{ "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" 3.1651999652385707 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.165199965238571e-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" [ 1 1 -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" [ -0.8215342935026744 -0.26674698997175844 0.0580433116112725 0.28876193603386024 0.8472479781114867 1.177241450933319 1.4154321022337486 1.6038510829300767 1.7611886946514317 ] "source-std-uncert-value" [ 0.002562211085125569 0.00245095858326014 0.002266573853271664 0.0020109086230558596 0.0005744799837831305 0.0028375552988693805 0.006891320812669547 0.011671069118302641 0.016895209108608568 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.316243049079683e-19 -4.273757945225837e-20 9.299563762356169e-21 4.626476267020535e-20 1.357440913733967e-19 1.886148745261621e-19 2.267772241212411e-19 2.569652729486165e-19 2.821735374635484e-19 ] } "core-energy-isotropic" { "source-value" [ -0.7886416240464929 -0.23409567982722387 0.09029290246763458 0.32045026439135427 0.8749962086087862 1.1993847909032262 1.4295421528274186 1.6080660721776632 1.7539307351212674 ] "source-std-uncert-value" [ 0.0025993922526618032 0.0025993922519833147 0.0025993922523575557 0.0025993922522651895 0.0025993922522549893 0.002599392251460876 0.002599392251736289 0.002599392252410873 0.0025993922521185984 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.263543182647103e-19 -3.750626283395233e-20 1.446651785496851e-20 5.1341792596695e-20 1.401898480271587e-19 1.921626287160125e-19 2.290379034578147e-19 2.576405886771209e-19 2.810106841465738e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.8208802405730513 -0.2627135277846751 0.0637930683779711 0.2954531850186267 0.8536198978123725 1.1801264939484202 1.4117866105956245 1.5914761570751743 1.7382932067303085 ] "source-std-uncert-value" [ 0.0014801335378533578 0.0014801335300821824 0.001480133556397324 0.0014801335466225135 0.0014801335343523352 0.001480133543681943 0.0014801335567578497 0.0014801335411742328 0.0014801335396561017 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.315195140758442e-19 -4.209134756523162e-20 1.022077635663496e-20 4.733681894777225e-20 1.367649854592451e-19 1.890771093768501e-19 2.261931519690366e-19 2.549825912433958e-19 2.785052758864232e-19 ] } }