{ "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 0.5 0 ] [ 0 0 0.1885 ] [ 0 0 0.8115 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.6885 ] [ 0.5 0.5 0.3115 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.334199 0.876084 ] [ 0.5 0.665801 0.123916 ] [ 0.5 0.334199 0.123916 ] [ 0.5 0.665801 0.876084 ] [ 0 0.834199 0.376084 ] [ 0 0.165801 0.623916 ] [ 0 0.834199 0.623916 ] [ 0 0.165801 0.376084 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.39362487165 "source-unit" "angstrom" } "b" { "source-value" 4.35622932942 "source-unit" "angstrom" } "c" { "source-value" 12.1135729167 "source-unit" "angstrom" } }