323948137e+01 3.181586496e+00 1.458378615e+00 1.38 1.305657297e+01 3.180075766e+00 1.116936135e+00 1.40 1.286733037e+01 3.176641915e+00 7.862541234e-01 1.42 1.267210797e+01 3.171297843e+00 4.666410841e-01 1.44 1.247126999e+01 3.164059534e+00 1.583789197e-01 1.46 1.226518891e+01 3.154945894e+00 -1.382782859e-01 1.48 1.205424380e+01 3.143978580e+00 -4.231055396e-01 1.50 1.183881869e+01 3.131181845e+00 -6.959082238e-01 1.52 1.161930089e+01 3.116582389e+00 -9.565233463e-01 1.54 1.139607944e+01 3.100209237e+00 -1.204820701e+00 1.56 1.116954356e+01 3.082093634e+00 -1.440703879e+00 1.58 1.094008120e+01 3.062268965e+00 -1.664111073e+00 1.60 1.070807771e+01 3.040770704e+00 -1.875015615e+00 1.62 1.047391470e+01 3.017636383e+00 -2.073426206e+00 1.64 1.023796896e+01 2.992905599e+00 -2.259386786e+00 1.66 1.000061157e+01 2.966620028e+00 -2.432976028e+00 1.68 9.762207190e+00 2.938823468e+00 -2.594306446e+00 1.70 9.523113444e+00 2.909561895e+00 -2.743523110e+00 1.72 9.283680458e+00 2.878883517e+00 -2.880802008e+00 1.74 9.044250524e+00 2.846838846e+00 -3.006348069e+00 1.76 8.805157841e+00 2.813480750e+00 -3.120392927e+00 1.78 8.566728335e+00 2.778864504e+00 -3.223192455e+00 1.80 8.329279530e+00 2.743047818e+00 -3.315024164e+00 1.82 8.093120430e+00 2.706090852e+00 -3.396184524e+00 1.84 7.858551409e+00 2.668056193e+00 -3.466986289e+00 1.86 7.625864069e+00 2.629008809e+00 -3.527755891e+00 1.88 7.395341061e+00 2.589015969e+00 -3.578830977e+00 1.90 7.167255839e+00 2.548147123e+00 -3.620558138e+00 1.92 6.941872342e+00 2.506473747e+00 -3.653290877e+00 1.94 6.719444592e+00 2.464069145e+00 -3.677387869e+00 1.96 6.500216207e+00 2.421008223e+00 -3.693211501e+00 1.98 6.284419816e+00 2.377367208e+00 -3.701126744e+00 2.00 6.072276400e+00 2.333223343e+00 -3.701500312e+00 2.02 5.863994549e+00 2.288654538e+00 -3.694700113e+00 2.04 5.659769656e+00 2.243738995e+00 -3.681094952e+00 2.06 5.459783076e+00 2.198554798e+00 -3.661054440e+00 2.08 5.264201248e+00 2.153179487e+00 -3.634949055e+00 2.10 5.073174840e+00 2.107689602e+00 -3.603150290e+00 2.12 4.886837919e+00 2.062160233e+00 -3.566030822e+00 2.14 4.705307191e+00 2.016664552e+00 -3.523964632e+00 2.16 4.528681349e+00 1.971273362e+00 -3.477327007e+00 2.18 4.357040549e+00 1.926054656e+00 -3.426494359e+00 2.20 4.190446054e+00 1.881073207e+00 -3.371843822e+00 2.22 4.028940068e+00 1.836390184e+00 -3.313752581e+00 2.24 3.872545779e+00 1.792062823e+00 -3.252596915e+00 2.26 3.721267625e+00 1.748144141e+00 -3.188750961e+00 2.28 3.575091779e+00 1.704682708e+00 -3.122585207e+00 2.30 3.433986861e+00 1.661722481e+00 -3.054464764e+00 2.32 3.297904847e+00 1.619302703e+00 -2.984747455e+00 2.34 3.166782162e+00 1.577457856e+00 -2.913781806e+00 2.36 3.040540919e+00 1.536217681e+00 -2.841904981e+00 2.38 2.919090275e+00 1.495607245e+00 -2.769440780e+00 2.40 2.802327866e+00 1.455647062e+00 -2.696697727e+00 2.42 2.690141276e+00 1.416353245e+00 -2.623967350e+00 2.44 2.582409504e+00 1.377737700e+00 -2.551522697e+00 2.46 2.479004402e+00 1.339808332e+00 -2.479617121e+00 2.48 2.379792042e+00 1.302569268e+00 -2.408483384e+00 2.50 2.284633999e+00 1.266021095e+00 -2.338333079e+00 2.52 2.193388521e+00 1.230161080e+00 -2.269356374e+00 2.54 2.105911588e+00 1.194983402e+00 -2.201722063e+00 2.56 2.022057839e+00 1.160479364e+00 -2.135577910e+00 2.58 1.941681385e+00 1.126637589e+00 -2.071051242e+00 2.60 1.864636491e+00 1.093444213e+00 -2.008249764e+00 2.62 1.790778156e+00 1.060883048e+00 -1.947262549e+00 2.64 1.719962586e+00 1.028935745e+00 -1.888161181e+00 2.66 1.652047586e+00 9.975819290e-01 -1.831000979e+00 2.68 1.586892865e+00 9.667993312e-01 -1.775822308e+00 2.70 1.524360285e+00 9.365639093e-01 -1.722651907e+00 2.72 1.464314063e+00 9.068499581e-01 -1.671504232e+00 2.74 1.406620923e+00 8.776302165e-01 -1.622382774e+00 2.76 1.351150230e+00 8.488759717e-01 -1.575281344e+00 2.78 1.297774096e+00 8.205571620e-01 -1.530185301e+00 2.80 1.246367477e+00 7.926424825e-01 -1.487072720e+00 2.82 1.196808261e+00 7.650994928e-01 -1.445915479e+00 2.84 1.148977356e+00 7.378947310e-01 -1.406680275e+00 2.86 1.102758775e+00 7.109938344e-01 -1.369329555e+00 2.88 1.058039733e+00 6.843616676e-01 -1.333822369e+00 2.90 1.014710738e+00 6.579624599e-01 -1.300115127e+00 2.92 9.726657012e-01 6.317599537e-01 -1.268162293e+00 2.94 9.318020447e-01 6.057175624e-01 -1.237916986e+00 2.96 8.920208215e-01 5.797985410e-01 -1.209331507e+00 2.98 8.532268414e-01 5.539661687e-01 -1.182357798e+00 3.00 8.153288037e-01 5.281839439e-01 -1.156947818e+00 3.02 7.782394365e-01 5.024157929e-01 -1.133053865e+00 3.04 7.418756415e-01 4.766262921e-01 -1.110628822e+00 3.06 7.061586435e-01 4.507809045e-01 -1.089626348e+00 3.08 6.710141449e-01 4.248462294e-01 -1.070001005e+00 3.10 6.363724829e-01 3.987902679e-01 -1.051708337e+00 3.12 6.021687897e-01 3.725827010e-01 -1.034704893e+00 3.14 5.683431538e-01 3.461951831e-01 -1.018948199e+00 3.16 5.348407815e-01 3.196016479e-01 -1.004396691e+00 3.18 5.016121571e-01 2.927786272e-01 -9.910096055e-01 3.20 4.686131998e-01 2.657055807e-01 -9.787468271e-01 3.22 4.358054154e-01 2.383652351e-01 -9.675687134e-01 3.24 4.031560399e-01 2.107439300e-01 -9.574358864e-01 3.26 3.706381721e-01 1.828319684e-01 -9.483090031e-01 3.28 3.382308924e-01 1.546239655e-01 -9.401485107e-01 3.30 3.059193622e-01 1.261191948e-01 -9.329143919e-01 3.32 2.736949017e-01 9.732192256e-02 -9.265659067e-01 3.34 2.415550396e-01 6.824172637e-02 -9.210613392e-01 3.36 2.095035302e-01 3.889379021e-02 -9.163577558e-01 3.38 1.775503332e-01 9.299167608e-03 -9.124107827e-01 3.40 1.457115497e-01 -2.051499514e-02 -9.091744114e-01 3.42 1.140093108e-01 -5.051528493e-02 -9.066008383e-01 3.44 8.247161308e-02 -8.066190611e-02 -9.046403466e-01 3.46 5.113209644e-02 -1.109086322e-01 -9.032412365e-01 3.48 2.002976328e-02 -1.412028337e-01 -9.023498096e-01 3.50 -1.079136502e-02 -1.714855897e-01 -9.019104111e-01 3.52 -4.128265349e-02 -2.016918903e-01 -9.018655328e-01 3.54 -7.139131973e-02 -2.317509336e-01 -9.021559781e-01 3.56 -1.010609578e-01 -2.615865217e-01 -9.027210883e-01 3.58 -1.302321146e-01 -2.911175544e-01 -9.034990252e-01 3.60 -1.588429112e-01 -3.202586186e-01 -9.044271083e-01 3.62 -1.868297015e-01 -3.489206699e-01 -9.054421966e-01 3.64 -2.141277559e-01 -3.770117950e-01 -9.064811076e-01 3.66 -2.406719601e-01 -4.044380482e-01 -9.074810630e-01 3.68 -2.663975153e-01 -4.311043451e-01 -9.083801510e-01 3.70 -2.912406279e-01 -4.569154009e-01 -9.091177921e-01 3.72 -3.151391757e-01 -4.817766966e-01 -9.096351974e-01 3.74 -3.380333400e-01 -5.055954547e-01 -9.098758098e-01 3.76 -3.598661929e-01 -5.282816081e-01 -9.097857172e-01 3.78 -3.805842324e-01 -5.497487466e-01 -9.093140291e-01 3.80 -4.001378594e-01 -5.699150236e-01 -9.084132137e-01 3.82 -4.184817928e-01 -5.887040119e-01 -9.070393877e-01 3.84 -4.355754233e-01 -6.060454963e-01 -9.051525609e-01 3.86 -4.513831064e-01 -6.218761943e-01 -9.027168349e-01 3.88 -4.658743993e-01 -6.361403989e-01 -8.997005582e-01 3.90 -4.790242464e-01 -6.487905390e-01 -8.960764433e-01 3.92 -4.908131204e-01 -6.597876561e-01 -8.918216503e-01 3.94 -5.012271261e-01 -6.691017947e-01 -8.869178433e-01 3.96 -5.102580736e-01 -6.767123094e-01 -8.813512249e-01 3.98 -5.179035266e-01 -6.826080863e-01 -8.751125546e-01 4.00 -5.241668314e-01 -6.867876823e-01 -8.681971538e-01 4.02 -5.290571289e-01 -6.892593803e-01 -8.606049016e-01 4.04 -5.325893508e-01 -6.900411623e-01 -8.523402200e-01 4.06 -5.347841999e-01 -6.891605975e-01 -8.434120484e-01 4.08 -5.356681096e-01 -6.866546451e-01 -8.338338049e-01 4.10 -5.352731802e-01 -6.825693701e-01 -8.236233278e-01 4.12 -5.336370844e-01 -6.769595703e-01 -8.128027941e-01 4.14 -5.308029363e-01 -6.698883134e-01 -8.013986071e-01 4.16 -5.268191157e-01 -6.614263848e-01 -7.894412470e-01 4.18 -5.217390440e-01 -6.516516474e-01 -7.769650797e-01 4.20 -5.156209029e-01 -6.406483188e-01 -7.640081174e-01 4.22 -5.085272961e-01 -6.285061702e-01 -7.506117308e-01 4.24 -5.005248505e-01 -6.153196590e-01 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