# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Starikov-S-Gordeev-I-Lysogorskiy-Y-et-al--Si-Au-Al # implementation = 2020--Starikov-S--Si-Au-Al--LAMMPS--ipr1 # composition = Au # 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 1.140673251e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.043122469e+03 nan 0.82 nan nan nan nan nan nan nan nan 9.553661642e+02 nan 0.84 nan nan nan nan nan 7.671232284e+02 nan nan 8.765929844e+02 nan 0.86 nan nan nan nan nan 7.079562830e+02 nan nan 8.057386684e+02 nan 0.88 nan nan nan nan nan 6.549284858e+02 nan nan 7.420586047e+02 nan 0.90 nan nan nan nan nan 6.073391300e+02 nan nan 6.848453373e+02 nan 0.92 nan nan nan nan nan 5.645757831e+02 nan nan 6.335048764e+02 nan 0.94 nan nan nan 1.225457926e+03 1.225901488e+03 5.259902049e+02 nan nan 5.872790725e+02 8.191493013e+02 0.96 nan 7.546271884e+02 nan 1.137931642e+03 1.138553828e+03 4.903141120e+02 7.685742714e+02 nan 5.456535322e+02 7.593890464e+02 0.98 nan 7.004701292e+02 nan 1.058114915e+03 1.058912889e+03 4.579191143e+02 7.124199207e+02 nan 5.079991936e+02 7.052582370e+02 1.00 nan 6.510013605e+02 nan 9.850806839e+02 9.858376282e+02 4.280845828e+02 6.615931760e+02 nan 4.738370355e+02 6.561659151e+02 1.02 nan 6.055516006e+02 nan 9.182641606e+02 9.188082244e+02 4.006020513e+02 6.155697355e+02 nan 4.425627129e+02 6.116571023e+02 1.04 nan 5.636650197e+02 nan 8.567955254e+02 8.570452999e+02 3.753685990e+02 5.738217850e+02 nan 4.141084288e+02 5.711465993e+02 1.06 nan 5.250244681e+02 nan 7.997852146e+02 7.997811272e+02 3.523131525e+02 5.359102702e+02 7.449172669e+02 3.881059438e+02 5.340659961e+02 1.08 7.475504980e+02 4.895310641e+02 6.716254044e+02 7.473540980e+02 7.471322995e+02 3.313253951e+02 5.014538079e+02 6.957005871e+02 3.643616373e+02 5.002057553e+02 1.10 6.990555964e+02 4.570213502e+02 6.279030041e+02 6.987169579e+02 6.984042259e+02 3.122730962e+02 4.699726973e+02 6.500645065e+02 3.426691041e+02 4.690258345e+02 1.12 6.540283009e+02 4.273604752e+02 5.872709345e+02 6.536097248e+02 6.532610607e+02 2.942045645e+02 4.413239737e+02 6.078186573e+02 3.225207223e+02 4.403029411e+02 1.14 6.122440449e+02 4.003255634e+02 5.502531840e+02 6.118867246e+02 6.115969295e+02 2.778531362e+02 4.150409951e+02 5.688129689e+02 3.041568130e+02 4.138912753e+02 1.16 5.735648584e+02 3.757208605e+02 5.160464008e+02 5.733324307e+02 5.731266725e+02 2.626000808e+02 3.908775354e+02 5.329233141e+02 2.872173485e+02 3.896097142e+02 1.18 5.379115183e+02 3.533043986e+02 4.844643478e+02 5.378209539e+02 5.377134337e+02 2.484062087e+02 3.686373666e+02 5.000128799e+02 2.715971536e+02 3.672625587e+02 1.20 5.051831685e+02 3.328752653e+02 4.552819500e+02 5.052169442e+02 5.052011236e+02 2.352378560e+02 3.481368411e+02 4.698839123e+02 2.571920594e+02 3.467398754e+02 1.22 4.751701222e+02 3.142347098e+02 4.283174458e+02 4.752911388e+02 4.753394113e+02 2.230578807e+02 3.292139149e+02 4.422085509e+02 2.436118065e+02 3.279274673e+02 1.24 4.476711016e+02 2.972282281e+02 4.034461272e+02 4.478001464e+02 4.478766199e+02 2.118543416e+02 3.113866460e+02 4.168965418e+02 2.311965544e+02 3.106792680e+02 1.26 4.224661476e+02 2.816746018e+02 3.805656915e+02 4.225491031e+02 4.226255422e+02 2.016365210e+02 2.951162336e+02 3.936412732e+02 2.196617396e+02 2.948432724e+02 1.28 3.990648053e+02 2.674222638e+02 3.595701697e+02 3.990984614e+02 3.991574101e+02 1.923681732e+02 2.799509159e+02 3.720682320e+02 2.089803097e+02 2.797368913e+02 1.30 3.776807145e+02 2.543261740e+02 3.403218011e+02 3.776681688e+02 3.776980036e+02 1.839600640e+02 2.658215293e+02 3.522687275e+02 1.991030975e+02 2.660303916e+02 1.32 3.578404096e+02 2.422687959e+02 3.226679121e+02 3.578019105e+02 3.578068099e+02 1.763373946e+02 2.526544655e+02 3.338998181e+02 1.899802778e+02 2.530954075e+02 1.34 3.393910485e+02 2.311711176e+02 3.064159003e+02 3.393485203e+02 3.393443506e+02 1.694129611e+02 2.404008276e+02 3.168244989e+02 1.815747843e+02 2.408968775e+02 1.36 3.222085966e+02 2.209511242e+02 2.914258830e+02 3.221810582e+02 3.221793946e+02 1.631098351e+02 2.290132759e+02 3.009425442e+02 1.738575534e+02 2.294164610e+02 1.38 3.061873641e+02 2.115272777e+02 2.775800390e+02 3.061905009e+02 3.061959452e+02 1.573599711e+02 2.184587797e+02 2.861897578e+02 1.668085443e+02 2.186266383e+02 1.40 2.912774764e+02 2.028369260e+02 2.647863098e+02 2.913084908e+02 2.913189414e+02 1.521144638e+02 2.087080972e+02 2.725052610e+02 1.603835420e+02 2.085217582e+02 1.42 2.774342667e+02 1.948058160e+02 2.529451708e+02 2.774801744e+02 2.774952494e+02 1.473246619e+02 1.997207341e+02 2.598312913e+02 1.545315124e+02 1.990995180e+02 1.44 2.646046865e+02 1.873612007e+02 2.419600046e+02 2.646556805e+02 2.646774297e+02 1.429412141e+02 1.914185067e+02 2.480991078e+02 1.491864623e+02 1.903653783e+02 1.46 2.527228892e+02 1.804566607e+02 2.317510581e+02 2.527804965e+02 2.528104268e+02 1.389094221e+02 1.835609505e+02 2.372454923e+02 1.442997230e+02 1.823227341e+02 1.48 2.417309841e+02 1.737768954e+02 2.222738151e+02 2.417903838e+02 2.418259767e+02 1.352009304e+02 1.763878730e+02 2.272048906e+02 1.396661919e+02 1.749485832e+02 1.50 2.315567324e+02 1.677223514e+02 2.134933224e+02 2.316064043e+02 2.316418105e+02 1.317980202e+02 1.697078026e+02 2.179049660e+02 1.354896296e+02 1.681970047e+02 1.52 2.221254591e+02 1.619837506e+02 2.053486715e+02 2.221563534e+02 2.221865630e+02 1.286773097e+02 1.635002193e+02 2.092754024e+02 1.316103988e+02 1.620197096e+02 1.54 2.133527228e+02 1.565483752e+02 1.977706036e+02 2.133696910e+02 2.133943423e+02 1.258072446e+02 1.577418814e+02 2.012556000e+02 1.280117674e+02 1.563515093e+02 1.56 2.051950826e+02 1.514163665e+02 1.906143276e+02 2.051988953e+02 2.052191330e+02 1.231649677e+02 1.523998619e+02 1.937979654e+02 1.246761539e+02 1.511478809e+02 1.58 1.976114816e+02 1.465850829e+02 1.838071363e+02 1.976043102e+02 1.976221188e+02 1.207252304e+02 1.474402551e+02 1.868622403e+02 1.215785413e+02 1.463625549e+02 1.60 1.905648585e+02 1.420406736e+02 1.775099591e+02 1.905448632e+02 1.905582603e+02 1.184659619e+02 1.428272709e+02 1.804123761e+02 1.187004876e+02 1.419542541e+02 1.62 1.840056110e+02 1.374944268e+02 1.715442279e+02 1.839771500e+02 1.839860088e+02 1.163665848e+02 1.385379456e+02 1.744048572e+02 1.160336037e+02 1.378939266e+02 1.64 1.778773458e+02 1.333889713e+02 1.658942302e+02 1.778552429e+02 1.778607687e+02 1.144118958e+02 1.345607520e+02 1.688023608e+02 1.135705602e+02 1.341541293e+02 1.66 1.721420664e+02 1.294732960e+02 1.605421906e+02 1.721385112e+02 1.721417081e+02 1.125912584e+02 1.308856420e+02 1.635751604e+02 1.113059351e+02 1.307092303e+02 1.68 1.667786875e+02 1.257675590e+02 1.554757165e+02 1.667984530e+02 1.668000551e+02 1.108948457e+02 1.274932361e+02 1.586978503e+02 1.092305501e+02 1.275240133e+02 1.70 1.617719501e+02 1.222800709e+02 1.506881416e+02 1.618078656e+02 1.618082522e+02 1.049444729e+02 1.242890049e+02 1.541471448e+02 1.073295217e+02 1.245768387e+02 1.72 1.571080337e+02 1.189984015e+02 1.461674262e+02 1.571443760e+02 1.571435328e+02 8.798963113e+01 1.213651595e+02 1.499028806e+02 1.055901046e+02 1.218558719e+02 1.74 1.527564713e+02 1.159113482e+02 1.419074849e+02 1.527830357e+02 1.527809024e+02 7.408893377e+01 1.186571114e+02 1.459322093e+02 1.039999813e+02 1.193433488e+02 1.76 1.486848815e+02 1.130148856e+02 1.379138893e+02 1.487009357e+02 1.486980051e+02 6.287601774e+01 1.161391454e+02 1.418479249e+02 9.966932327e+01 1.170207830e+02 1.78 1.448755585e+02 1.103093228e+02 1.341961742e+02 1.448820579e+02 1.448788789e+02 5.380472420e+01 1.138020877e+02 1.382423066e+02 8.382813319e+01 1.148746900e+02 1.80 1.412772174e+02 1.077944721e+02 1.307309035e+02 1.412748041e+02 1.412723601e+02 4.637974109e+01 1.116241206e+02 1.347491864e+02 7.036911846e+01 1.128750238e+02 1.82 1.373626529e+02 1.054102897e+02 1.271621513e+02 1.373575089e+02 1.373587019e+02 4.008288130e+01 1.094198397e+02 1.312035561e+02 5.898666081e+01 1.107555370e+02 1.84 1.339939704e+02 1.032701277e+02 1.240483848e+02 1.339882956e+02 1.339939723e+02 3.485339318e+01 1.074659263e+02 1.278996110e+02 4.957557154e+01 1.089427798e+02 1.86 1.306874613e+02 1.013054693e+02 1.210587530e+02 1.306803737e+02 1.306896951e+02 3.037503031e+01 1.055962844e+02 1.246789805e+02 4.185891666e+01 1.071898864e+02 1.88 1.274513225e+02 9.950038317e+01 1.181963114e+02 1.274416584e+02 1.274528600e+02 2.643842227e+01 1.038103967e+02 1.215502755e+02 3.545432763e+01 1.054957203e+02 1.90 1.242906268e+02 9.784160387e+01 1.154634783e+02 1.242801725e+02 1.242913815e+02 2.292727379e+01 1.021100452e+02 1.185245270e+02 3.003549770e+01 1.038572142e+02 1.92 1.212180767e+02 8.522201776e+01 1.128585848e+02 1.212091478e+02 1.212183280e+02 1.979513327e+01 1.004990298e+02 1.156161608e+02 2.537412000e+01 1.022789981e+02 1.94 1.182477500e+02 7.170338358e+01 1.103797989e+02 1.182431001e+02 1.182493313e+02 1.700542152e+01 9.323190729e+01 1.128408189e+02 2.134808179e+01 9.377786470e+01 1.96 1.153938667e+02 6.084215331e+01 1.080267425e+02 1.153935180e+02 1.153972711e+02 1.450707811e+01 7.830514947e+01 1.102119867e+02 1.788416471e+01 7.827847936e+01 1.98 1.126654375e+02 5.192691942e+01 1.057996167e+02 1.126715570e+02 1.126747306e+02 1.225270580e+01 6.557841598e+01 1.077404049e+02 1.492149037e+01 6.531556639e+01 2.00 1.100728758e+02 4.432870901e+01 1.037018291e+02 1.100888592e+02 1.100940959e+02 1.018352528e+01 5.479658444e+01 1.054365395e+02 1.239910453e+01 5.459975305e+01 2.02 1.076315946e+02 3.761845913e+01 1.017386195e+02 1.076558560e+02 1.076630024e+02 8.273104684e+00 4.573496636e+01 1.033028827e+02 1.023307270e+01 4.567352519e+01 2.04 1.053559909e+02 3.165461472e+01 9.991533756e+01 1.053838552e+02 1.053915835e+02 6.510195554e+00 3.826730681e+01 1.013371776e+02 8.349748719e+00 3.820502018e+01 2.06 1.032579032e+02 2.633046828e+01 9.823845373e+01 1.032828275e+02 1.032895679e+02 4.883506506e+00 3.212261808e+01 9.953806855e+01 6.689193490e+00 3.192567597e+01 2.08 1.013327378e+02 2.161112081e+01 9.345930751e+01 1.013492255e+02 1.013537453e+02 3.637329212e+00 2.703638511e+01 9.789514447e+01 5.188862963e+00 2.663909054e+01 2.10 9.956359318e+01 1.751066916e+01 7.987778062e+01 9.957134509e+01 9.957386579e+01 2.814175835e+00 2.279941538e+01 9.639510989e+01 3.805940195e+00 2.229053703e+01 2.12 9.794170048e+01 1.401321872e+01 6.887196436e+01 9.794172879e+01 9.794249082e+01 2.095488179e+00 1.921127542e+01 8.133038642e+01 2.510653108e+00 1.870080725e+01 2.14 9.645912125e+01 1.107489678e+01 5.970268960e+01 9.645339803e+01 9.645245745e+01 1.467542248e+00 1.611772639e+01 6.789710028e+01 1.286558067e+00 1.570238130e+01 2.16 8.319527175e+01 8.639359102e+00 5.177138094e+01 8.241898120e+01 8.245614880e+01 9.120327907e-01 1.342307211e+01 5.670237628e+01 3.941148832e-01 1.317080575e+01 2.18 6.931961194e+01 6.635399771e+00 4.463621542e+01 6.938473556e+01 6.968920611e+01 4.164154425e-01 1.104964132e+01 4.749451080e+01 -1.589226947e-01 1.100888483e+01 2.20 5.763465703e+01 4.982051430e+00 3.806243552e+01 5.834880276e+01 5.882451120e+01 -2.767542492e-02 8.953803437e+00 3.996880487e+01 -6.348324568e-01 9.129688057e+00 2.22 4.805396316e+01 3.617087165e+00 3.212171620e+01 4.914468042e+01 4.970148290e+01 -4.262051669e-01 7.095210632e+00 3.384135525e+01 -1.037534276e+00 7.479410513e+00 2.24 4.040867296e+01 2.466524507e+00 2.682187536e+01 4.158003917e+01 4.214465513e+01 -7.834153392e-01 5.438187251e+00 2.879680219e+01 -1.382408837e+00 6.009274539e+00 2.26 3.434693832e+01 1.470510348e+00 2.219142024e+01 3.538112862e+01 3.590951568e+01 -1.102557706e+00 3.960767515e+00 2.452659633e+01 -1.680927100e+00 4.676331522e+00 2.28 2.940775209e+01 5.876397477e-01 1.826142720e+01 3.021311780e+01 3.069599449e+01 -1.386778008e+00 2.642195966e+00 2.086152673e+01 -1.939593118e+00 3.442791869e+00 2.30 2.524531138e+01 -2.060041392e-01 1.501013224e+01 2.581873035e+01 2.626827643e+01 -1.639471346e+00 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