{ "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" 3.1638794839382167 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.163879483938217e-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 4 ] } "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" [ -0.6012278347175102 -0.12341607226273503 0.15618069825604733 0.35465815559600067 0.8333994553663853 1.114395796574852 1.3146545356865527 1.4712225666905572 1.6001139822174948 ] "source-std-uncert-value" [ 0.0014098412902088155 0.0014351859413832466 0.001479945598206001 0.0015473339923969878 0.0021247022833276734 0.002299991652386636 0.0032937326605083452 0.004289973121560877 0.005424863576553138 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -9.632731884948088e-20 -1.977343472394096e-20 2.502290654276436e-20 5.682250099534486e-20 1.335253134176348e-19 1.785458906300045e-19 2.106308778859114e-19 2.357158419765117e-19 2.563665234045561e-19 ] } "core-energy-isotropic" { "source-value" [ -0.39764016177334427 0.08008370075343178 0.3595342460301754 0.5578075632798815 1.035531425804738 1.3149819710832118 1.5132552883311419 1.667048021277574 1.7927058336092172 ] "source-std-uncert-value" [ 0.0014016619378980435 0.0014016619363163066 0.0014016619368818377 0.0014016619365651167 0.0014016619377790588 0.001401661937359859 0.001401661937063597 0.0014016619368279206 0.001401661937381215 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.370897759332322e-20 1.283082341113966e-20 5.760373681123543e-20 8.937062441555024e-20 1.659104254197056e-19 2.106833388200785e-19 2.424502264241088e-19 2.670905387446864e-19 2.872231398244179e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.38987808651750533 0.08683931236084041 0.3657011141456483 0.5635567112383906 1.04027411011613 1.3191359119007726 1.516991508993903 1.6704602330142617 1.7958533107782657 ] "source-std-uncert-value" [ 0.0012606279736260147 0.00126062797289788 0.0012606279727593584 0.0012606279729253966 0.0012606279738422998 0.0012606279728631837 0.0012606279731594162 0.0012606279732385564 0.0012606279732181127 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -6.246535603269775e-20 1.391319171771659e-20 5.859177801119245e-20 9.029173946800345e-20 1.666702872183206e-19 2.1134887351177e-19 2.430488349686432e-19 2.676372353361645e-19 2.877274212620477e-19 ] } }