{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0 0.787232 0.25 ] [ 0 0.212768 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.5 0.287232 0.75 ] [ 0.5 0.712768 0.25 ] [ 0 0.931691 0.75 ] [ 0 0.068309 0.25 ] [ 0.5 0.431691 0.25 ] [ 0.5 0.568309 0.75 ] [ 0.75 0.75 0.062416 ] [ 0.25 0.75 0.062416 ] [ 0 0.465855 0.25 ] [ 0.5 0.034145 0.25 ] [ 0.75 0.75 0.437584 ] [ 0.25 0.75 0.437584 ] [ 0.25 0.25 0.562416 ] [ 0.75 0.25 0.562416 ] [ 0.5 0.965855 0.75 ] [ 0 0.534145 0.75 ] [ 0.25 0.25 0.937584 ] [ 0.75 0.25 0.937584 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.2871016 "source-unit" "angstrom" } "b" { "source-value" 6.65242623 "source-unit" "angstrom" } "c" { "source-value" 6.99283496 "source-unit" "angstrom" } }