{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cccm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.99883 0.759357 0.5 ] [ 0.00117 0.240643 0.5 ] [ 0.99883 0.240643 0 ] [ 0.00117 0.759357 0 ] [ 0.49883 0.259357 0.5 ] [ 0.50117 0.740643 0.5 ] [ 0.49883 0.740643 0 ] [ 0.50117 0.259357 0 ] [ 0.25 0.75 0.166168 ] [ 0.25 0.75 0.833832 ] [ 0.25 0.25 0.666168 ] [ 0.265533 0.084529 0 ] [ 0.734467 0.915471 0 ] [ 0.265533 0.915471 0.5 ] [ 0.734467 0.084529 0.5 ] [ 0.25 0.25 0.333832 ] [ 0.75 0.25 0.166168 ] [ 0.75 0.25 0.833832 ] [ 0.75 0.75 0.666168 ] [ 0.765533 0.584529 0 ] [ 0.234467 0.415471 0 ] [ 0.765533 0.415471 0.5 ] [ 0.234467 0.584529 0.5 ] [ 0.75 0.75 0.333832 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.26102884 "source-unit" "angstrom" } "b" { "source-value" 11.11521003 "source-unit" "angstrom" } "c" { "source-value" 11.14119058 "source-unit" "angstrom" } }