{ "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" [ 1 1 3 ] } "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" [ -0.37552377015313554 0.0701672816281923 0.33091476025981414 0.5159551084212839 0.9621265305791044 1.2236615172979899 1.4097773228425636 1.5546814345090558 1.673590396253869 ] "source-std-uncert-value" [ 0.001156517482935427 0.0011682532512001125 0.001187777797519943 0.0012150382518961449 0.0013996196062669843 0.0016980519609496043 0.0020965647326911478 0.002576552671852056 0.0031155537579084128 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.016554100509404e-20 1.124203790959872e-20 5.30183896733986e-20 8.266512189055176e-20 1.541496646245327e-19 1.960521890939826e-19 2.25871228580143e-19 2.49087426768401e-19 2.68138742776475e-19 ] } "core-energy-isotropic" { "source-value" [ -0.1529374750432213 0.2927212401367284 0.5534148766381148 0.738379955317957 1.1840386704976873 1.4447323069986355 1.6296973856786694 1.7731674468258822 1.8903910221784843 ] "source-std-uncert-value" [ 0.0011526020607696415 0.0011526020599091252 0.0011526020613286687 0.00115260206191298 0.0011526020597683543 0.0011526020610357019 0.0011526020611696878 0.0011526020608144364 0.0011526020608712308 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.450328489772073e-20 4.689911312225692e-20 8.866683842575801e-20 1.183015111424395e-19 1.89703909162382e-19 2.314716344658129e-19 2.61106307182525e-19 2.840927451473866e-19 3.028740324857743e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.1538408509233845 0.29193333354350937 0.5526945152381033 0.7377075179970599 1.1834817024853228 1.4442428841924908 1.6292558869459262 1.7727631209150227 1.890017068663499 ] "source-std-uncert-value" [ 0.0011797355140010545 0.0011797355143022773 0.001179735530537789 0.0011797355252387571 0.0011797355206569343 0.0011797355200055299 0.0011797355247966054 0.0011797355185249585 0.001179735517294808 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -2.46480216704124e-20 4.677287656891391e-20 8.85514238054446e-20 1.181937748061024e-19 1.896146730488524e-19 2.313932202873977e-19 2.610355712871708e-19 2.840279649946966e-19 3.028141185273832e-19 ] } }