# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Rajan-V-P-Warner-D-H-Curtin-W-A--fictional-toy-e # implementation = TIDP_RajanWarnerCurtin_2016E_User01__MO_971845881377_000 # composition = user01 # 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 2024-11-27 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 8.592711227e+03 3.527831744e+03 6.943512042e+03 8.593629807e+03 8.594524949e+03 2.841854870e+03 4.253413746e+03 7.396073274e+03 2.567826362e+03 4.536024442e+03 0.52 6.326977315e+03 2.509495869e+03 5.071535834e+03 6.327592409e+03 6.328200503e+03 2.089600790e+03 3.081898908e+03 5.412337295e+03 1.857937969e+03 3.313280076e+03 0.54 4.655150027e+03 1.781729015e+03 3.700472484e+03 4.655264342e+03 4.655378657e+03 1.535541213e+03 2.232360367e+03 3.956787026e+03 1.343786889e+03 2.419321512e+03 0.56 3.420922439e+03 1.261463387e+03 2.696419447e+03 3.420683975e+03 3.420445511e+03 1.127172421e+03 1.615490464e+03 2.888428892e+03 9.709758815e+02 1.764923436e+03 0.58 2.509612629e+03 8.900686769e+02 1.961828475e+03 2.509360872e+03 2.509109114e+03 8.264123335e+02 1.166989358e+03 2.104372232e+03 7.005215997e+02 1.285450516e+03 0.60 1.837203514e+03 6.256654749e+02 1.424738932e+03 1.837109723e+03 1.837015931e+03 6.050281160e+02 8.406724211e+02 1.529345364e+03 5.043853972e+02 9.343663270e+02 0.62 1.341374509e+03 4.378055244e+02 1.032072287e+03 1.341510740e+03 1.341646971e+03 4.420838077e+02 6.034658540e+02 1.108123118e+03 3.622446658e+02 6.773856727e+02 0.64 9.763440768e+02 3.045186200e+02 7.448148008e+02 9.766306248e+02 9.769171728e+02 3.220576153e+02 4.313126478e+02 8.001826215e+02 2.592436698e+02 4.894574706e+02 0.66 7.081646244e+02 2.100385502e+02 5.346394396e+02 7.084025907e+02 7.086405570e+02 2.335892244e+02 3.065666817e+02 5.755135807e+02 1.846398676e+02 3.522512227e+02 0.68 5.115205841e+02 1.430820461e+02 3.813569947e+02 5.115963778e+02 5.116721716e+02 1.686422455e+02 2.164189741e+02 4.117908242e+02 1.307460110e+02 2.522600208e+02 0.70 3.674312289e+02 9.575874273e+01 2.701215674e+02 3.673791215e+02 3.673270142e+02 1.212222258e+02 1.514859180e+02 2.924497707e+02 9.190395231e+01 1.794736602e+02 0.72 2.617301452e+02 6.253161088e+01 1.896893205e+02 2.616402106e+02 2.615502760e+02 8.670245386e+01 1.048708892e+02 2.054774245e+02 6.402431220e+01 1.264987074e+02 0.74 1.842669458e+02 3.942375058e+01 1.316788899e+02 1.842077017e+02 1.841484576e+02 6.157276417e+01 7.158933021e+01 1.423783813e+02 4.414755768e+01 8.801450391e+01 0.76 1.278552539e+02 2.352995493e+01 8.987117840e+01 1.278344400e+02 1.278136261e+02 4.318209797e+01 4.797324267e+01 9.696586149e+01 3.000532853e+01 6.026711750e+01 0.78 8.715303925e+01 1.274984231e+01 5.981279470e+01 8.714953913e+01 8.714603902e+01 2.968402676e+01 3.133700345e+01 6.456822114e+01 1.995850881e+01 4.053895174e+01 0.80 5.802070094e+01 5.568220160e+00 3.838094467e+01 5.802070094e+01 5.802070094e+01 1.985873681e+01 1.973714903e+01 4.164836206e+01 1.286152844e+01 2.667708624e+01 0.82 3.734341574e+01 9.012403284e-01 2.328993143e+01 3.734341574e+01 3.734341574e+01 1.280798780e+01 1.172903759e+01 2.557821493e+01 7.879873172e+00 1.705088639e+01 0.84 2.280313110e+01 -2.022389456e+00 1.281525345e+01 2.280313110e+01 2.280313110e+01 7.817368740e+00 6.217229817e+00 1.442434512e+01 4.367982469e+00 1.042810288e+01 0.86 1.267403179e+01 -3.751183922e+00 5.663903182e+00 1.267403179e+01 1.267403179e+01 4.327879671e+00 2.438412783e+00 6.781142549e+00 1.915126520e+00 5.872605070e+00 0.88 5.673957836e+00 -4.631159865e+00 8.913355134e-01 5.673957836e+00 5.673957836e+00 1.927145320e+00 -7.345693729e-02 1.623051461e+00 2.776258425e-01 2.675761731e+00 0.90 9.123985527e-01 -4.915243953e+00 -2.190766822e+00 9.123985527e-01 9.123985527e-01 3.115966260e-01 -1.642840237e+00 -1.770134962e+00 -7.465762065e-01 4.226122884e-01 0.92 -2.229433030e+00 -4.805298295e+00 -4.077034636e+00 -2.229433030e+00 -2.229433030e+00 -7.416773815e-01 -2.531246899e+00 -3.904272442e+00 -1.331175079e+00 -1.121317843e+00 0.94 -4.187606674e+00 -4.455067995e+00 -5.085658922e+00 -4.187606674e+00 -4.187606674e+00 -1.395868891e+00 -2.954120257e+00 -5.136595744e+00 -1.614627583e+00 -2.093803337e+00 0.96 -5.310054861e+00 -3.949977619e+00 -5.477709355e+00 -5.310054861e+00 -5.310054861e+00 -1.770018287e+00 -3.081421439e+00 -5.744860040e+00 -1.702276671e+00 -2.655027430e+00 0.98 -5.851736151e+00 -3.359655977e+00 -5.452663945e+00 -5.851736151e+00 -5.851736151e+00 -1.950578717e+00 -3.043156074e+00 -5.930135286e+00 -1.675024870e+00 -2.925868075e+00 1.00 -6.000000000e+00 -2.763348203e+00 -5.161994037e+00 -6.000000000e+00 -6.000000000e+00 -2.000000000e+00 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