# 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_001 # 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 8.557713686e+03 3.514668332e+03 6.915828016e+03 8.558638850e+03 8.559537083e+03 2.830267467e+03 4.236742470e+03 7.366431252e+03 2.557758901e+03 4.517875465e+03 0.52 6.302074802e+03 2.500488654e+03 5.051979841e+03 6.302689889e+03 6.303299451e+03 2.081347091e+03 3.070220622e+03 5.391403019e+03 1.850884756e+03 3.300462831e+03 0.54 4.637461715e+03 1.775591399e+03 3.686706044e+03 4.637577149e+03 4.637692583e+03 1.529678117e+03 2.224197109e+03 3.942028451e+03 1.338848188e+03 2.410261677e+03 0.56 3.408397354e+03 1.257290442e+03 2.686756571e+03 3.408155189e+03 3.407913025e+03 1.123019281e+03 1.609799232e+03 2.878052869e+03 9.675189154e+02 1.758547555e+03 0.58 2.500763976e+03 8.872389173e+02 1.955056766e+03 2.500508492e+03 2.500253009e+03 8.234717584e+02 1.163028763e+03 2.097093650e+03 6.981083561e+02 1.280969846e+03 0.60 1.830954628e+03 6.237556343e+02 1.420010945e+03 1.830861587e+03 1.830768546e+03 6.029544774e+02 8.379246469e+02 1.524260995e+03 5.027013764e+02 9.312087479e+02 0.62 1.336998374e+03 4.365277424e+02 1.028787074e+03 1.337133343e+03 1.337268311e+03 4.406268137e+02 6.015605306e+02 1.104592104e+03 3.610744938e+02 6.751806534e+02 0.64 9.732882322e+02 3.036692062e+02 7.425501448e+02 9.735753611e+02 9.738624901e+02 3.210422841e+02 4.299932551e+02 7.977341425e+02 2.584344018e+02 4.879217005e+02 0.66 7.060324960e+02 2.094786472e+02 5.330843058e+02 7.062743135e+02 7.065161309e+02 2.328889739e+02 3.056624498e+02 5.738252168e+02 1.840847710e+02 3.511817399e+02 0.68 5.100459839e+02 1.427203988e+02 3.802968592e+02 5.101256138e+02 5.102052438e+02 1.681605932e+02 2.157990544e+02 4.106385995e+02 1.303642529e+02 2.515211474e+02 0.70 3.664189842e+02 9.551948098e+01 2.693884298e+02 3.663662928e+02 3.663136014e+02 1.208855441e+02 1.510648763e+02 2.916751221e+02 9.164454248e+01 1.789664032e+02 0.72 2.610501336e+02 6.237998209e+01 1.891946538e+02 2.609584263e+02 2.608667190e+02 8.647336241e+01 1.045895733e+02 2.049619258e+02 6.385147624e+01 1.261559393e+02 0.74 1.838131316e+02 3.932507549e+01 1.313487455e+02 1.837519258e+02 1.836907201e+02 6.141886575e+01 7.140245974e+01 1.420342661e+02 4.403094535e+01 8.778427706e+01 0.76 1.275408854e+02 2.346712008e+01 8.965799888e+01 1.275207249e+02 1.275005644e+02 4.308460692e+01 4.785223152e+01 9.673224497e+01 2.993092154e+01 6.011237446e+01 0.78 8.694540989e+01 1.271107262e+01 5.967694534e+01 8.694264705e+01 8.693988421e+01 2.962314355e+01 3.125980384e+01 6.441671037e+01 1.991184727e+01 4.043748026e+01 0.80 5.788577026e+01 5.544728535e+00 3.828762387e+01 5.788577026e+01 5.788577026e+01 1.981326336e+01 1.968623233e+01 4.155204562e+01 1.283322071e+01 2.661185540e+01 0.82 3.725753870e+01 8.872608067e-01 2.323081925e+01 3.725753870e+01 3.725753870e+01 1.277887669e+01 1.169767950e+01 2.551925035e+01 7.861647400e+00 1.701013228e+01 0.84 2.275001326e+01 -2.030595643e+00 1.277861606e+01 2.275001326e+01 2.275001326e+01 7.799160073e+00 6.201414278e+00 1.438958886e+01 4.358437149e+00 1.040380619e+01 0.86 1.264255975e+01 -3.754081893e+00 5.641785002e+00 1.264255975e+01 1.264255975e+01 4.316825153e+00 2.432888275e+00 6.761976720e+00 1.912125562e+00 5.859406311e+00 0.88 5.658592114e+00 -4.632011027e+00 8.783953875e-01 5.658592114e+00 5.658592114e+00 1.920694363e+00 -7.345209086e-02 1.613580303e+00 2.735941374e-01 2.674059593e+00 0.90 9.061212827e-01 -4.915022599e+00 -2.198071448e+00 9.061212827e-01 9.061212827e-01 3.080322647e-01 -1.645600716e+00 -1.773478450e+00 -7.484738766e-01 4.260973744e-01 0.92 -2.230552212e+00 -4.804584890e+00 -4.079028885e+00 -2.230552212e+00 -2.230552212e+00 -7.434955436e-01 -2.532136134e+00 -3.904304561e+00 -1.331794226e+00 -1.115374478e+00 0.94 -4.190056331e+00 -4.452271838e+00 -5.085685315e+00 -4.190056331e+00 -4.190056331e+00 -1.396685444e+00 -2.953956781e+00 -5.137729491e+00 -1.614511661e+00 -2.095028166e+00 0.96 -5.310925654e+00 -3.946984247e+00 -5.476742528e+00 -5.310925654e+00 -5.310925654e+00 -1.770308551e+00 -3.080682556e+00 -5.745178908e+00 -1.701751981e+00 -2.655462827e+00 0.98 -5.851910578e+00 -3.356526875e+00 -5.451291070e+00 -5.851910578e+00 -5.851910578e+00 -1.950636859e+00 -3.040865486e+00 -5.930214989e+00 -1.674266645e+00 -2.925955289e+00 1.00 -6.000000000e+00 -2.760046949e+00 -5.160536768e+00 -6.000000000e+00 -6.000000000e+00 -2.000000000e+00 -2.923188336e+00 -5.838202686e+00 -1.594793031e+00 -3.000000000e+00 1.02 -5.889393798e+00 -2.219210264e+00 -4.720492771e+00 -5.889393798e+00 -5.889393798e+00 -1.963131266e+00 -2.754069148e+00 -5.571930967e+00 -1.503132441e+00 -2.944696899e+00 1.04 -5.615605679e+00 -1.747315624e+00 -4.221381443e+00 -5.615605679e+00 -5.615605679e+00 -1.871868560e+00 -2.546638905e+00 -5.171795884e+00 -1.408765149e+00 -2.807802839e+00 1.06 -5.236097228e+00 -1.342022516e+00 -3.728057073e+00 -5.236097228e+00 -5.236097228e+00 -1.745365743e+00 -2.303504300e+00 -4.660046464e+00 -1.309024328e+00 -2.618048614e+00 1.08 -4.737377833e+00 -9.923249421e-01 -3.249825786e+00 -4.737377833e+00 -4.737377833e+00 -1.579125944e+00 -2.017397366e+00 -4.057364478e+00 -1.184344458e+00 -2.368688916e+00 1.10 -4.144617130e+00 -7.096662857e-01 -2.785344401e+00 -4.144617130e+00 -4.144617130e+00 -1.381539043e+00 -1.703478542e+00 -3.397318448e+00 -1.036154283e+00 -2.072308565e+00 1.12 -3.492300115e+00 -5.071348416e-01 -2.329427636e+00 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