{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.110637 0.004544 0.413843 ] [ 0.110637 0.495456 0.913843 ] [ 0.889363 0.504544 0.086157 ] [ 0.889363 0.995456 0.586157 ] [ 0.254849 0.486624 0.248524 ] [ 0.396848 0.985864 0.084385 ] [ 0.254849 0.013376 0.748524 ] [ 0.396848 0.514136 0.584385 ] [ 0.603152 0.485864 0.415615 ] [ 0.745151 0.986624 0.251476 ] [ 0.603152 0.014136 0.915615 ] [ 0.745151 0.513376 0.751476 ] [ 0.989598 0.74981 0.198768 ] [ 0.185801 0.257002 0.139475 ] [ 0.125015 0.751039 0.025937 ] [ 0.989598 0.75019 0.698768 ] [ 0.185801 0.242998 0.639475 ] [ 0.125015 0.748961 0.525937 ] [ 0.385984 0.2592 0.479134 ] [ 0.326179 0.715466 0.357483 ] [ 0.51727 0.237041 0.30866 ] [ 0.48273 0.737041 0.19134 ] [ 0.385984 0.2408 0.979134 ] [ 0.673821 0.215466 0.142517 ] [ 0.326179 0.784534 0.857483 ] [ 0.614016 0.7592 0.020866 ] [ 0.51727 0.262959 0.80866 ] [ 0.48273 0.762959 0.69134 ] [ 0.673821 0.284534 0.642517 ] [ 0.614016 0.7408 0.520866 ] [ 0.874985 0.251039 0.474063 ] [ 0.814199 0.757002 0.360525 ] [ 0.010402 0.24981 0.301232 ] [ 0.874985 0.248961 0.974063 ] [ 0.814199 0.742998 0.860525 ] [ 0.010402 0.25019 0.801232 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.97765546 "source-unit" "angstrom" } "b" { "source-value" 7.34006045 "source-unit" "angstrom" } "c" { "source-value" 24.36211478 "source-unit" "angstrom" } "beta" { "source-value" 99.0342278 "source-unit" "degree" } }