{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I222" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.733716 0.830912 0.899873 ] [ 0.733716 0.169088 0.100127 ] [ 0.266284 0.830912 0.100127 ] [ 0.266284 0.169088 0.899873 ] [ 0.233716 0.330912 0.399873 ] [ 0.233716 0.669088 0.600127 ] [ 0.766284 0.330912 0.600127 ] [ 0.766284 0.669088 0.399873 ] ] } "species" { "source-value" [ "B" "B" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.28669259425 "source-unit" "angstrom" } "b" { "source-value" 6.26021567678 "source-unit" "angstrom" } "c" { "source-value" 10.5868873871 "source-unit" "angstrom" } }