{ "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" [ [ 0.626288 0.373712 0.873712 ] [ 0.373712 0.873712 0.626288 ] [ 0.126288 0.126288 0.126288 ] [ 0.873712 0.626288 0.373712 ] [ 0.154162 0.345838 0.654162 ] [ 0.654162 0.154162 0.345838 ] [ 0.345838 0.654162 0.154162 ] [ 0.845838 0.845838 0.845838 ] [ 0.596699 0.903301 0.096699 ] [ 0.096699 0.596699 0.903301 ] [ 0.403301 0.403301 0.403301 ] [ 0.903301 0.096699 0.596699 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "P" "P" "P" "P" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.55092211 "source-unit" "angstrom" } }