{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.149233 0.318941 ] [ 0 0.850767 0.681059 ] [ 0 0.850767 0.318941 ] [ 0 0.149233 0.681059 ] [ 0.75 0.75 0.842957 ] [ 0.75 0.75 0.157043 ] [ 0.25 0.75 0.157043 ] [ 0.25 0.75 0.842957 ] [ 0.5 0.649233 0.318941 ] [ 0.5 0.350767 0.681059 ] [ 0.5 0.350767 0.318941 ] [ 0.5 0.649233 0.681059 ] [ 0.25 0.25 0.842957 ] [ 0.25 0.25 0.157043 ] [ 0.75 0.25 0.157043 ] [ 0.75 0.25 0.842957 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.87561919163 "source-unit" "angstrom" } "b" { "source-value" 5.58381921246 "source-unit" "angstrom" } "c" { "source-value" 4.27273638 "source-unit" "angstrom" } }