{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.326554 0 ] [ 0 0 0.65939 ] [ 0 0 0.34061 ] [ 0.5 0 0.176638 ] [ 0.5 0 0.823362 ] [ 0 0.673446 0 ] [ 0.5 0.826554 0.5 ] [ 0.5 0.5 0.15939 ] [ 0.5 0.5 0.84061 ] [ 0 0.5 0.676638 ] [ 0 0.5 0.323362 ] [ 0.5 0.173446 0.5 ] [ 0.5 0.756276 0 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.5 0.243724 0 ] [ 0 0.256276 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0 0.743724 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99335499162 "source-unit" "angstrom" } "b" { "source-value" 8.43163724051 "source-unit" "angstrom" } "c" { "source-value" 8.59825180144 "source-unit" "angstrom" } }