{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.673607 0.75 ] [ 0 0.326393 0.25 ] [ 0.5 0.173607 0.75 ] [ 0.5 0.826393 0.25 ] [ 0.865605 0 0 ] [ 0.134395 0 0.5 ] [ 0.134395 0 0 ] [ 0.865605 0 0.5 ] [ 0.365605 0.5 0 ] [ 0.634395 0.5 0.5 ] [ 0.634395 0.5 0 ] [ 0.365605 0.5 0.5 ] [ 0 0.101268 0.75 ] [ 0 0.898732 0.25 ] [ 0.739796 0.900909 0.75 ] [ 0.260204 0.099091 0.25 ] [ 0.739796 0.099091 0.25 ] [ 0.260204 0.900909 0.75 ] [ 0.5 0.601268 0.75 ] [ 0.5 0.398732 0.25 ] [ 0.239796 0.400909 0.75 ] [ 0.760204 0.599091 0.25 ] [ 0.239796 0.599091 0.25 ] [ 0.760204 0.400909 0.75 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "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" 9.4712603057 "source-unit" "angstrom" } "b" { "source-value" 11.9637974323 "source-unit" "angstrom" } "c" { "source-value" 5.17950005 "source-unit" "angstrom" } }