{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.83925 0.75 ] [ 0.5 0.66075 0.25 ] [ 0.5 0.33925 0.75 ] [ 0 0.16075 0.25 ] [ 0.5 0.629569 0.595134 ] [ 0.5 0.629569 0.904866 ] [ 0 0.870431 0.404866 ] [ 0 0.870431 0.095134 ] [ 0 0.129569 0.595134 ] [ 0 0.129569 0.904866 ] [ 0.5 0.370431 0.404866 ] [ 0.5 0.370431 0.095134 ] [ 0 0.584844 0.419389 ] [ 0.5 0.915156 0.580611 ] [ 0.5 0.915156 0.919389 ] [ 0 0.584844 0.080611 ] [ 0.5 0.084844 0.419389 ] [ 0 0.415156 0.580611 ] [ 0 0.415156 0.919389 ] [ 0.5 0.084844 0.080611 ] [ 0 0.559247 0.75 ] [ 0.5 0.940753 0.25 ] [ 0.5 0.059247 0.75 ] [ 0 0.440753 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "In" "In" "In" "In" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.89301163 "source-unit" "angstrom" } "b" { "source-value" 12.2336922 "source-unit" "angstrom" } "c" { "source-value" 14.17781856 "source-unit" "angstrom" } }