{ "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" 3.1433900296688084 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.143390029668809e-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 6 ] } "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" [ -0.26397559109915836 0.21476959765330106 0.49488251157102936 0.693694714987546 1.17333365523277 1.4549141551320428 1.6557357090119627 1.81252550200543 1.9416093236813348 ] "source-std-uncert-value" [ 0.004764059937553878 0.0047943116822830026 0.004844643969738597 0.0049149261633924714 0.0053911471289324496 0.006163013412419196 0.0071989856612540105 0.0084572613517489 0.009887913660833794 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -4.229355240054099e-20 3.440988310537002e-20 7.928891966143378e-20 1.111421463482336e-19 1.879887766299756e-19 2.33102946382841e-19 2.65278106505839e-19 2.90398600784222e-19 3.110801090758777e-19 ] } "core-energy-isotropic" { "source-value" [ -0.0982451615631742 0.38043991932390053 0.6604527412973931 0.8591250002101702 1.337810081097814 1.617822903072072 1.8164951619844565 1.970597338124665 2.0965079839580865 ] "source-std-uncert-value" [ 0.004753967283793732 0.004753967282870844 0.004753967283561322 0.004753967283491135 0.004753967281714799 0.004753967282351592 0.004753967282822801 0.0047539672825087555 0.004753967283182243 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.574061022600726e-20 6.095319493815984e-20 1.05816194996793e-19 1.37647000102198e-19 2.143408052664562e-19 2.59203805325212e-19 2.910346104305541e-19 3.157245010165936e-19 3.358976104892093e-19 ] } "core-energy-anisotropic" { "source-value" [ -0.10542980754551268 0.3741050205671951 0.6546149127837696 0.8536398486685597 1.3331746767781154 1.61368456901672 1.8127095048962438 1.9670852385481608 2.093219397140839 ] "source-std-uncert-value" [ 0.0050400248624022795 0.005040024859470151 0.00504002485267766 0.005040024851978082 0.005040024856969751 0.0050400248586112235 0.0050400248599009635 0.005040024859205948 0.0050400248590157185 ] "source-unit" "eV/A" "si-unit" "kg m^2 / A s^2" "si-value" [ -1.689171741765373e-20 5.993823226148493e-20 1.048808717530103e-19 1.367681819388062e-19 2.135981316174399e-19 2.585407711124949e-19 2.90428081297447e-19 3.151618006288179e-19 3.353707207934618e-19 ] } }