# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Ko-W-S-Kim-D-H-Kwon-Y-J-Lee-M--Sn # implementation = 2018--Ko-W-S--Sn--LAMMPS--ipr1 # composition = Sn # 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 3.882672197e+02 nan nan nan nan 0.80 nan nan nan nan nan 3.690446209e+02 nan nan nan nan 0.82 nan nan nan nan nan 3.507132309e+02 nan nan 4.668957043e+02 nan 0.84 nan nan nan nan nan 3.332333620e+02 nan nan 4.421009948e+02 nan 0.86 nan nan nan nan nan 3.165670451e+02 nan nan 4.185612644e+02 nan 0.88 nan nan nan nan nan 3.006779562e+02 nan nan 3.962145898e+02 nan 0.90 nan 4.744039489e+02 nan nan nan 2.855313469e+02 nan nan 3.750020570e+02 4.729345044e+02 0.92 nan 4.491552850e+02 nan nan nan 2.710939779e+02 4.385086048e+02 nan 3.548676163e+02 4.499250356e+02 0.94 nan 4.251841037e+02 nan nan nan 2.573340543e+02 4.165875285e+02 nan 3.357579448e+02 4.279725483e+02 0.96 nan 4.024276798e+02 nan nan nan 2.442211647e+02 3.957001896e+02 nan 3.176223147e+02 4.070301901e+02 0.98 nan 3.808263045e+02 5.556246702e+02 nan nan 2.317262221e+02 3.757995176e+02 nan 3.004124687e+02 3.870531331e+02 1.00 nan 3.603231429e+02 5.288192808e+02 nan 5.563925224e+02 2.198214078e+02 3.568405342e+02 5.266104634e+02 2.840825007e+02 3.679984878e+02 1.02 5.297162645e+02 3.408640979e+02 5.032411151e+02 5.296686419e+02 5.296210194e+02 2.084801170e+02 3.387802622e+02 5.007633981e+02 2.685887426e+02 3.498252214e+02 1.04 5.041646850e+02 3.223976805e+02 4.788357892e+02 5.041182294e+02 5.040717738e+02 1.976769073e+02 3.215776378e+02 4.761190792e+02 2.538896566e+02 3.324940788e+02 1.06 4.797814159e+02 3.048748860e+02 4.555512735e+02 4.797361009e+02 4.796907859e+02 1.873874491e+02 3.051934272e+02 4.526233601e+02 2.399457319e+02 3.159675073e+02 1.08 4.565147860e+02 2.882490758e+02 4.333377922e+02 4.564705857e+02 4.564263855e+02 1.775884779e+02 2.895901464e+02 4.302244745e+02 2.267193875e+02 3.002095840e+02 1.10 4.343153551e+02 2.724758659e+02 4.121477281e+02 4.342722444e+02 4.342291337e+02 1.682577491e+02 2.747319849e+02 4.088729337e+02 2.141748786e+02 2.851859471e+02 1.12 4.131358195e+02 2.575130186e+02 3.919355303e+02 4.130937736e+02 4.130517278e+02 1.593739940e+02 2.605847321e+02 3.885214282e+02 2.022782080e+02 2.708637288e+02 1.14 3.929309215e+02 2.433203413e+02 3.726576264e+02 3.928899164e+02 3.928489112e+02 1.509168781e+02 2.471157073e+02 3.691247335e+02 1.909970421e+02 2.572114924e+02 1.16 3.736573627e+02 2.298595891e+02 3.542723380e+02 3.736173746e+02 3.735773864e+02 1.428669614e+02 2.342936926e+02 3.506396204e+02 1.803006298e+02 2.441991706e+02 1.18 3.552737205e+02 2.170943715e+02 3.367398004e+02 3.552347263e+02 3.551957321e+02 1.352056596e+02 2.220888689e+02 3.330247682e+02 1.701597263e+02 2.317980078e+02 1.20 3.377403689e+02 2.049900646e+02 3.200218847e+02 3.377023460e+02 3.376643230e+02 1.279152076e+02 2.104727540e+02 3.162406824e+02 1.605465206e+02 2.199805037e+02 1.22 3.210194016e+02 1.935137265e+02 3.040821239e+02 3.209823278e+02 3.209452540e+02 1.209786242e+02 1.994181445e+02 3.002496153e+02 1.514345654e+02 2.087203599e+02 1.24 3.050745594e+02 1.826340174e+02 2.888856420e+02 3.050384130e+02 3.050022667e+02 1.143796785e+02 1.888990589e+02 2.850154906e+02 1.427987116e+02 1.979924283e+02 1.26 2.898711595e+02 1.723211227e+02 2.743990859e+02 2.898359194e+02 2.898006793e+02 1.081028575e+02 1.788906842e+02 2.705038308e+02 1.346150452e+02 1.877726623e+02 1.28 2.753760288e+02 1.625466804e+02 2.605905599e+02 2.753416742e+02 2.753073197e+02 1.021333351e+02 1.693693243e+02 2.566816873e+02 1.268608273e+02 1.780380692e+02 1.30 2.615574393e+02 1.532837114e+02 2.474295638e+02 2.615239500e+02 2.614904607e+02 9.645694292e+01 1.603123510e+02 2.435175749e+02 1.195144377e+02 1.687666653e+02 1.32 2.483850466e+02 1.445065536e+02 2.348869330e+02 2.483524027e+02 2.483197589e+02 9.106014120e+01 1.516981565e+02 2.309814073e+02 1.125553199e+02 1.599374327e+02 1.34 2.358298306e+02 1.361907985e+02 2.229347806e+02 2.357980127e+02 2.357661948e+02 8.592999220e+01 1.435061087e+02 2.190444365e+02 1.059639299e+02 1.515302775e+02 1.36 2.238640390e+02 1.283132315e+02 2.115464437e+02 2.238330281e+02 2.238020172e+02 8.105413395e+01 1.357165079e+02 2.076791948e+02 9.972168700e+01 1.435259906e+02 1.38 2.124611331e+02 1.208517741e+02 2.006964295e+02 2.124309107e+02 2.124006882e+02 7.642075537e+01 1.283105457e+02 1.968594385e+02 9.381092689e+01 1.359062093e+02 1.40 2.015957360e+02 1.137854300e+02 1.903603661e+02 2.015662838e+02 2.015368315e+02 7.201857236e+01 1.212702654e+02 1.865600950e+02 8.821485721e+01 1.286533811e+02 1.42 1.912435825e+02 1.070942326e+02 1.805149538e+02 1.912148827e+02 1.911861830e+02 6.783680499e+01 1.145785245e+02 1.767572111e+02 8.291751512e+01 1.217507285e+02 1.44 1.813814717e+02 1.007591959e+02 1.711379187e+02 1.813535070e+02 1.813255423e+02 6.386515557e+01 1.082189583e+02 1.674279048e+02 7.790372690e+01 1.151822159e+02 1.46 1.719872212e+02 9.476226685e+01 1.622079691e+02 1.719599746e+02 1.719327279e+02 6.009378773e+01 1.021759459e+02 1.585503177e+02 7.315906961e+01 1.089325178e+02 1.48 1.630396235e+02 8.908628086e+01 1.537047527e+02 1.630130783e+02 1.629865331e+02 5.651330635e+01 9.643457661e+01 1.501035708e+02 6.866983446e+01 1.029869874e+02 1.50 1.545184041e+02 8.371491878e+01 1.456088162e+02 1.544925440e+02 1.544666840e+02 5.311473829e+01 9.098061883e+01 1.420677213e+02 6.442299203e+01 9.733162791e+01 1.52 1.464041810e+02 7.863266615e+01 1.379015663e+02 1.463789902e+02 1.463537994e+02 4.988951408e+01 8.580048963e+01 1.344237215e+02 6.040615918e+01 9.195306438e+01 1.54 1.386784270e+02 7.382477438e+01 1.305652329e+02 1.386538899e+02 1.386293527e+02 4.682945023e+01 8.088122597e+01 1.271533799e+02 5.660756749e+01 8.683851647e+01 1.56 1.313234321e+02 6.927722374e+01 1.235828332e+02 1.312995334e+02 1.312756347e+02 4.392673241e+01 7.621045707e+01 1.202393232e+02 5.301603323e+01 8.197577290e+01 1.58 1.243222689e+02 6.497668813e+01 1.169381376e+02 1.242989937e+02 1.242757185e+02 4.117389932e+01 7.177637801e+01 1.136649604e+02 4.962092888e+01 7.735316677e+01 1.60 1.176587583e+02 6.091050149e+01 1.106156371e+02 1.176360921e+02 1.176134259e+02 3.856382719e+01 6.756772448e+01 1.074144486e+02 4.641215587e+01 7.295955184e+01 1.62 1.113174376e+02 5.706662587e+01 1.046005123e+02 1.112953661e+02 1.112732946e+02 3.608971503e+01 6.357374864e+01 1.014726600e+02 4.338011878e+01 6.878427998e+01 1.64 1.052835294e+02 5.343362096e+01 9.887860302e+01 1.052620386e+02 1.052405479e+02 3.374507044e+01 5.978419605e+01 9.582515023e+01 4.051570069e+01 6.481717946e+01 1.66 9.954291168e+01 5.000061511e+01 9.343637999e+01 9.952198810e+01 9.950106453e+01 3.152369608e+01 5.618928358e+01 9.045812835e+01 3.781023977e+01 6.104853424e+01 1.68 9.408208994e+01 4.675727769e+01 8.826091729e+01 9.406172019e+01 9.404135043e+01 2.941967670e+01 5.277967832e+01 8.535842793e+01 3.525550697e+01 5.746906408e+01 1.70 8.888816957e+01 4.369379285e+01 8.333986614e+01 8.886834061e+01 8.884851164e+01 2.742736669e+01 4.954647739e+01 8.051347955e+01 3.284368485e+01 5.406990558e+01 1.72 8.394883000e+01 4.080083440e+01 7.866142969e+01 8.392952907e+01 8.391022815e+01 2.554137825e+01 4.648118867e+01 7.591128429e+01 3.056734733e+01 5.084259391e+01 1.74 7.925229975e+01 3.806954207e+01 7.421433905e+01 7.923351441e+01 7.921472906e+01 2.375656995e+01 4.357571233e+01 7.154038857e+01 2.841944056e+01 4.777904544e+01 1.76 7.478733261e+01 3.549149869e+01 6.998783020e+01 7.476905065e+01 7.475076869e+01 2.206803593e+01 4.082232325e+01 6.738985993e+01 2.639326457e+01 4.487154108e+01 1.78 7.054318472e+01 3.305870868e+01 6.597162191e+01 7.052539422e+01 7.050760372e+01 2.047109539e+01 3.821365408e+01 6.344926395e+01 2.448245592e+01 4.211271024e+01 1.80 6.650959275e+01 3.076357740e+01 6.215589473e+01 6.649228206e+01 6.647497137e+01 1.896128272e+01 3.574267922e+01 5.970864213e+01 2.268097115e+01 3.949551563e+01 1.82 6.267675296e+01 2.859889158e+01 5.853127068e+01 6.265991068e+01 6.264306840e+01 1.753433789e+01 3.340269937e+01 5.615849077e+01 2.098307102e+01 3.701323858e+01 1.84 5.903530111e+01 2.655780065e+01 5.508879399e+01 5.901891610e+01 5.900253109e+01 1.618619736e+01 3.118732680e+01 5.278974069e+01 1.938330556e+01 3.465946507e+01 1.86 5.557629336e+01 2.463379902e+01 5.181991255e+01 5.556035472e+01 5.554441608e+01 1.491298535e+01 2.909047131e+01 4.959373798e+01 1.787649976e+01 3.242807233e+01 1.88 5.229118780e+01 2.282070912e+01 4.871646023e+01 5.227568487e+01 5.226018195e+01 1.371100547e+01 2.710632676e+01 4.656222539e+01 1.645774008e+01 3.031321602e+01 1.90 4.917182692e+01 2.111266532e+01 4.577063989e+01 4.915674929e+01 4.914167166e+01 1.257673273e+01 2.522935823e+01 4.368732472e+01 1.512236148e+01 2.830931794e+01 1.92 4.621042081e+01 1.950409863e+01 4.297500722e+01 4.619575829e+01 4.618109577e+01 1.150680593e+01 2.345428970e+01 4.096151987e+01 1.386593523e+01 2.641105431e+01 1.94 4.339953096e+01 1.798972210e+01 4.032245514e+01 4.338527360e+01 4.337101623e+01 1.049802030e+01 2.177609237e+01 3.837764066e+01 1.268425713e+01 2.461334452e+01 1.96 4.073205496e+01 1.656451695e+01 3.780619900e+01 4.071819301e+01 4.070433106e+01 9.547320532e+00 2.018997337e+01 3.592884734e+01 1.157333650e+01 2.291134038e+01 1.98 3.820121165e+01 1.522371933e+01 3.541976235e+01 3.818773560e+01 3.817425954e+01 8.651794074e+00 1.869136508e+01 3.360861583e+01 1.052938554e+01 2.130041587e+01 2.00 3.580052702e+01 1.396280780e+01 3.315696332e+01 3.578742756e+01 3.577432810e+01 7.808664740e+00 1.727591489e+01 3.141072353e+01 9.548809324e+00 1.977615720e+01 2.02 3.352382075e+01 1.277749131e+01 3.101190164e+01 3.351108878e+01 3.349835681e+01 7.015286585e+00 1.593947536e+01 2.932923583e+01 8.628196229e+00 1.833435352e+01 2.04 3.136519318e+01 1.166369783e+01 2.897894616e+01 3.135281981e+01 3.134044644e+01 6.269138046e+00 1.467809493e+01 2.735849314e+01 7.764308821e+00 1.697098780e+01 2.06 2.931901304e+01 1.061756352e+01 2.705272295e+01 2.930698958e+01 2.929496611e+01 5.567816343e+00 1.348800891e+01 2.549309856e+01 6.954075223e+00 1.568222825e+01 2.08 2.737990552e+01 9.635422413e+00 2.522810389e+01 2.736822346e+01 2.735654140e+01 4.909032130e+00 1.236563102e+01 2.372790603e+01 6.194580881e+00 1.446442011e+01 2.10 2.554274099e+01 8.713796605e+00 2.350019579e+01 2.553139203e+01 2.552004307e+01 4.290604364e+00 1.130754513e+01 2.205800901e+01 5.483060734e+00 1.331407770e+01 2.12 2.380262413e+01 7.849386910e+00 2.186432993e+01 2.379160014e+01 2.378057616e+01 3.710455419e+00 1.031049758e+01 2.047872974e+01 4.816891776e+00 1.222787690e+01 2.14 2.215488357e+01 7.039063981e+00 2.031605209e+01 2.214417662e+01 2.213346968e+01 3.166606396e+00 9.371389626e+00 1.898560884e+01 4.193585976e+00 1.120264794e+01 2.16 2.059506196e+01 6.279859857e+00 1.885111302e+01 2.058466430e+01 2.057426663e+01 2.657172647e+00 8.487270391e+00 1.757439546e+01 3.610783537e+00 1.023536848e+01 2.18 1.911890648e+01 5.568959921e+00 1.746545928e+01 1.910881051e+01 1.909871454e+01 2.180359500e+00 7.655330050e+00 1.624103787e+01 3.066246506e+00 9.323157022e+00 2.20 1.772235974e+01 4.903695254e+00 1.615522453e+01 1.771255805e+01 1.770275636e+01 1.734458163e+00 6.872893334e+00 1.498167441e+01 2.557852674e+00 8.463266578e+00 2.22 1.640155110e+01 4.281535350e+00 1.491672118e+01 1.639203645e+01 1.638252180e+01 1.317841807e+00 6.137413334e+00 1.379262485e+01 2.083589788e+00 7.653078633e+00 2.24 1.515278836e+01 3.700081202e+00 1.374643238e+01 1.514355367e+01 1.513431897e+01 9.289618401e-01 5.446465579e+00 1.267038219e+01 1.641550051e+00 6.890097379e+00 2.26 1.397254980e+01 3.157058710e+00 1.264100439e+01 1.396358814e+01 1.395462648e+01 5.663443190e-01 4.797742378e+00 1.161160477e+01 1.229924874e+00 6.171944180e+00 2.28 1.285747657e+01 2.650312423e+00 1.159723927e+01 1.284878118e+01 1.284008580e+01 2.285865386e-01 4.189047417e+00 1.061310873e+01 8.469999094e-01 5.496352294e+00 2.30 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