{ "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" [ [ 0.5 0 0 ] [ 0 0 0.815361 ] [ 0 0 0.184639 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.315361 ] [ 0.5 0.5 0.684639 ] [ 0 0.5 0.065013 ] [ 0 0.5 0.934987 ] [ 0.5 0 0.565013 ] [ 0.5 0 0.434987 ] [ 0.5 0.5 0.133246 ] [ 0.5 0.5 0.866754 ] [ 0 0 0.633246 ] [ 0 0 0.366754 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31321693 "source-unit" "angstrom" } "b" { "source-value" 5.13358708 "source-unit" "angstrom" } "c" { "source-value" 20.08703489 "source-unit" "angstrom" } }