# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = F # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 2.588777391e+02 nan 0.86 nan nan nan nan nan nan nan nan 2.385170161e+02 nan 0.88 nan nan nan nan nan nan nan nan 2.200349138e+02 nan 0.90 nan nan nan nan nan nan nan nan 2.032166292e+02 nan 0.92 nan nan nan nan nan 1.610903112e+02 nan nan 1.878874451e+02 nan 0.94 nan nan nan nan nan 1.490779350e+02 nan nan 1.738927030e+02 nan 0.96 nan nan nan nan nan 1.380914509e+02 nan nan 1.610952930e+02 nan 0.98 nan nan nan nan nan 1.280310970e+02 nan nan 1.493766975e+02 nan 1.00 nan nan nan nan nan 1.188100085e+02 nan nan 1.386358143e+02 nan 1.02 nan nan nan nan nan 1.103462162e+02 nan nan 1.287789837e+02 nan 1.04 nan nan nan 2.557415297e+02 2.557436620e+02 1.025654063e+02 nan nan 1.197221986e+02 1.703455599e+02 1.06 nan 1.578526944e+02 nan 2.391945211e+02 2.391988666e+02 9.541582092e+01 1.611576430e+02 nan 1.113871105e+02 1.588874423e+02 1.08 nan 1.472819148e+02 nan 2.238971234e+02 2.239032135e+02 8.883980256e+01 1.504191496e+02 nan 1.037060709e+02 1.483143025e+02 1.10 nan 1.375117709e+02 nan 2.097316518e+02 2.097360389e+02 8.278701514e+01 1.404901856e+02 nan 9.661731708e+01 1.385484642e+02 1.12 nan 1.284714541e+02 nan 1.966057224e+02 1.966080487e+02 7.720716436e+01 1.313034020e+02 nan 9.006520265e+01 1.295127743e+02 1.14 nan 1.200968751e+02 nan 1.844285147e+02 1.844293789e+02 7.205778619e+01 1.227929809e+02 nan 8.399902605e+01 1.211458777e+02 1.16 nan 1.123294390e+02 nan 1.731171638e+02 1.731156155e+02 6.729412678e+01 1.149049761e+02 nan 7.837733220e+01 1.133941799e+02 1.18 1.626042633e+02 1.051197685e+02 1.463931712e+02 1.625969806e+02 1.625938673e+02 6.288054135e+01 1.075865624e+02 1.512232188e+02 7.316194324e+01 1.061980913e+02 1.20 1.528140937e+02 9.842125331e+01 1.374672727e+02 1.528056580e+02 1.528024692e+02 5.878558523e+01 1.007931176e+02 1.420320484e+02 6.832055486e+01 9.950519647e+01 1.22 1.436843308e+02 9.218895866e+01 1.291455032e+02 1.436822205e+02 1.436804342e+02 5.497621091e+01 9.447575276e+01 1.334667275e+02 6.382324303e+01 9.327760792e+01 1.24 1.351706067e+02 8.638898018e+01 1.213841591e+02 1.351741780e+02 1.351749934e+02 5.142781184e+01 8.859429487e+01 1.254809894e+02 5.964545514e+01 8.747639315e+01 1.26 1.272215500e+02 8.098454035e+01 1.141406455e+02 1.272285792e+02 1.272321907e+02 4.812179475e+01 8.311283926e+01 1.180277296e+02 5.576312565e+01 8.206789989e+01 1.28 1.197935086e+02 7.594913330e+01 1.073698952e+02 1.198037020e+02 1.198108030e+02 4.503992860e+01 7.800038808e+01 1.110662021e+02 5.215416920e+01 7.702159061e+01 1.30 1.128487726e+02 7.125255279e+01 1.010433989e+02 1.128611822e+02 1.128703463e+02 4.216632038e+01 7.322693317e+01 1.045602459e+02 4.879919616e+01 7.230762507e+01 1.32 1.063520365e+02 6.686533424e+01 9.513000179e+01 1.063649576e+02 1.063745184e+02 3.948714239e+01 6.876440852e+01 9.847863023e+01 4.567875997e+01 6.790264270e+01 1.34 1.002713707e+02 6.276834014e+01 8.960052075e+01 1.002821996e+02 1.002908461e+02 3.699030999e+01 6.458921359e+01 9.278913511e+01 4.277348460e+01 6.378567857e+01 1.36 9.457693864e+01 5.893776362e+01 8.442510626e+01 9.458361174e+01 9.459032606e+01 3.466253395e+01 6.068078006e+01 8.746304974e+01 4.006780844e+01 5.993713123e+01 1.38 8.924132150e+01 5.535296186e+01 7.957628857e+01 8.924168382e+01 8.924508678e+01 3.249134405e+01 5.701955093e+01 8.247174328e+01 3.754422513e+01 5.633964990e+01 1.40 8.423211359e+01 5.199758798e+01 7.503391155e+01 8.422874109e+01 8.422835129e+01 3.046640711e+01 5.359088280e+01 7.778971357e+01 3.518980781e+01 5.297340772e+01 1.42 7.953245038e+01 4.885599835e+01 7.077495926e+01 7.952363672e+01 7.951882662e+01 2.857772243e+01 5.037968946e+01 7.339608678e+01 3.299118607e+01 4.982370129e+01 1.44 7.511650024e+01 4.591164425e+01 6.677950425e+01 7.510315420e+01 7.509460190e+01 2.681727812e+01 4.737051283e+01 6.926803516e+01 3.093595443e+01 4.687309625e+01 1.46 7.096465590e+01 4.314769254e+01 6.302337001e+01 7.094882440e+01 7.093796152e+01 2.517406481e+01 4.455026658e+01 6.538615657e+01 2.901114948e+01 4.411008288e+01 1.48 6.705421163e+01 4.055344616e+01 5.948723291e+01 6.704049156e+01 6.702949694e+01 2.363728560e+01 4.190660394e+01 6.173282838e+01 2.720752615e+01 4.151818830e+01 1.50 6.337275497e+01 3.811892687e+01 5.615933550e+01 6.336249532e+01 6.335302138e+01 2.220117604e+01 3.942669306e+01 5.829258684e+01 2.551562944e+01 3.909016607e+01 1.52 5.990284439e+01 3.583242485e+01 5.302288021e+01 5.989811392e+01 5.989164378e+01 2.085723061e+01 3.710111187e+01 5.505190675e+01 2.392550451e+01 3.681322278e+01 1.54 5.663139935e+01 3.368291458e+01 5.006493986e+01 5.663201688e+01 5.662895567e+01 1.959948872e+01 3.491969091e+01 5.199779074e+01 2.243070621e+01 3.467684646e+01 1.56 5.354352278e+01 3.166188802e+01 4.727365205e+01 5.355074396e+01 5.355260677e+01 1.842188432e+01 3.287416436e+01 4.911632073e+01 2.102590912e+01 3.267070823e+01 1.58 5.062845669e+01 2.976377987e+01 4.463744812e+01 5.064199353e+01 5.064907692e+01 1.731894083e+01 3.095466923e+01 4.639925594e+01 1.970461935e+01 3.078514738e+01 1.60 4.787847020e+01 2.798052870e+01 4.214696211e+01 4.789575934e+01 4.790752972e+01 1.628498987e+01 2.915256662e+01 4.383699854e+01 1.846155326e+01 2.901115735e+01 1.62 4.528329781e+01 2.630481211e+01 3.979667177e+01 4.530264619e+01 4.531825612e+01 1.531621906e+01 2.745863144e+01 4.141978815e+01 1.729170727e+01 2.733724485e+01 1.64 4.283357235e+01 2.472931894e+01 3.757971390e+01 4.285243415e+01 4.287054129e+01 1.440870328e+01 2.586494692e+01 3.913937959e+01 1.619123282e+01 2.575908562e+01 1.66 4.052065123e+01 2.324626964e+01 3.548730342e+01 4.053735907e+01 4.055631715e+01 1.355670417e+01 2.436522837e+01 3.698821286e+01 1.515721815e+01 2.427054070e+01 1.68 3.833214521e+01 2.185177108e+01 3.351440532e+01 3.834797613e+01 3.836639606e+01 1.275798159e+01 2.295189193e+01 3.495668880e+01 1.418582710e+01 2.286322215e+01 1.70 3.626505304e+01 2.054115861e+01 3.165497996e+01 3.627888048e+01 3.629507877e+01 1.200916247e+01 2.161823708e+01 3.304072664e+01 1.327318995e+01 2.153255983e+01 1.72 3.431404312e+01 1.930878020e+01 2.990252200e+01 3.432358265e+01 3.433597462e+01 1.130636286e+01 2.035914469e+01 3.123353572e+01 1.241690485e+01 2.027386139e+01 1.74 3.247114843e+01 1.814895699e+01 2.825000789e+01 3.247544813e+01 3.248302693e+01 1.064595408e+01 1.916853676e+01 2.952748663e+01 1.161447768e+01 1.908216035e+01 1.76 3.072914995e+01 1.705642686e+01 2.669065093e+01 3.072869692e+01 3.073103242e+01 1.002447528e+01 1.804039093e+01 2.791757753e+01 1.086285870e+01 1.795327985e+01 1.78 2.908357602e+01 1.602658463e+01 2.521748128e+01 2.907708371e+01 2.907337402e+01 9.437119936e+00 1.697221592e+01 2.639668044e+01 1.015858567e+01 1.688442400e+01 1.80 2.752832762e+01 1.505433743e+01 2.382973560e+01 2.751647542e+01 2.750709889e+01 8.883617544e+00 1.596058124e+01 2.495949678e+01 9.499766263e+00 1.587263625e+01 1.82 2.605684454e+01 1.413620281e+01 2.252136848e+01 2.604118037e+01 2.602702836e+01 8.361171428e+00 1.500188203e+01 2.360076221e+01 8.884033259e+00 1.491451450e+01 1.84 2.466401603e+01 1.326928491e+01 2.128680037e+01 2.464615197e+01 2.462841438e+01 7.867335607e+00 1.409306981e+01 2.231566231e+01 8.308519689e+00 1.400807562e+01 1.86 2.334610645e+01 1.245023588e+01 2.011997175e+01 2.332698896e+01 2.330692554e+01 7.399094569e+00 1.323155825e+01 2.109960783e+01 7.770070830e+00 1.315262192e+01 1.88 2.209816834e+01 1.167575609e+01 1.901736835e+01 2.207843761e+01 2.205746048e+01 6.955901892e+00 1.241474472e+01 1.994777364e+01 7.265996156e+00 1.234608729e+01 1.90 2.091559608e+01 1.094295228e+01 1.797441360e+01 2.089621514e+01 2.087577578e+01 6.536072549e+00 1.164072481e+01 1.885549967e+01 6.794274381e+00 1.158652221e+01 1.92 1.979233225e+01 1.024929796e+01 1.698685740e+01 1.977552655e+01 1.975701160e+01 6.138158827e+00 1.090827159e+01 1.781833069e+01 6.352565118e+00 1.087023666e+01 1.94 1.872688453e+01 9.592590351e+00 1.605075060e+01 1.871306444e+01 1.869733476e+01 5.760901409e+00 1.021595401e+01 1.683426642e+01 5.938793378e+00 1.019776491e+01 1.96 1.771545567e+01 8.970140658e+00 1.516243059e+01 1.770488551e+01 1.769256376e+01 5.403184771e+00 9.561037291e+00 1.589941463e+01 5.550920160e+00 9.566959964e+00 1.98 1.675461222e+01 8.380620996e+00 1.431851679e+01 1.674807030e+01 1.674017790e+01 5.063999726e+00 8.943349631e+00 1.501139720e+01 5.186881518e+00 8.975646811e+00 2.00 1.584128833e+01 7.823028128e+00 1.351591282e+01 1.583926792e+01 1.583642966e+01 4.742414246e+00 8.361745054e+00 1.416734496e+01 4.844790830e+00 8.421632068e+00 2.02 1.497048334e+01 7.295815832e+00 1.274978980e+01 1.497433245e+01 1.497717253e+01 4.436541826e+00 7.814273363e+00 1.336395025e+01 4.522711787e+00 7.900807026e+00 2.04 1.414254574e+01 6.798132059e+00 1.202009611e+01 1.415195404e+01 1.416028552e+01 4.146781193e+00 7.299534606e+00 1.260073395e+01 4.219156581e+00 7.413255916e+00 2.06 1.335551876e+01 6.328683280e+00 1.132478962e+01 1.336982014e+01 1.338311499e+01 3.872425700e+00 6.816415341e+00 1.187570058e+01 3.932975070e+00 6.956927964e+00 2.08 1.260725056e+01 5.886144901e+00 1.066174633e+01 1.262565857e+01 1.264316804e+01 3.612618918e+00 6.363111426e+00 1.118698643e+01 3.662691806e+00 6.529454108e+00 2.10 1.189582674e+01 5.469232771e+00 1.002917092e+01 1.191665674e+01 1.193745890e+01 3.366568095e+00 5.938548838e+00 1.053288933e+01 3.407025210e+00 6.128568105e+00 2.12 1.121951482e+01 5.076683245e+00 9.425564101e+00 1.124199459e+01 1.126504810e+01 3.133541337e+00 5.540778534e+00 9.911824906e+00 3.165254890e+00 5.752118645e+00 2.14 1.057638178e+01 4.706576104e+00 8.848349831e+00 1.059984427e+01 1.062421178e+01 2.911530863e+00 5.168798511e+00 9.322069937e+00 2.936368920e+00 5.397413345e+00 2.16 9.965290089e+00 4.358405892e+00 8.297978267e+00 9.988804183e+00 1.001335749e+01 2.701395379e+00 4.821390118e+00 8.762428629e+00 2.719463607e+00 5.063300501e+00 2.18 9.384872040e+00 4.031096867e+00 7.773900557e+00 9.407452235e+00 9.431071964e+00 2.502875321e+00 4.496921694e+00 8.231553545e+00 2.513733126e+00 4.748185030e+00 2.20 8.833695955e+00 3.723119694e+00 7.275272072e+00 8.854414489e+00 8.876090794e+00 2.315335189e+00 4.193803646e+00 7.727221849e+00 2.318460504e+00 4.450405493e+00 2.22 8.310370708e+00 3.433086086e+00 6.801374662e+00 8.328379895e+00 8.347247578e+00 2.138221697e+00 3.910258385e+00 7.248976116e+00 2.132963386e+00 4.168466502e+00 2.24 7.813540623e+00 3.160003715e+00 6.351573234e+00 7.827793573e+00 7.843158864e+00 1.971051644e+00 3.645047263e+00 6.795268636e+00 1.956388302e+00 3.901033574e+00 2.26 7.341886445e+00 2.902830091e+00 5.925277829e+00 7.352001234e+00 7.363359371e+00 1.813399827e+00 3.396743871e+00 6.364843889e+00 1.788347959e+00 3.646925795e+00 2.28 6.892608422e+00 2.661340446e+00 5.521911970e+00 6.898924425e+00 6.906158014e+00 1.664887395e+00 3.163927430e+00 5.956161908e+00 1.628412647e+00 3.405106737e+00 2.30 6.464878325e+00 2.434507752e+00 5.140887531e+00 6.467748594e+00 6.470886189e+00 1.525170946e+00 2.945246165e+00 5.569225638e+00 1.476716820e+00 3.174674086e+00 2.32 6.059529416e+00 2.221422916e+00 4.781585991e+00 6.058720624e+00 6.057726637e+00 1.393932614e+00 2.739425443e+00 5.202841398e+00 1.332843985e+00 2.954848363e+00 2.34 5.675213201e+00 2.021283896e+00 4.442307199e+00 5.670479644e+00 5.665258665e+00 1.270871305e+00 2.545198336e+00 4.855858350e+00 1.196088710e+00 2.744961066e+00 2.36 5.310707392e+00 1.833382635e+00 4.123208068e+00 5.302229708e+00 5.293073700e+00 1.155695200e+00 2.361391595e+00 4.527230661e+00 1.066569150e+00 2.544442552e+00 2.38 4.964908332e+00 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