# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1988--Tersoff-J--Si-b # implementation = 1988--Tersoff-J--Si-b--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 3.158015455e+03 nan nan nan nan 0.60 nan nan nan nan nan 2.799437845e+03 nan nan nan nan 0.62 nan nan nan nan nan 2.488715180e+03 nan nan 2.902259626e+03 nan 0.64 nan nan nan nan nan 2.218534192e+03 nan nan 2.585832969e+03 nan 0.66 nan nan nan nan nan 1.981728028e+03 nan nan 2.308676176e+03 nan 0.68 nan 2.914917161e+03 nan nan nan 1.772896889e+03 2.975758115e+03 nan 2.065557519e+03 2.933849962e+03 0.70 nan 2.621042814e+03 nan nan nan 1.589007427e+03 2.677338260e+03 nan 1.851916307e+03 2.639161839e+03 0.72 nan 2.361075246e+03 nan nan nan 1.427214342e+03 2.412489744e+03 nan 1.663430007e+03 2.378290971e+03 0.74 nan 2.130033946e+03 2.939966673e+03 nan nan 1.284742436e+03 2.177114374e+03 3.035089135e+03 1.496346508e+03 2.147380131e+03 0.76 2.958422374e+03 1.924490189e+03 2.666857223e+03 2.958127966e+03 2.957986937e+03 1.158524293e+03 1.968034275e+03 2.754054164e+03 1.347884403e+03 1.942456230e+03 0.78 2.690770385e+03 1.741361224e+03 2.422685929e+03 2.690007889e+03 2.689669699e+03 1.046110387e+03 1.781929587e+03 2.502577884e+03 1.215746492e+03 1.759258506e+03 0.80 2.450135698e+03 1.577283260e+03 2.203633339e+03 2.449589230e+03 2.449297344e+03 9.455003166e+02 1.615716666e+03 2.276603753e+03 1.098010045e+03 1.594910243e+03 0.82 2.233420410e+03 1.430369462e+03 2.006974292e+03 2.233540262e+03 2.233486158e+03 8.555455441e+02 1.466627476e+03 2.073437348e+03 9.927986656e+02 1.447578535e+03 0.84 2.038193490e+03 1.298518156e+03 1.829451290e+03 2.038833351e+03 2.039022114e+03 7.749363797e+02 1.332322102e+03 1.890733038e+03 8.985265714e+02 1.315661696e+03 0.86 1.862238653e+03 1.179773892e+03 1.668956473e+03 1.862980016e+03 1.863309503e+03 7.026007540e+02 1.211528958e+03 1.726124975e+03 8.139802681e+02 1.197407520e+03 0.88 1.703557053e+03 1.072879065e+03 1.524028899e+03 1.704077742e+03 1.704467888e+03 6.376158242e+02 1.102978843e+03 1.577710799e+03 7.381102075e+02 1.090815107e+03 0.90 1.560233906e+03 9.765867067e+02 1.393287486e+03 1.560314733e+03 1.560701441e+03 5.791680178e+02 1.005217592e+03 1.443547356e+03 6.698629067e+02 9.945505291e+02 0.92 1.430127676e+03 8.897559669e+02 1.275392335e+03 1.429942339e+03 1.430197755e+03 5.266497968e+02 9.169301733e+02 1.321845223e+03 6.084058370e+02 9.073260070e+02 0.94 1.311990199e+03 8.111581089e+02 1.168838771e+03 1.311626081e+03 1.311627507e+03 4.794474749e+02 8.369069056e+02 1.211332023e+03 5.530868916e+02 8.284109750e+02 0.96 1.204253817e+03 7.398524897e+02 1.071660481e+03 1.203986954e+03 1.203795998e+03 4.366843631e+02 7.642077892e+02 1.110736393e+03 5.031789336e+02 7.567358415e+02 0.98 1.106039538e+03 6.751157350e+02 9.829368593e+02 1.106000120e+03 1.105718035e+03 3.978998540e+02 6.981446428e+02 1.019179186e+03 4.580674060e+02 6.916868900e+02 1.00 1.016563408e+03 6.163752295e+02 9.019796003e+02 1.016663377e+03 1.016394489e+03 3.626941040e+02 6.380785879e+02 9.359029689e+02 4.172184153e+02 6.326840307e+02 1.02 9.350468736e+02 5.630002775e+02 8.279327683e+02 9.351695453e+02 9.350093300e+02 3.305083327e+02 5.834807212e+02 8.600955154e+02 3.801773775e+02 5.791050712e+02 1.04 8.606970605e+02 5.144599983e+02 7.603477553e+02 8.607788865e+02 8.607540179e+02 3.012185374e+02 5.339391100e+02 7.908318751e+02 3.465593295e+02 5.304052662e+02 1.06 7.928401510e+02 4.700666855e+02 6.987683412e+02 7.927558392e+02 7.928088017e+02 2.746985960e+02 4.889464753e+02 7.273107586e+02 3.159582621e+02 4.861571662e+02 1.08 7.304086025e+02 4.294216256e+02 6.426459180e+02 7.302637065e+02 7.303907011e+02 2.507372208e+02 4.480814614e+02 6.688530256e+02 2.879937009e+02 4.459016653e+02 1.10 6.727183754e+02 3.923461611e+02 5.912680884e+02 6.727101613e+02 6.729105760e+02 2.290578290e+02 4.109005109e+02 6.151460115e+02 2.624443879e+02 4.091478193e+02 1.12 6.196359248e+02 3.586444742e+02 5.440290961e+02 6.197931559e+02 6.199970201e+02 2.094228557e+02 3.769370276e+02 5.659839848e+02 2.391310378e+02 3.755675430e+02 1.14 5.709712859e+02 3.280595614e+02 5.004478548e+02 5.711819150e+02 5.713382958e+02 1.914795827e+02 3.457843420e+02 5.210351263e+02 2.179216918e+02 3.448537415e+02 1.16 5.264107002e+02 3.002686384e+02 4.602781932e+02 5.265901742e+02 5.266802157e+02 1.749912015e+02 3.172046865e+02 4.799363117e+02 1.986576424e+02 3.165850369e+02 1.18 4.856076201e+02 2.749778681e+02 4.234137027e+02 4.857175136e+02 4.857387032e+02 1.598752603e+02 2.910162791e+02 4.423487596e+02 1.811106355e+02 2.904242671e+02 1.20 4.482641164e+02 2.518709893e+02 3.897046340e+02 4.482340130e+02 4.481503028e+02 1.460604286e+02 2.670268890e+02 4.078847605e+02 1.651033944e+02 2.663112660e+02 1.22 4.140318932e+02 2.306305907e+02 3.589353975e+02 4.138218533e+02 4.136135529e+02 1.334549264e+02 2.450577484e+02 3.761387489e+02 1.504511242e+02 2.441750815e+02 1.24 3.824819019e+02 2.110433468e+02 3.308082227e+02 3.821499166e+02 3.818453386e+02 1.219100903e+02 2.248854618e+02 3.468685062e+02 1.370420436e+02 2.239209111e+02 1.26 3.533642239e+02 1.929442545e+02 3.050195155e+02 3.529728249e+02 3.526071065e+02 1.113402050e+02 2.063311387e+02 3.198709563e+02 1.247984132e+02 2.054068755e+02 1.28 3.263144969e+02 1.762390633e+02 2.813115682e+02 3.259554841e+02 3.256055621e+02 1.016684371e+02 1.892548508e+02 2.948825866e+02 1.136292532e+02 1.883174852e+02 1.30 3.012084907e+02 1.608811408e+02 2.594428784e+02 3.009400990e+02 3.006726237e+02 9.279085417e+01 1.734673725e+02 2.717785169e+02 1.034233111e+02 1.725645744e+02 1.32 2.779698853e+02 1.468222366e+02 2.392628375e+02 2.778227530e+02 2.776760843e+02 8.464704103e+01 1.588425829e+02 2.504578924e+02 9.412023275e+01 1.580848277e+02 1.34 2.565021584e+02 1.339955444e+02 2.206442384e+02 2.564876090e+02 2.564734995e+02 7.718375187e+01 1.453364310e+02 2.308261959e+02 8.564035603e+01 1.447750441e+02 1.36 2.367192073e+02 1.223173477e+02 2.034649630e+02 2.368209210e+02 2.369230450e+02 7.034589911e+01 1.328372625e+02 2.127749197e+02 7.790882977e+01 1.325922233e+02 1.38 2.185196529e+02 1.116855860e+02 1.876088519e+02 2.186982016e+02 2.188771304e+02 6.407821720e+01 1.212980725e+02 1.961293241e+02 7.086534748e+01 1.214770137e+02 1.40 2.017885088e+02 1.019893468e+02 1.729617163e+02 2.020054312e+02 2.022227045e+02 5.832136134e+01 1.107075357e+02 1.807607298e+02 6.443857065e+01 1.113520154e+02 1.42 1.863524236e+02 9.308908261e+01 1.593806472e+02 1.865877083e+02 1.868233103e+02 5.301493836e+01 1.010202879e+02 1.665694667e+02 5.857577650e+01 1.020981561e+02 1.44 1.720567154e+02 8.488596925e+01 1.467660229e+02 1.723061702e+02 1.725558981e+02 4.812259131e+01 9.219493510e+01 1.534498914e+02 5.322379478e+01 9.359888268e+01 1.46 1.587747166e+02 7.732164449e+01 1.350657374e+02 1.590448073e+02 1.593151176e+02 4.361211299e+01 8.417450416e+01 1.413055808e+02 4.832185957e+01 8.573649957e+01 1.48 1.464480316e+02 7.035568720e+01 1.241605616e+02 1.467225578e+02 1.469972388e+02 3.941705446e+01 7.684935802e+01 1.300798029e+02 4.379537925e+01 7.846592731e+01 1.50 1.350299901e+02 6.395028484e+01 1.139359800e+02 1.352696540e+02 1.355093936e+02 3.547503091e+01 7.013813499e+01 1.197175973e+02 3.961539042e+01 7.175630217e+01 1.52 1.244707772e+02 5.801831803e+01 1.044054801e+02 1.246483017e+02 1.248258156e+02 3.179432356e+01 6.399092586e+01 1.101613482e+02 3.575844934e+01 6.557560516e+01 1.54 1.147173795e+02 5.251862233e+01 9.557462394e+01 1.148177528e+02 1.149180302e+02 2.838198686e+01 5.835199197e+01 1.013518047e+02 3.220864004e+01 5.989031687e+01 1.56 1.057143046e+02 4.744040867e+01 8.743712649e+01 1.057336778e+02 1.057528779e+02 2.524142258e+01 5.315558814e+01 9.322479716e+01 2.895008340e+01 5.466558807e+01 1.58 9.740481128e+01 4.274841930e+01 7.997390749e+01 9.734861777e+01 9.729218800e+01 2.237117239e+01 4.837145550e+01 8.567668745e+01 2.595292108e+01 4.986580840e+01 1.60 8.973238945e+01 3.843071783e+01 7.315364627e+01 8.961296116e+01 8.949325181e+01 1.976427481e+01 4.397283194e+01 7.866103758e+01 2.319680961e+01 4.545542547e+01 1.62 8.262587104e+01 3.447266515e+01 6.692508883e+01 8.246363339e+01 8.230108653e+01 1.740825337e+01 3.993264598e+01 7.210108144e+01 2.067090917e+01 4.138995871e+01 1.64 7.594700150e+01 3.085237336e+01 6.123482922e+01 7.577529535e+01 7.560327591e+01 1.528578502e+01 3.622374923e+01 6.594369800e+01 1.836331826e+01 3.759824287e+01 1.66 6.965068848e+01 2.755643680e+01 5.603687765e+01 6.950062694e+01 6.935027591e+01 1.337598410e+01 3.281931288e+01 6.019338868e+01 1.626043473e+01 3.405107782e+01 1.68 6.374417533e+01 2.456977822e+01 5.127781125e+01 6.363626065e+01 6.352810242e+01 1.165315024e+01 2.968679861e+01 5.485030843e+01 1.434146920e+01 3.074263782e+01 1.70 5.823108145e+01 2.187234759e+01 4.687693184e+01 5.816791212e+01 5.810455375e+01 1.007624066e+01 2.679905450e+01 4.990974079e+01 1.259249758e+01 2.766746961e+01 1.72 5.311058554e+01 1.943731084e+01 4.279773684e+01 5.308906032e+01 5.306740258e+01 8.627752290e+00 2.413388193e+01 4.536209516e+01 1.099981757e+01 2.482003382e+01 1.74 4.837723142e+01 1.722209988e+01 3.897894659e+01 4.838893168e+01 4.840055073e+01 7.263573175e+00 2.166119964e+01 4.119314906e+01 9.535995167e+00 2.219431687e+01 1.76 4.402107370e+01 1.520565611e+01 3.539994546e+01 4.405593883e+01 4.409076515e+01 5.978288778e+00 1.936973559e+01 3.738433696e+01 8.185153823e+00 1.978343379e+01 1.78 4.002789874e+01 1.337060810e+01 3.205826892e+01 4.007613146e+01 4.012435749e+01 4.782065210e+00 1.725070687e+01 3.391251948e+01 6.943381664e+00 1.757919921e+01 1.80 3.637937342e+01 1.169409774e+01 2.895038075e+01 3.643188027e+01 3.648440209e+01 3.682364485e+00 1.529567084e+01 3.074100355e+01 5.801679108e+00 1.557172080e+01 1.82 3.305318910e+01 1.016060861e+01 2.607137654e+01 3.310207200e+01 3.315098139e+01 2.683512127e+00 1.349636102e+01 2.784117118e+01 4.752356565e+00 1.374913739e+01 1.84 3.002347514e+01 8.758668887e+00 2.341485586e+01 3.006253171e+01 3.010161624e+01 1.786462272e+00 1.184456911e+01 2.518355526e+01 3.792691423e+00 1.209764207e+01 1.86 2.725291168e+01 7.477266038e+00 2.097287424e+01 2.727914140e+01 2.730539240e+01 9.887975698e-01 1.033205381e+01 2.272488187e+01 2.919847961e+00 1.059714531e+01 1.88 2.468541564e+01 6.305661855e+00 1.873592648e+01 2.470132786e+01 2.471725435e+01 2.850460758e-01 8.950470065e+00 2.044687033e+01 2.129819731e+00 9.216863397e+00 1.90 2.230397342e+01 5.235398526e+00 1.669296622e+01 2.231244870e+01 2.232093222e+01 -3.326337348e-01 7.691325420e+00 1.833277292e+01 1.404074127e+00 7.946318811e+00 1.92 2.009603963e+01 4.258765101e+00 1.483150821e+01 2.009971306e+01 2.010339017e+01 -8.734950781e-01 6.544648325e+00 1.637296215e+01 7.376374401e-01 6.777539621e+00 1.94 1.804990088e+01 3.368613402e+00 1.313786820e+01 1.805105018e+01 1.805220039e+01 -1.347213607e+00 5.484636411e+00 1.455873601e+01 1.306901633e-01 5.703132646e+00 1.96 1.615462023e+01 2.558317508e+00 1.159755836e+01 1.615509735e+01 1.615557446e+01 -1.763100661e+00 4.502881522e+00 1.288172498e+01 -4.177471956e-01 4.716240798e+00 1.98 1.439998519e+01 1.821736161e+00 1.018617064e+01 1.440053601e+01 1.440108682e+01 -2.134334994e+00 3.592475498e+00 1.133381008e+01 -9.145515559e-01 3.810503085e+00 2.00 1.276629872e+01 1.153177859e+00 8.884592829e+00 1.276694944e+01 1.276760016e+01 -2.469671787e+00 2.751296266e+00 9.899964841e+00 -1.370395639e+00 2.961977129e+00 2.02 1.123920021e+01 5.473684600e-01 7.685158896e+00 1.124000249e+01 1.124080477e+01 -2.771692968e+00 1.977965456e+00 8.568493543e+00 -1.786160145e+00 2.154811628e+00 2.04 9.816570555e+00 -5.788996785e-04 6.580719088e+00 9.817571633e+00 9.818572710e+00 -3.042809854e+00 1.270491010e+00 7.336052447e+00 -2.161873362e+00 1.393505018e+00 2.06 8.496030486e+00 -4.951917189e-01 5.564605567e+00 8.497271430e+00 8.498512375e+00 -3.285274086e+00 6.265703344e-01 6.199041660e+00 -2.496644974e+00 6.811915920e-01 2.08 7.274817276e+00 -9.406640504e-01 4.630600327e+00 7.276330154e+00 7.277843033e+00 -3.501187862e+00 4.390915386e-02 5.153561979e+00 -2.788774733e+00 1.982347382e-02 2.10 6.149715349e+00 -1.340880558e+00 3.772905238e+00 6.151519889e+00 6.153324428e+00 -3.692513527e+00 -4.795445360e-01 4.195408179e+00 -3.036395463e+00 -5.894692499e-01 2.12 5.117025492e+00 -1.699438848e+00 2.986114086e+00 5.119126031e+00 5.121226571e+00 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