{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0.75 0.5 0 ] [ 0.5 0 0 ] [ 0.75 0.75 0.75 ] [ 0.25 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.5 0.5 0.5 ] [ 0.25 0 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0 0.5 ] [ 0.75 0.25 0.25 ] [ 0.5 0.278296 0.887892 ] [ 0 0.721704 0.887892 ] [ 0 0.278296 0.112108 ] [ 0.5 0.721704 0.112108 ] [ 0 0.778296 0.387892 ] [ 0.5 0.221704 0.387892 ] [ 0.5 0.778296 0.612108 ] [ 0 0.221704 0.612108 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 6.43030885 "source-unit" "angstrom" } "b" { "source-value" 6.4654827 "source-unit" "angstrom" } "c" { "source-value" 10.03697494 "source-unit" "angstrom" } }