{ "property-id" "tag:staff@noreply.openkim.org,2021-02-24:property/dislocation-core-energy-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "W" "W" ] } "a" { "source-value" 3.139999896287918 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.139999896287918e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-3m" } "cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "slip-plane-miller-indices" { "source-value" [ -1 1 0 ] } "dislocation-line-direction" { "source-value" [ 2 2 -1 ] } "burgers-vector-direction" { "source-value" [ 0.5 0.5 0.5 ] } "dislocation-core-radius" { "source-value" [ 0.25 0.5 0.75 1.0 2.0 3.0 4.0 5.0 6.0 ] } "core-energy-nonsingular" { "source-value" [ -0.17186964718648925 0.34095030224522443 0.6410279713507948 0.8540396383033949 1.3680133762569784 1.6702542108461849 1.8862157254598386 2.0552100207926207 2.1946929557696935 ] "source-std-uncert-value" [ 0.013807117779104601 0.013884717073558627 0.01401381226266859 0.01419404897721959 0.01553601565099538 0.017528904014332474 0.020199371979068882 0.023437500586915114 0.02711461717372348 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.753655328160169e-20 5.462626076125363e-20 1.027040037438665e-19 1.368322352999511e-19 2.191799066438381e-19 2.676042269457867e-19 3.022050762015112e-19 3.292809473276591e-19 3.516285772538598e-19 ] } "core-energy-isotropic" { "source-value" [ -0.0739569591545827 0.43877296105512087 0.738700737376861 0.9515028812665907 1.4642328014772192 1.7641605777995313 1.9769627216899672 2.1420248880942405 2.2768904980102276 ] "source-std-uncert-value" [ 0.01378122762233777 0.013781227620608376 0.013781227620731085 0.013781227621807236 0.013781227621415221 0.01378122762073258 0.013781227620918969 0.013781227621352818 0.01378122762150834 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.184921118791648e-20 7.029917858335065e-20 1.183529060943777e-19 1.524475683549008e-19 2.345959581263161e-19 2.826496856374348e-19 3.16744347898071e-19 3.431902225151057e-19 3.64798075408861e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.07515581011405663 0.4377121084687411 0.7377206086635234 0.9505800270509923 1.4634479456380656 1.7634564458296182 1.9763158642213625 2.14142245617697 2.2763243644151663 ] "source-std-uncert-value" [ 0.013851168475832653 0.013851168482310708 0.013851168478271962 0.013851168479973672 0.013851168475016946 0.013851168479434186 0.013851168476999779 0.013851168476032147 0.01385116847784679 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.204128828740824e-20 7.012921126074904e-20 1.181958721620955e-19 1.522997108088188e-19 2.344702103576611e-19 2.825368712584901e-19 3.166407099058984e-19 3.43093702280963e-19 3.64707370807088e-19 ] } }