{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibam" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.5 0.25 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.175607 0.798295 0.372382 ] [ 0.675607 0.701705 0.372382 ] [ 0.824393 0.798295 0.127618 ] [ 0.175607 0.201705 0.127618 ] [ 0.675607 0.298295 0.127618 ] [ 0.824393 0.201705 0.372382 ] [ 0.324393 0.298295 0.372382 ] [ 0.324393 0.701705 0.127618 ] [ 0.675607 0.298295 0.872382 ] [ 0.175607 0.201705 0.872382 ] [ 0.324393 0.298295 0.627618 ] [ 0.675607 0.701705 0.627618 ] [ 0.175607 0.798295 0.627618 ] [ 0.324393 0.701705 0.872382 ] [ 0.824393 0.798295 0.872382 ] [ 0.824393 0.201705 0.627618 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cr" "Cr" "Cr" "Cr" "F" "F" "F" "F" "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" 5.54043333389 "source-unit" "angstrom" } "b" { "source-value" 5.87044909223 "source-unit" "angstrom" } "c" { "source-value" 11.3455755123 "source-unit" "angstrom" } }