{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.873575 0.626425 0.373575 ] [ 0.373575 0.873575 0.626425 ] [ 0.126425 0.126425 0.126425 ] [ 0.626425 0.373575 0.873575 ] [ 0.746666 0.246666 0.253334 ] [ 0.246666 0.253334 0.746666 ] [ 0.253334 0.746666 0.246666 ] [ 0.753334 0.753334 0.753334 ] [ 0.367713 0.367713 0.367713 ] [ 0.132287 0.632287 0.867713 ] [ 0.867713 0.132287 0.632287 ] [ 0.632287 0.867713 0.132287 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Pd" "Pd" "Pd" "Pd" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.42521397 "source-unit" "angstrom" } }