# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Du-Y-A-Lenosky-T-J-Hennig-R-G-et-al--Si # implementation = 2011--Du-Y-A--Si--LAMMPS--ipr1 # composition = Si # 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 5.995698177e+03 nan nan nan nan 0.82 nan nan nan nan nan 5.178581657e+03 nan nan nan nan 0.84 nan nan nan nan nan 4.477705960e+03 nan nan 5.898156240e+03 nan 0.86 nan nan nan nan nan 3.875994919e+03 nan nan 5.071993804e+03 nan 0.88 nan nan nan nan nan 3.352482899e+03 nan nan 4.383038652e+03 nan 0.90 nan nan nan nan nan 2.898387336e+03 nan nan 3.805200392e+03 nan 0.92 nan nan nan nan nan 2.507295439e+03 nan nan 3.317288416e+03 nan 0.94 nan 5.373416642e+03 nan nan nan 2.172965445e+03 5.517494795e+03 nan 2.905260616e+03 5.311533402e+03 0.96 nan 4.709682496e+03 nan nan nan 1.887169202e+03 4.813304079e+03 nan 2.553824584e+03 4.651021178e+03 0.98 nan 4.134451706e+03 nan nan nan 1.640372219e+03 4.211401934e+03 nan 2.252332136e+03 4.087583112e+03 1.00 nan 3.632898993e+03 nan nan nan 1.426370585e+03 3.698176226e+03 nan 1.991436660e+03 3.602197758e+03 1.02 nan 3.199949392e+03 5.596053563e+03 nan nan 1.243336471e+03 3.261383330e+03 nan 1.763360783e+03 3.186000312e+03 1.04 5.897119883e+03 2.826894998e+03 4.964112342e+03 5.894675087e+03 5.894585143e+03 1.086953746e+03 2.884040275e+03 5.211472610e+03 1.562854700e+03 2.828459603e+03 1.06 5.228060335e+03 2.502329282e+03 4.396445416e+03 5.231499377e+03 5.233077745e+03 9.511028053e+02 2.557333494e+03 4.615216393e+03 1.383732821e+03 2.521432265e+03 1.08 4.639302417e+03 2.216398317e+03 3.891842302e+03 4.647486346e+03 4.650262429e+03 8.344713688e+02 2.276455325e+03 4.090709327e+03 1.224373868e+03 2.253623173e+03 1.10 4.122582440e+03 1.966060206e+03 3.444589940e+03 4.134153032e+03 4.138288177e+03 7.337577746e+02 2.035536298e+03 3.632884935e+03 1.082313319e+03 2.018800634e+03 1.12 3.671145208e+03 1.748886086e+03 3.050995784e+03 3.682386781e+03 3.688453205e+03 6.469635767e+02 1.826837646e+03 3.234297010e+03 9.548817137e+02 1.811907093e+03 1.14 3.274127072e+03 1.562173604e+03 2.708010369e+03 3.283937836e+03 3.291531992e+03 5.726828603e+02 1.645104154e+03 2.885652369e+03 8.409201574e+02 1.625273215e+03 1.16 2.928461203e+03 1.399490842e+03 2.412558237e+03 2.932952301e+03 2.939023543e+03 5.096796702e+02 1.483705151e+03 2.580685661e+03 7.399516484e+02 1.457266181e+03 1.18 2.627229051e+03 1.255855897e+03 2.159413799e+03 2.624992764e+03 2.627835982e+03 4.563208437e+02 1.339466110e+03 2.312923784e+03 6.512537572e+02 1.305877365e+03 1.20 2.358354373e+03 1.128312176e+03 1.938893133e+03 2.352875272e+03 2.352772245e+03 4.101912568e+02 1.209347349e+03 2.075339065e+03 5.733921837e+02 1.166334257e+03 1.22 2.119438349e+03 1.015569393e+03 1.747765772e+03 2.113866725e+03 2.111201106e+03 3.706275684e+02 1.090881444e+03 1.865812108e+03 5.053886394e+02 1.039108480e+03 1.24 1.908411305e+03 9.164505848e+02 1.582529153e+03 1.903060058e+03 1.898237044e+03 3.368862226e+02 9.817499808e+02 1.681968089e+03 4.460389769e+02 9.246730957e+02 1.26 1.722154614e+03 8.286485991e+02 1.436736163e+03 1.717140495e+03 1.711017878e+03 3.067611652e+02 8.802630342e+02 1.520956949e+03 3.947301785e+02 8.217212267e+02 1.28 1.557945495e+03 7.506533042e+02 1.306314240e+03 1.553669448e+03 1.547284130e+03 2.790721969e+02 7.866694521e+02 1.380389576e+03 3.507902135e+02 7.290162877e+02 1.30 1.413967420e+03 6.808890566e+02 1.189810684e+03 1.410562466e+03 1.404670531e+03 2.537810634e+02 7.010650122e+02 1.256467286e+03 3.134851073e+02 6.461304745e+02 1.32 1.288744401e+03 6.171514218e+02 1.085863523e+03 1.285206757e+03 1.280138443e+03 2.307214684e+02 6.232611914e+02 1.145948174e+03 2.815991552e+02 5.726697107e+02 1.34 1.177899282e+03 5.582011460e+02 9.931197177e+02 1.174035477e+03 1.170141150e+03 2.096714017e+02 5.532889240e+02 1.045067661e+03 2.537005971e+02 5.081918831e+02 1.36 1.075894967e+03 5.038431093e+02 9.104689190e+02 1.073123318e+03 1.071049640e+03 1.904511628e+02 4.909879643e+02 9.526430573e+02 2.292341449e+02 4.522293605e+02 1.38 9.824614806e+02 4.538148585e+02 8.350326447e+02 9.813216606e+02 9.809336665e+02 1.729562048e+02 4.359103734e+02 8.682448260e+02 2.075911770e+02 4.040880296e+02 1.40 8.969731226e+02 4.079201708e+02 7.653087251e+02 8.975984755e+02 8.985507296e+02 1.570082850e+02 3.872955604e+02 7.912708280e+02 1.884596215e+02 3.628517489e+02 1.42 8.188106848e+02 3.659868618e+02 6.991116014e+02 8.207664671e+02 8.228023491e+02 1.420137894e+02 3.443344321e+02 7.206694653e+02 1.716241836e+02 3.276874521e+02 1.44 7.472699012e+02 3.278691176e+02 6.363385671e+02 7.501589510e+02 7.530977367e+02 1.278825304e+02 3.067034995e+02 6.555993325e+02 1.568203273e+02 2.975926662e+02 1.46 6.812049562e+02 2.934472348e+02 5.772839523e+02 6.848960947e+02 6.886211202e+02 1.146288256e+02 2.739976727e+02 5.958359732e+02 1.435973500e+02 2.707098054e+02 1.48 6.202469068e+02 2.625790836e+02 5.221703869e+02 6.246026549e+02 6.289752578e+02 1.022573029e+02 2.457021112e+02 5.412449654e+02 1.315521207e+02 2.466511446e+02 1.50 5.642901982e+02 2.350884152e+02 4.711435789e+02 5.687672505e+02 5.732476427e+02 9.075886337e+01 2.213116220e+02 4.914809578e+02 1.205350725e+02 2.252770651e+02 1.52 5.133058723e+02 2.105685914e+02 4.242833116e+02 5.173772335e+02 5.214426033e+02 8.011723864e+01 2.003800435e+02 4.459348159e+02 1.103164321e+02 2.064129175e+02 1.54 4.671489306e+02 1.886919332e+02 3.812720438e+02 4.703996980e+02 4.736392815e+02 7.017647396e+01 1.823676999e+02 4.044662769e+02 1.007646449e+02 1.898693381e+02 1.56 4.255547524e+02 1.688704660e+02 3.419282245e+02 4.276945922e+02 4.298203374e+02 6.089206905e+01 1.667096629e+02 3.668932859e+02 9.185136289e+01 1.754383920e+02 1.58 3.877891007e+02 1.509267573e+02 3.062118293e+02 3.887534538e+02 3.897031641e+02 5.229568539e+01 1.531704238e+02 3.325348074e+02 8.352903297e+01 1.626173673e+02 1.60 3.525575830e+02 1.346329314e+02 2.740714191e+02 3.526248943e+02 3.526806436e+02 4.442943491e+01 1.414962298e+02 3.008006224e+02 7.570676307e+01 1.505225285e+02 1.62 3.198320382e+02 1.199605866e+02 2.452669734e+02 3.192514109e+02 3.186655298e+02 3.728259605e+01 1.312084422e+02 2.716573946e+02 6.826060879e+01 1.391100384e+02 1.64 2.896100282e+02 1.068577501e+02 2.195306315e+02 2.885834902e+02 2.875587051e+02 3.082967006e+01 1.218922772e+02 2.450648215e+02 6.119815100e+01 1.283669177e+02 1.66 2.618628164e+02 9.521621656e+01 1.966092321e+02 2.605509487e+02 2.592454912e+02 2.504164462e+01 1.134082001e+02 2.209679484e+02 5.452921177e+01 1.182760577e+02 1.68 2.365499766e+02 8.492755456e+01 1.762750041e+02 2.350749927e+02 2.336085450e+02 1.989194320e+01 1.056170870e+02 1.992999989e+02 4.826262693e+01 1.088204047e+02 1.70 2.136158579e+02 7.589095042e+01 1.583177250e+02 2.120664696e+02 2.105259192e+02 1.535223973e+01 9.816949731e+01 1.799637917e+02 4.241291154e+01 9.998143143e+01 1.72 1.929905841e+02 6.801851071e+01 1.425410896e+02 1.914278103e+02 1.898728447e+02 1.138893600e+01 9.099372633e+01 1.626303200e+02 3.698248829e+01 9.173839776e+01 1.74 1.745987227e+02 6.119697352e+01 1.287578955e+02 1.730586683e+02 1.715244941e+02 7.960536108e+00 8.408706315e+01 1.470846050e+02 3.196621867e+01 8.407245805e+01 1.76 1.582997044e+02 5.530241423e+01 1.167630665e+02 1.568122576e+02 1.553280181e+02 5.023321736e+00 7.745115860e+01 1.331783533e+02 2.735887131e+01 7.694528790e+01 1.78 1.435983883e+02 5.013445700e+01 1.062198024e+02 1.422668760e+02 1.409359431e+02 2.534229902e+00 7.110611113e+01 1.206547954e+02 2.315280059e+01 7.019586018e+01 1.80 1.302882164e+02 4.560314039e+01 9.699665980e+01 1.292153548e+02 1.281410110e+02 4.495473114e-01 6.507125881e+01 1.093689225e+02 1.933693701e+01 6.377198644e+01 1.82 1.182367813e+02 4.164400191e+01 8.902813237e+01 1.175113518e+02 1.167836085e+02 -1.205537426e+00 5.935789117e+01 9.920773486e+01 1.589017833e+01 5.765180118e+01 1.84 1.073390566e+02 3.819923133e+01 8.211361596e+01 1.070060884e+02 1.066708725e+02 -2.058774013e+00 5.391577191e+01 9.008072312e+01 1.276734184e+01 5.183843980e+01 1.86 9.750656083e+01 3.522296335e+01 7.575149736e+01 9.748419746e+01 9.746012688e+01 -2.447523536e+00 4.873934027e+01 8.190682407e+01 9.957161668e+00 4.634066267e+01 1.88 8.865774575e+01 3.267181917e+01 6.988136954e+01 8.886428158e+01 8.906992607e+01 -2.621943975e+00 4.383691789e+01 7.461174365e+01 7.438770625e+00 4.116550056e+01 1.90 8.071668825e+01 3.034980279e+01 6.446728875e+01 8.108088245e+01 8.144506893e+01 -2.718191366e+00 3.920866087e+01 6.812638052e+01 5.189110645e+00 3.631712692e+01 1.92 7.361308334e+01 2.820460996e+01 5.947436045e+01 7.407295854e+01 7.453359578e+01 -2.804026105e+00 3.485291944e+01 6.238629797e+01 3.186576868e+00 3.179718622e+01 1.94 6.728222815e+01 2.621971423e+01 5.486985203e+01 6.778392596e+01 6.828702487e+01 -2.908793790e+00 3.076479272e+01 5.733274088e+01 1.409855049e+00 2.760512288e+01 1.96 6.166497329e+01 2.434220121e+01 5.062621775e+01 6.216230805e+01 6.266129854e+01 -3.040320964e+00 2.694024890e+01 5.284614467e+01 -1.660278121e-01 2.373865806e+01 1.98 5.670698190e+01 2.251391532e+01 4.671820999e+01 5.716068269e+01 5.761572510e+01 -3.195476550e+00 2.338074811e+01 4.880345740e+01 -1.574118828e+00 2.019377781e+01 2.00 5.235873898e+01 2.072997861e+01 4.312217075e+01 5.273503197e+01 5.311203970e+01 -3.366515374e+00 2.007969466e+01 4.517789464e+01 -2.562138077e+00 1.696142619e+01 2.02 4.857470515e+01 1.898765074e+01 3.981623068e+01 4.884435634e+01 4.911419024e+01 -3.544378385e+00 1.702891309e+01 4.182143426e+01 -3.105922059e+00 1.402864868e+01 2.04 4.512467330e+01 1.727405578e+01 3.678011240e+01 4.528606495e+01 4.544724452e+01 -3.720520472e+00 1.421916794e+01 3.862146274e+01 -3.389310311e+00 1.134007123e+01 2.06 4.178270427e+01 1.557664097e+01 3.399305533e+01 4.186110191e+01 4.193908411e+01 -3.889031128e+00 1.164247157e+01 3.557776479e+01 -3.530619878e+00 8.843735983e+00 2.08 3.856769362e+01 1.389800426e+01 3.144112210e+01 3.858590329e+01 3.860373919e+01 -4.043279259e+00 9.297799352e+00 3.269202568e+01 -3.600712424e+00 6.544805037e+00 2.10 3.552467768e+01 1.224473830e+01 2.912972425e+01 3.550321349e+01 3.548156923e+01 -4.170308136e+00 7.184902978e+00 2.997460913e+01 -3.636425790e+00 4.459120290e+00 2.12 3.265711280e+01 1.062190239e+01 2.703901270e+01 3.261442049e+01 3.257168126e+01 -4.267295086e+00 5.286410516e+00 2.742296907e+01 -3.659536290e+00 2.582017961e+00 2.14 2.996596201e+01 9.034500246e+00 2.514824528e+01 2.991833372e+01 2.987070543e+01 -4.334044438e+00 3.583388716e+00 2.503508447e+01 -3.679830963e+00 9.086392905e-01 2.16 2.744952256e+01 7.487264454e+00 2.338673936e+01 2.740670124e+01 2.736387992e+01 -4.380394200e+00 2.037157952e+00 2.280722180e+01 -3.701616820e+00 -5.690090060e-01 2.18 2.509795464e+01 5.984172632e+00 2.165027588e+01 2.506042042e+01 2.502288620e+01 -4.423394329e+00 6.287118794e-01 2.073008597e+01 -3.730552882e+00 -1.868468956e+00 2.20 2.290087918e+01 4.529392167e+00 1.993370960e+01 2.286846124e+01 2.283604331e+01 -4.463156597e+00 -6.495152336e-01 1.879342081e+01 -3.765371867e+00 -2.808568781e+00 2.22 2.084878921e+01 3.127685971e+00 1.823467122e+01 2.082090027e+01 2.079301132e+01 -4.499480456e+00 -1.804928972e+00 1.698753544e+01 -3.803394725e+00 -3.363869363e+00 2.24 1.893293356e+01 1.783569243e+00 1.655517966e+01 1.890863885e+01 1.888434415e+01 -4.532211297e+00 -2.783929301e+00 1.530290506e+01 -3.841583679e+00 -3.682065002e+00 2.26 1.714561889e+01 5.014203179e-01 1.489904360e+01 1.712354722e+01 1.710147555e+01 -4.561233829e+00 -3.410365236e+00 1.372964645e+01 -3.876678738e+00 -3.856838403e+00 2.28 1.547737750e+01 -7.152576681e-01 1.327013666e+01 1.545607722e+01 1.543477695e+01 -4.586340996e+00 -3.779682669e+00 1.225806022e+01 -3.905471185e+00 -3.947593281e+00 2.30 1.391849766e+01 -1.863272464e+00 1.167338629e+01 1.389676341e+01 1.387502916e+01 -4.606646367e+00 -3.980328977e+00 1.087884837e+01 -3.925651358e+00 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