{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.803967 ] [ 0 0.5 0.196033 ] [ 0.5 0 0.303967 ] [ 0.5 0 0.696033 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.739865 0 ] [ 0.5 0.260135 0 ] [ 0 0.239865 0.5 ] [ 0 0.760135 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ga" "Ga" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.23074561342 "source-unit" "angstrom" } "b" { "source-value" 5.49870356703 "source-unit" "angstrom" } "c" { "source-value" 9.01270513298 "source-unit" "angstrom" } }