# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Kim-Y-M-Jung-I-H-Lee-B-J--Mg-Li # implementation = 2012--Kim-Y-M--Mg-Li--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 Li Li Li Mg Mg Mg 0.02 1.619477233e+01 -2.819189657e+01 2.888691025e+02 0.04 1.556783543e+01 -2.631295332e+01 2.768394410e+02 0.06 1.496501829e+01 -2.454570189e+01 2.652922638e+02 0.08 1.438495845e+01 -2.288396699e+01 2.542087331e+02 0.10 1.382641690e+01 -2.132191922e+01 2.435707309e+02 0.12 1.328826430e+01 -1.985405289e+01 2.333608312e+02 0.14 1.276946870e+01 -1.847516565e+01 2.235622752e+02 0.16 1.226908478e+01 -1.718033975e+01 2.141589451e+02 0.18 1.178624427e+01 -1.596492477e+01 2.051353410e+02 0.20 1.132014753e+01 -1.482452168e+01 1.964765571e+02 0.22 1.087005615e+01 -1.375496805e+01 1.881682595e+02 0.24 1.043528632e+01 -1.275232442e+01 1.801966648e+02 0.26 1.001520308e+01 -1.181286153e+01 1.725485192e+02 0.28 9.609215170e+00 -1.093304855e+01 1.652110786e+02 0.30 9.216770513e+00 -1.010954198e+01 1.581720895e+02 0.32 8.837352245e+00 -9.339175419e+00 1.514197703e+02 0.34 8.470475172e+00 -8.618949901e+00 1.449427936e+02 0.36 8.115682666e+00 -7.946024878e+00 1.387302689e+02 0.38 7.772543916e+00 -7.317709768e+00 1.327717263e+02 0.40 7.440651498e+00 -6.731455992e+00 1.270571005e+02 0.42 7.119619231e+00 -6.184849522e+00 1.215767152e+02 0.44 6.809080276e+00 -5.675603837e+00 1.163212689e+02 0.46 6.508685459e+00 -5.201553282e+00 1.112818202e+02 0.48 6.218101778e+00 -4.760646837e+00 1.064497744e+02 0.50 5.937011090e+00 -4.350942193e+00 1.018168700e+02 0.52 5.665108936e+00 -3.970600175e+00 9.737516680e+01 0.54 5.402103506e+00 -3.617879472e+00 9.311703270e+01 0.56 5.147714712e+00 -3.291131628e+00 8.903513267e+01 0.58 4.901673365e+00 -2.988796323e+00 8.512241718e+01 0.60 4.663720442e+00 -2.709396889e+00 8.137211134e+01 0.62 4.433606425e+00 -2.451536049e+00 7.777770445e+01 0.64 4.211090722e+00 -2.213891903e+00 7.433293991e+01 0.66 3.995941129e+00 -1.995214094e+00 7.103180550e+01 0.68 3.787933365e+00 -1.794320176e+00 6.786852407e+01 0.70 3.586850635e+00 -1.610092174e+00 6.483754453e+01 0.72 3.392483252e+00 -1.441473303e+00 6.193353320e+01 0.74 3.204628276e+00 -1.287464860e+00 5.915136547e+01 0.76 3.023089204e+00 -1.147123274e+00 5.648611785e+01 0.78 2.847675672e+00 -1.019557285e+00 5.393306014e+01 0.80 2.678203189e+00 -9.039252847e-01 5.148764814e+01 0.82 2.514492896e+00 -7.994327734e-01 4.914551641e+01 0.84 2.356371332e+00 -7.053299445e-01 4.690247144e+01 0.86 2.203670233e+00 -6.209093954e-01 4.475448505e+01 0.88 2.056226332e+00 -5.455039409e-01 4.269768798e+01 0.90 1.913881180e+00 -4.784845376e-01 4.072836382e+01 0.92 1.776480976e+00 -4.192583156e-01 3.884294308e+01 0.94 1.643876408e+00 -3.672666966e-01 3.703799754e+01 0.96 1.515922508e+00 -3.219836115e-01 3.531023480e+01 0.98 1.392478502e+00 -2.829138057e-01 3.365649301e+01 1.00 1.273407684e+00 -2.495912215e-01 3.207373587e+01 1.02 1.158577288e+00 -2.215774670e-01 3.055904771e+01 1.04 1.047858365e+00 -1.984603572e-01 2.910962888e+01 1.06 9.411256678e-01 -1.798525247e-01 2.772279122e+01 1.08 8.382575447e-01 -1.653901049e-01 2.639595375e+01 1.10 7.391358300e-01 -1.547314807e-01 2.512663850e+01 1.12 6.436457442e-01 -1.475560910e-01 2.391246652e+01 1.14 5.516757971e-01 -1.435633013e-01 2.275115406e+01 1.16 4.631176929e-01 -1.424713256e-01 2.164050881e+01 1.18 3.778662403e-01 -1.440162054e-01 2.057842639e+01 1.20 2.958192653e-01 -1.479508400e-01 1.956288692e+01 1.22 2.168775259e-01 -1.540440627e-01 1.859195168e+01 1.24 1.409446308e-01 -1.620797675e-01 1.766376004e+01 1.26 6.792696020e-02 -1.718560778e-01 1.677652630e+01 1.28 -2.266411439e-03 -1.831845578e-01 1.592853687e+01 1.30 -6.972378962e-02 -1.958894676e-01 1.511814735e+01 1.32 -1.345309323e-01 -2.098070560e-01 1.434377993e+01 1.34 -1.967711203e-01 -2.247848918e-01 1.360392068e+01 1.36 -2.565252254e-01 -2.406812365e-01 1.289711712e+01 1.38 -3.138717766e-01 -2.573644511e-01 1.222197578e+01 1.40 -3.688870253e-01 -2.747124436e-01 1.157715988e+01 1.42 -4.216450072e-01 -2.926121558e-01 1.096138711e+01 1.44 -4.722176040e-01 -3.109590880e-01 1.037342751e+01 1.46 -5.206746026e-01 -3.296568689e-01 9.812101350e+00 1.48 -5.670837529e-01 -3.486168679e-01 9.276277210e+00 1.50 -6.115108241e-01 -3.677578549e-01 8.764870036e+00 1.52 -6.540196595e-01 -3.870057118e-01 8.276839322e+00 1.54 -6.946722295e-01 -4.062931951e-01 7.811187345e+00 1.56 -7.335286842e-01 -4.255597564e-01 7.366957463e+00 1.58 -7.706474032e-01 -4.447514209e-01 6.943232492e+00 1.60 -8.060850451e-01 -4.638207249e-01 6.539133131e+00 1.62 -8.398965953e-01 -4.827267126e-01 6.153816453e+00 1.64 -8.721354126e-01 -5.014349911e-01 5.786474458e+00 1.66 -9.028532749e-01 -5.199178349e-01 5.436332667e+00 1.68 -9.321004227e-01 -5.381543354e-01 5.102648787e+00 1.70 -9.599256026e-01 -5.561305803e-01 4.784711410e+00 1.72 -9.863761092e-01 -5.738398471e-01 4.481838776e+00 1.74 -1.011497826e+00 -5.912827879e-01 4.193377569e+00 1.76 -1.035335263e+00 -6.084675779e-01 3.918701772e+00 1.78 -1.057931599e+00 -6.254099924e-01 3.657211552e+00 1.80 -1.079328717e+00 -6.421333733e-01 3.408332201e+00 1.82 -1.099567239e+00 -6.586684345e-01 3.171513104e+00 1.84 -1.118686567e+00 -6.750528552e-01 2.946226756e+00 1.86 -1.136724911e+00 -6.913306012e-01 2.731967813e+00 1.88 -1.153719327e+00 -7.075509114e-01 2.528252177e+00 1.90 -1.169705748e+00 -7.237668894e-01 2.334616120e+00 1.92 -1.184719018e+00 -7.400336454e-01 2.150615444e+00 1.94 -1.198792921e+00 -7.564059477e-01 1.975824663e+00 1.96 -1.211960212e+00 -7.729353716e-01 1.809836231e+00 1.98 -1.224252644e+00 -7.896669718e-01 1.652259793e+00 2.00 -1.235701001e+00 -8.066355633e-01 1.502721462e+00 2.02 -1.246335124e+00 -8.238617683e-01 1.360863140e+00 2.04 -1.256183935e+00 -8.413480734e-01 1.226341846e+00 2.06 -1.265275468e+00 -8.590752333e-01 1.098829092e+00 2.08 -1.273636890e+00 -8.769994335e-01 9.780102733e-01 2.10 -1.281294530e+00 -8.950506718e-01 8.635840853e-01 2.12 -1.288273900e+00 -9.131328046e-01 7.552619703e-01 2.14 -1.294599719e+00 -9.311256054e-01 6.527675851e-01 2.16 -1.300295937e+00 -9.488889963e-01 5.558362907e-01 2.18 -1.305385754e+00 -9.662693392e-01 4.642146682e-01 2.20 -1.309891643e+00 -9.831073536e-01 3.776600532e-01 2.22 -1.313835373e+00 -9.992469315e-01 2.959400910e-01 2.24 -1.317238024e+00 -1.014543910e+00 2.188323143e-01 2.26 -1.320120008e+00 -1.028873814e+00 1.461237367e-01 2.28 -1.322501089e+00 -1.042137722e+00 7.761046558e-02 2.30 -1.324400399e+00 -1.054265694e+00 1.309733315e-02 2.32 -1.325836456e+00 -1.065217610e+00 -4.760245909e-02 2.34 -1.326827182e+00 -1.074981622e+00 -1.046676779e-01 2.36 -1.327389915e+00 -1.083570771e+00 -1.582693830e-01 2.38 -1.327541430e+00 -1.091018420e+00 -2.085712384e-01 2.40 -1.327297950e+00 -1.097373214e+00 -2.557298101e-01 2.42 -1.326675162e+00 -1.102694163e+00 -2.998948530e-01 2.44 -1.325688232e+00 -1.107046239e+00 -3.412095869e-01 2.46 -1.324351821e+00 -1.110496765e+00 -3.798109610e-01 2.48 -1.322680092e+00 -1.113112635e+00 -4.158299098e-01 2.50 -1.320686733e+00 -1.114958355e+00 -4.493916001e-01 2.52 -1.318384963e+00 -1.116094777e+00 -4.806156680e-01 2.54 -1.315787549e+00 -1.116578403e+00 -5.096164495e-01 2.56 -1.312906822e+00 -1.116461097e+00 -5.365032020e-01 2.58 -1.309754682e+00 -1.115790100e+00 -5.613803190e-01 2.60 -1.306342624e+00 -1.114608230e+00 -5.843475374e-01 2.62 -1.302681740e+00 -1.112954198e+00 -6.055001373e-01 2.64 -1.298782739e+00 -1.110862971e+00 -6.249291357e-01 2.66 -1.294655962e+00 -1.108366155e+00 -6.427214729e-01 2.68 -1.290311391e+00 -1.105492365e+00 -6.589601916e-01 2.70 -1.285758666e+00 -1.102267577e+00 -6.737246107e-01 2.72 -1.281007099e+00 -1.098715443e+00 -6.870904911e-01 2.74 -1.276065688e+00 -1.094857571e+00 -6.991301956e-01 2.76 -1.270943128e+00 -1.090713777e+00 -7.099128419e-01 2.78 -1.265647828e+00 -1.086302302e+00 -7.195044491e-01 2.80 -1.260187922e+00 -1.081639999e+00 -7.279680782e-01 2.82 -1.254571282e+00 -1.076742497e+00 -7.353639656e-01 2.84 -1.248805533e+00 -1.071624337e+00 -7.417496505e-01 2.86 -1.242898060e+00 -1.066299101e+00 -7.471800966e-01 2.88 -1.236856025e+00 -1.060779505e+00 -7.517078073e-01 2.90 -1.230686372e+00 -1.055077496e+00 -7.553829353e-01 2.92 -1.224395842e+00 -1.049204326e+00 -7.582533867e-01 2.94 -1.217990981e+00 -1.043170617e+00 -7.603649197e-01 2.96 -1.211478146e+00 -1.036986421e+00 -7.617612378e-01 2.98 -1.204863515e+00 -1.030661268e+00 -7.624840789e-01 3.00 -1.198153097e+00 -1.024204207e+00 -7.625732989e-01 3.02 -1.191352731e+00 -1.017623851e+00 -7.620669514e-01 3.04 -1.184468098e+00 -1.010928402e+00 -7.610013632e-01 3.06 -1.177504724e+00 -1.004125685e+00 -7.594112056e-01 3.08 -1.170467984e+00 -9.972231708e-01 -7.573295631e-01 3.10 -1.163363102e+00 -9.902280017e-01 -7.547879972e-01 3.12 -1.156195162e+00 -9.831470090e-01 -7.518166083e-01 3.14 -1.148969102e+00 -9.759867326e-01 -7.484440943e-01 3.16 -1.141689721e+00 -9.687534364e-01 -7.446978065e-01 3.18 -1.134361679e+00 -9.614531236e-01 -7.406038028e-01 3.20 -1.126989497e+00 -9.540915493e-01 -7.361868994e-01 3.22 -1.119577560e+00 -9.466742329e-01 -7.314707189e-01 3.24 -1.112130116e+00 -9.392064690e-01 -7.264777381e-01 3.26 -1.104651278e+00 -9.316933375e-01 -7.212293329e-01 3.28 -1.097145021e+00 -9.241397128e-01 -7.157458216e-01 3.30 -1.089615189e+00 -9.165502725e-01 -7.100465074e-01 3.32 -1.082065487e+00 -9.089295053e-01 -7.041497179e-01 3.34 -1.074499488e+00 -9.012817188e-01 -6.980728449e-01 3.36 -1.066920631e+00 -8.936110461e-01 -6.918323818e-01 3.38 -1.059332220e+00 -8.859214523e-01 -6.854439601e-01 3.40 -1.051737431e+00 -8.782167413e-01 -6.789223844e-01 3.42 -1.044139303e+00 -8.705005610e-01 -6.722816670e-01 3.44 -1.036540750e+00 -8.627764095e-01 -6.655350607e-01 3.46 -1.028944554e+00 -8.550476397e-01 -6.586950905e-01 3.48 -1.021353372e+00 -8.473174652e-01 -6.517735853e-01 3.50 -1.013769736e+00 -8.395889642e-01 -6.447817070e-01 3.52 -1.006196054e+00 -8.318650850e-01 -6.377299805e-01 3.54 -9.986346147e-01 -8.241486500e-01 -6.306283208e-01 3.56 -9.910875872e-01 -8.164423600e-01 -6.234860610e-01 3.58 -9.835570265e-01 -8.087487984e-01 -6.163119781e-01 3.60 -9.760448749e-01 -8.010704353e-01 -6.091143188e-01 3.62 -9.685529652e-01 -7.934096311e-01 -6.019008235e-01 3.64 -9.610830244e-01 -7.857686403e-01 -5.946787505e-01 3.66 -9.536366763e-01 -7.781496150e-01 -5.874548987e-01 3.68 -9.462154456e-01 -7.705546087e-01 -5.802356295e-01 3.70 -9.388207611e-01 -7.629855791e-01 -5.730268882e-01 3.72 -9.314539593e-01 -7.554443919e-01 -5.658342243e-01 3.74 -9.241162881e-01 -7.479328235e-01 -5.586628114e-01 3.76 -9.168089104e-01 -7.404525642e-01 -5.515174658e-01 3.78 -9.095329080e-01 -7.330052213e-01 -5.444026649e-01 3.80 -9.022892849e-01 -7.255923218e-01 -5.373225645e-01 3.82 -8.950789712e-01 -7.182153150e-01 -5.302810154e-01 3.84 -8.879028265e-01 -7.108755756e-01 -5.232815799e-01 3.86 -8.807616437e-01 -7.035744058e-01 -5.163275464e-01 3.88 -8.736561523e-01 -6.963130382e-01 -5.094219447e-01 3.90 -8.665870219e-01 -6.890926382e-01 -5.025675596e-01 3.92 -8.595548657e-01 -6.819143060e-01 -4.957669445e-01 3.94 -8.525602430e-01 -6.747790792e-01 -4.890224342e-01 3.96 -8.456036635e-01 -6.676879352e-01 -4.823361570e-01 3.98 -8.386855892e-01 -6.606417927e-01 -4.757100464e-01 4.00 -8.318064382e-01 -6.536415143e-01 -4.691458520e-01 4.02 -8.249665867e-01 -6.466879084e-01 -4.626451504e-01 4.04 -8.181663725e-01 -6.397817310e-01 -4.562093547e-01 4.06 -8.114060969e-01 -6.329236876e-01 -4.498397247e-01 4.08 -8.046860276e-01 -6.261144352e-01 -4.435373752e-01 4.10 -7.980064005e-01 -6.193545839e-01 -4.373032853e-01 4.12 -7.913674226e-01 -6.126446984e-01 -4.311383061e-01 4.14 -7.847692735e-01 -6.059853000e-01 -4.250431687e-01 4.16 -7.782121076e-01 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