{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.552231 0.544236 ] [ 0 0.447769 0.044236 ] [ 0.5 0.052231 0.544236 ] [ 0.5 0.947769 0.044236 ] [ 0 0.746914 0.617764 ] [ 0 0.253086 0.117764 ] [ 0.5 0.246914 0.617764 ] [ 0.5 0.753086 0.117764 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.33754024 "source-unit" "angstrom" } "b" { "source-value" 4.46398472 "source-unit" "angstrom" } "c" { "source-value" 5.18095999 "source-unit" "angstrom" } }