{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.921511 0.75 ] [ 0.5 0.078489 0.25 ] [ 0 0.794109 0.75 ] [ 0 0.205891 0.25 ] [ 0 0.421511 0.75 ] [ 0 0.578489 0.25 ] [ 0.5 0.294109 0.75 ] [ 0.5 0.705891 0.25 ] [ 0.814602 0.888882 0.25 ] [ 0.185398 0.111118 0.75 ] [ 0.814602 0.111118 0.75 ] [ 0.185398 0.888882 0.25 ] [ 0.314602 0.388882 0.25 ] [ 0.685398 0.611118 0.75 ] [ 0.314602 0.611118 0.75 ] [ 0.685398 0.388882 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "As" "As" "As" "As" "As" "As" "As" "As" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.57766358 "source-unit" "angstrom" } "b" { "source-value" 14.62294782 "source-unit" "angstrom" } "c" { "source-value" 6.09401341 "source-unit" "angstrom" } }