# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Dong-W-P-Kim-H-K-Ko-W-S-et-al--Co-Al # implementation = 2012--Dong-W-P--Co-Al--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 Al Al Al Co Co Co 0.02 4.975659951e+02 6.330002141e+02 4.395167306e+02 0.04 4.734661677e+02 5.984132083e+02 4.168386505e+02 0.06 4.504710482e+02 5.656410072e+02 3.952506452e+02 0.08 4.285317592e+02 5.345902362e+02 3.747029443e+02 0.10 4.076015248e+02 5.051722697e+02 3.551479537e+02 0.12 3.876355823e+02 4.773029920e+02 3.365401637e+02 0.14 3.685910980e+02 4.509025689e+02 3.188360616e+02 0.16 3.504270862e+02 4.258952323e+02 3.019940475e+02 0.18 3.331043316e+02 4.022090744e+02 2.859743534e+02 0.20 3.165853147e+02 3.797758531e+02 2.707389657e+02 0.22 3.008341406e+02 3.585308060e+02 2.562515511e+02 0.24 2.858164704e+02 3.384124753e+02 2.424773849e+02 0.26 2.714994556e+02 3.193625402e+02 2.293832832e+02 0.28 2.578516748e+02 3.013256582e+02 2.169375366e+02 0.30 2.448430740e+02 2.842493145e+02 2.051098478e+02 0.32 2.324449081e+02 2.680836789e+02 1.938712708e+02 0.34 2.206296856e+02 2.527814694e+02 1.831941536e+02 0.36 2.093711156e+02 2.382978235e+02 1.730520823e+02 0.38 1.986440565e+02 2.245901756e+02 1.634198279e+02 0.40 1.884244672e+02 2.116181401e+02 1.542732956e+02 0.42 1.786893603e+02 1.993434011e+02 1.455894755e+02 0.44 1.694167570e+02 1.877296076e+02 1.373463961e+02 0.46 1.605856445e+02 1.767422731e+02 1.295230791e+02 0.48 1.521759341e+02 1.663486817e+02 1.220994964e+02 0.50 1.441684221e+02 1.565177973e+02 1.150565291e+02 0.52 1.365447517e+02 1.472201791e+02 1.083759274e+02 0.54 1.292873767e+02 1.384278997e+02 1.020402732e+02 0.56 1.223795268e+02 1.301144686e+02 9.603294359e+01 0.58 1.158051743e+02 1.222547591e+02 9.033807603e+01 0.60 1.095490017e+02 1.148249384e+02 8.494053507e+01 0.62 1.035963717e+02 1.078024023e+02 7.982588039e+01 0.64 9.793329765e+01 1.011657120e+02 7.498033624e+01 0.66 9.254641511e+01 9.489453537e+01 7.039076211e+01 0.68 8.742295541e+01 8.896958990e+01 6.604462470e+01 0.70 8.255071965e+01 8.337258950e+01 6.192997103e+01 0.72 7.791805400e+01 7.808619352e+01 5.803540272e+01 0.74 7.351382612e+01 7.309395852e+01 5.435005134e+01 0.76 6.932740242e+01 6.838029239e+01 5.086355486e+01 0.78 6.534862644e+01 6.393041089e+01 4.756603501e+01 0.80 6.156779801e+01 5.973029628e+01 4.444807569e+01 0.82 5.797565340e+01 5.576665818e+01 4.150070229e+01 0.84 5.456334624e+01 5.202689625e+01 3.871536185e+01 0.86 5.132242928e+01 4.849906496e+01 3.608390415e+01 0.88 4.824483692e+01 4.517183993e+01 3.359856353e+01 0.90 4.532286851e+01 4.203448620e+01 3.125194155e+01 0.92 4.254917229e+01 3.907682790e+01 2.903699039e+01 0.94 3.991673010e+01 3.628921963e+01 2.694699696e+01 0.96 3.741884268e+01 3.366251921e+01 2.497556767e+01 0.98 3.504911564e+01 3.118806180e+01 2.311661396e+01 1.00 3.280144599e+01 2.885763542e+01 2.136433831e+01 1.02 3.067000930e+01 2.666345759e+01 1.971322103e+01 1.04 2.864924733e+01 2.459815331e+01 1.815800746e+01 1.06 2.673385629e+01 2.265473401e+01 1.669369589e+01 1.08 2.491877551e+01 2.082657770e+01 1.531552586e+01 1.10 2.319917670e+01 1.910741002e+01 1.401896713e+01 1.12 2.157045353e+01 1.749128636e+01 1.279970899e+01 1.14 2.002821184e+01 1.597257481e+01 1.165365014e+01 1.16 1.856826013e+01 1.454594001e+01 1.057688900e+01 1.18 1.718660052e+01 1.320632785e+01 9.565714426e+00 1.20 1.587942012e+01 1.194895088e+01 8.616596871e+00 1.22 1.464308278e+01 1.076927456e+01 7.726179920e+00 1.24 1.347412112e+01 9.663004152e+00 6.891272225e+00 1.26 1.236922907e+01 8.626072256e+00 6.108839794e+00 1.28 1.132525456e+01 7.654627065e+00 5.375998635e+00 1.30 1.033919268e+01 6.745021152e+00 4.690007738e+00 1.32 9.408179062e+00 5.893800867e+00 4.048262373e+00 1.34 8.529483548e+00 5.097696256e+00 3.448287710e+00 1.36 7.700504203e+00 4.353611512e+00 2.887732724e+00 1.38 6.918761521e+00 3.658615908e+00 2.364364397e+00 1.40 6.181892918e+00 3.009935195e+00 1.876062191e+00 1.42 5.487647452e+00 2.404943445e+00 1.420812787e+00 1.44 4.833880780e+00 1.841155309e+00 9.967050804e-01 1.46 4.218550316e+00 1.316218677e+00 6.019254214e-01 1.48 3.639710615e+00 8.279077088e-01 2.347530947e-01 1.50 3.095508935e+00 3.741162351e-01 -1.064439716e-01 1.52 2.584181000e+00 -4.714851445e-02 -4.232132766e-01 1.54 2.104046941e+00 -4.377718518e-01 -7.170216009e-01 1.56 1.653507402e+00 -7.995372667e-01 -9.892586555e-01 1.58 1.231039826e+00 -1.134131772e+00 -1.241240529e+00 1.60 8.351948860e-01 -1.443150973e+00 -1.474212940e+00 1.62 4.645930843e-01 -1.728103873e+00 -1.689354307e+00 1.64 1.179214902e-01 -1.990417429e+00 -1.887778632e+00 1.66 -2.060693730e-01 -2.231440877e+00 -2.070538212e+00 1.68 -5.085685044e-01 -2.452449824e+00 -2.238626188e+00 1.70 -7.907072661e-01 -2.654650132e+00 -2.392978932e+00 1.72 -1.053562096e+00 -2.839181600e+00 -2.534478285e+00 1.74 -1.298157095e+00 -3.007121450e+00 -2.663953656e+00 1.76 -1.525466492e+00 -3.159487635e+00 -2.782183991e+00 1.78 -1.736416999e+00 -3.297241971e+00 -2.889899626e+00 1.80 -1.931890048e+00 -3.421293105e+00 -2.987784039e+00 1.82 -2.112723927e+00 -3.532499328e+00 -3.076475509e+00 1.84 -2.279715807e+00 -3.631671235e+00 -3.156568707e+00 1.86 -2.433623687e+00 -3.719574254e+00 -3.228616235e+00 1.88 -2.575168225e+00 -3.796931030e+00 -3.293130132e+00 1.90 -2.705034498e+00 -3.864423692e+00 -3.350583364e+00 1.92 -2.823873672e+00 -3.922695994e+00 -3.401411321e+00 1.94 -2.932304589e+00 -3.972355343e+00 -3.446013352e+00 1.96 -3.030915288e+00 -4.013974722e+00 -3.484754336e+00 1.98 -3.120264441e+00 -4.048094511e+00 -3.517966336e+00 2.00 -3.200882735e+00 -4.075224206e+00 -3.545950337e+00 2.02 -3.273274180e+00 -4.095844052e+00 -3.568978104e+00 2.04 -3.337917361e+00 -4.110406590e+00 -3.587294168e+00 2.06 -3.395266632e+00 -4.119338123e+00 -3.601117980e+00 2.08 -3.445753256e+00 -4.123040099e+00 -3.610646238e+00 2.10 -3.489786487e+00 -4.121890436e+00 -3.616055434e+00 2.12 -3.527754616e+00 -4.116244764e+00 -3.617504614e+00 2.14 -3.560025955e+00 -4.106437617e+00 -3.615138385e+00 2.16 -3.586949789e+00 -4.092783560e+00 -3.609090148e+00 2.18 -3.608857281e+00 -4.075578261e+00 -3.599485525e+00 2.20 -3.626062332e+00 -4.055099513e+00 -3.586445910e+00 2.22 -3.638862415e+00 -4.031608209e+00 -3.570092037e+00 2.24 -3.647539358e+00 -4.005349269e+00 -3.550547410e+00 2.26 -3.652360103e+00 -3.976552528e+00 -3.527941413e+00 2.28 -3.653577425e+00 -3.945433582e+00 -3.502411899e+00 2.30 -3.651430623e+00 -3.912194601e+00 -3.474107069e+00 2.32 -3.646146177e+00 -3.877025097e+00 -3.443186484e+00 2.34 -3.637938375e+00 -3.840102670e+00 -3.409821104e+00 2.36 -3.627009920e+00 -3.801593709e+00 -3.374192356e+00 2.38 -3.613552494e+00 -3.761654069e+00 -3.336490289e+00 2.40 -3.597747314e+00 -3.720429711e+00 -3.296910983e+00 2.42 -3.579765648e+00 -3.678057313e+00 -3.255653424e+00 2.44 -3.559769318e+00 -3.634664842e+00 -3.212916117e+00 2.46 -3.537911170e+00 -3.590372104e+00 -3.168893703e+00 2.48 -3.514335532e+00 -3.545291247e+00 -3.123773831e+00 2.50 -3.489178643e+00 -3.499527247e+00 -3.077734488e+00 2.52 -3.462569063e+00 -3.453178344e+00 -3.030941931e+00 2.54 -3.434628069e+00 -3.406336459e+00 -2.983549293e+00 2.56 -3.405470026e+00 -3.359087570e+00 -2.935695861e+00 2.58 -3.375202742e+00 -3.311512061e+00 -2.887506986e+00 2.60 -3.343927806e+00 -3.263685039e+00 -2.839094513e+00 2.62 -3.311740911e+00 -3.215676633e+00 -2.790557623e+00 2.64 -3.278732161e+00 -3.167552257e+00 -2.741983937e+00 2.66 -3.244986358e+00 -3.119372862e+00 -2.693450771e+00 2.68 -3.210583283e+00 -3.071195170e+00 -2.645026413e+00 2.70 -3.175597959e+00 -3.023071892e+00 -2.596771353e+00 2.72 -3.140100899e+00 -2.975051935e+00 -2.548739388e+00 2.74 -3.104158342e+00 -2.927180607e+00 -2.500978587e+00 2.76 -3.067832486e+00 -2.879499811e+00 -2.453532090e+00 2.78 -3.031181694e+00 -2.832048234e+00 -2.406438760e+00 2.80 -2.994260704e+00 -2.784861538e+00 -2.359733700e+00 2.82 -2.957120820e+00 -2.737972542e+00 -2.313448658e+00 2.84 -2.919810094e+00 -2.691411400e+00 -2.267612349e+00 2.86 -2.882373503e+00 -2.645205772e+00 -2.222250716e+00 2.88 -2.844853116e+00 -2.599380991e+00 -2.177387139e+00 2.90 -2.807288246e+00 -2.553960217e+00 -2.133042619e+00 2.92 -2.769715602e+00 -2.508964582e+00 -2.089235935e+00 2.94 -2.732169432e+00 -2.464413327e+00 -2.045983794e+00 2.96 -2.694681656e+00 -2.420323927e+00 -2.003300959e+00 2.98 -2.657281993e+00 -2.376712201e+00 -1.961200376e+00 3.00 -2.619998079e+00 -2.333592420e+00 -1.919693289e+00 3.02 -2.582855589e+00 -2.290977397e+00 -1.878789351e+00 3.04 -2.545878339e+00 -2.248878574e+00 -1.838496730e+00 3.06 -2.509088392e+00 -2.207306099e+00 -1.798822205e+00 3.08 -2.472506156e+00 -2.166268903e+00 -1.759771257e+00 3.10 -2.436150476e+00 -2.125774759e+00 -1.721348162e+00 3.12 -2.400038722e+00 -2.085830348e+00 -1.683556071e+00 3.14 -2.364186873e+00 -2.046441318e+00 -1.646397086e+00 3.16 -2.328609594e+00 -2.007612336e+00 -1.609872340e+00 3.18 -2.293320316e+00 -1.969347145e+00 -1.573982061e+00 3.20 -2.258331301e+00 -1.931648606e+00 -1.538725643e+00 3.22 -2.223653713e+00 -1.894518757e+00 -1.504101701e+00 3.24 -2.189297682e+00 -1.857958848e+00 -1.470108140e+00 3.26 -2.155272363e+00 -1.821969394e+00 -1.436742199e+00 3.28 -2.121585992e+00 -1.786550214e+00 -1.404000513e+00 3.30 -2.088245946e+00 -1.751700476e+00 -1.371879155e+00 3.32 -2.055258788e+00 -1.717418736e+00 -1.340373687e+00 3.34 -2.022630320e+00 -1.683702975e+00 -1.309479199e+00 3.36 -1.990365626e+00 -1.650550643e+00 -1.279190354e+00 3.38 -1.958469120e+00 -1.617958695e+00 -1.249501424e+00 3.40 -1.926944584e+00 -1.585923623e+00 -1.220406328e+00 3.42 -1.895795207e+00 -1.554441494e+00 -1.191898664e+00 3.44 -1.865023624e+00 -1.523507987e+00 -1.163971742e+00 3.46 -1.834631952e+00 -1.493118419e+00 -1.136618613e+00 3.48 -1.804621819e+00 -1.463267780e+00 -1.109832099e+00 3.50 -1.774994401e+00 -1.433950765e+00 -1.083604818e+00 3.52 -1.745750448e+00 -1.405161797e+00 -1.057929209e+00 3.54 -1.716890312e+00 -1.376895061e+00 -1.032797553e+00 3.56 -1.688413975e+00 -1.349144523e+00 -1.008201998e+00 3.58 -1.660321076e+00 -1.321903963e+00 -9.841345781e-01 3.60 -1.632610931e+00 -1.295166991e+00 -9.605872299e-01 3.62 -1.605282558e+00 -1.268927071e+00 -9.375518131e-01 3.64 -1.578334696e+00 -1.243177548e+00 -9.150201255e-01 3.66 -1.551765829e+00 -1.217911656e+00 -8.929839186e-01 3.68 -1.525574200e+00 -1.193122548e+00 -8.714349114e-01 3.70 -1.499757833e+00 -1.168803304e+00 -8.503648039e-01 3.72 -1.474314548e+00 -1.144946953e+00 -8.297652893e-01 3.74 -1.449241977e+00 -1.121546484e+00 -8.096280654e-01 3.76 -1.424537579e+00 -1.098594861e+00 -7.899448446e-01 3.78 -1.400198655e+00 -1.076085036e+00 -7.707073646e-01 3.80 -1.376222359e+00 -1.054009958e+00 -7.519073962e-01 3.82 -1.352605714e+00 -1.032362589e+00 -7.335367525e-01 3.84 -1.329345622e+00 -1.011135908e+00 -7.155872959e-01 3.86 -1.306438873e+00 -9.903229203e-01 -6.980509454e-01 3.88 -1.283882161e+00 -9.699166704e-01 -6.809196827e-01 3.90 -1.261672089e+00 -9.499102440e-01 -6.641855582e-01 3.92 -1.239805179e+00 -9.302967765e-01 -6.478406964e-01 3.94 -1.218277882e+00 -9.110694590e-01 -6.318773004e-01 3.96 -1.197086586e+00 -8.922215429e-01 -6.162876564e-01 3.98 -1.176227624e+00 -8.737463446e-01 -6.010641377e-01 4.00 -1.155697279e+00 -8.556372500e-01 -5.861992082e-01 4.02 -1.135491793e+00 -8.378877172e-01 -5.716854255e-01 4.04 -1.115607374e+00 -8.204912803e-01 -5.575154435e-01 4.06 -1.096040198e+00 -8.034415518e-01 -5.436820151e-01 4.08 -1.076786419e+00 -7.867322245e-01 -5.301779944e-01 4.10 -1.057842172e+00 -7.703570741e-01 -5.169963383e-01 4.12 -1.039203577e+00 -7.543099600e-01 -5.041301080e-01 4.14 -1.020866746e+00 -7.385848273e-01 -4.915724707e-01 4.16 -1.002827784e+00 -7.231757071e-01 -4.793167004e-01 4.18 -9.850827973e-01 -7.080767178e-01 -4.673561790e-01 4.20 -9.676278927e-01 -6.932820651e-01 -4.556843964e-01 4.22 -9.504591834e-01 -6.787860428e-01 -4.442949517e-01 4.24 -9.335727915e-01 -6.645830327e-01 -4.331815531e-01 4.26 -9.169648508e-01 -6.506675045e-01 -4.223380179e-01 4.28 -9.006315100e-01 -6.370340159e-01 -4.117582727e-01 4.30 -8.845689346e-01 -6.236772119e-01 -4.014363531e-01 4.32 -8.687733097e-01 -6.105918248e-01 -3.913664037e-01 4.34 -8.532408417e-01 -5.977726735e-01 -3.815426771e-01 4.36 -8.379677608e-01 -5.852146627e-01 -3.719595339e-01 4.38 -8.229503223e-01 -5.729127826e-01 -3.626114417e-01 4.40 -8.081848085e-01 -5.608621079e-01 -3.534929746e-01 4.42 -7.918514066e-01 -5.478021179e-01 -3.437785951e-01 4.44 -7.508854776e-01 -5.178576823e-01 -3.231688992e-01 4.46 -6.252937256e-01 -4.300262155e-01 -2.656271236e-01 4.48 -3.396220340e-01 -2.331031074e-01 -1.410645351e-01 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 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