{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.345127 0 0.278761 ] [ 0.654873 0 0.721239 ] [ 0.845127 0.5 0.278761 ] [ 0.154873 0.5 0.721239 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.889909 0.236128 0.783867 ] [ 0.110091 0.236128 0.216133 ] [ 0.110091 0.763872 0.216133 ] [ 0.889909 0.763872 0.783867 ] [ 0.389909 0.736128 0.783867 ] [ 0.610091 0.736128 0.216133 ] [ 0.610091 0.263872 0.216133 ] [ 0.389909 0.263872 0.783867 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pd" "Pd" "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" 9.94922030242 "source-unit" "angstrom" } "b" { "source-value" 6.06582772006 "source-unit" "angstrom" } "c" { "source-value" 4.30699556891 "source-unit" "angstrom" } "beta" { "source-value" 92.7561555433 "source-unit" "degree" } }