{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.341566 ] [ 0 0.25 0.158434 ] [ 0.5 0.25 0.658434 ] [ 0 0.75 0.841566 ] [ 0.768027 0.078517 0.88749 ] [ 0.268027 0.921483 0.61251 ] [ 0.731973 0.578517 0.61251 ] [ 0.231973 0.421483 0.88749 ] [ 0.768027 0.578517 0.11251 ] [ 0.268027 0.421483 0.38749 ] [ 0.731973 0.078517 0.38749 ] [ 0.231973 0.921483 0.11251 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.37457278 "source-unit" "angstrom" } "b" { "source-value" 4.83940126 "source-unit" "angstrom" } "c" { "source-value" 5.40899706 "source-unit" "angstrom" } }