{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0 0.138287 0.5 ] [ 0.5 0.861713 0 ] [ 0.5 0.138287 0 ] [ 0 0.861713 0.5 ] [ 0.5 0.638287 0.5 ] [ 0 0.361713 0 ] [ 0 0.638287 0 ] [ 0.5 0.361713 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.15046 0.5 ] [ 0 0.84954 0 ] [ 0.5 0.84954 0.5 ] [ 0 0.15046 0 ] [ 0.222662 0 0.777847 ] [ 0.277338 0 0.277847 ] [ 0.777338 0 0.222153 ] [ 0.722662 0 0.722153 ] [ 0 0.65046 0.5 ] [ 0.5 0.34954 0 ] [ 0 0.34954 0.5 ] [ 0.5 0.65046 0 ] [ 0.722662 0.5 0.777847 ] [ 0.777338 0.5 0.277847 ] [ 0.277338 0.5 0.222153 ] [ 0.222662 0.5 0.722153 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.27777485286 "source-unit" "angstrom" } "b" { "source-value" 15.7847062028 "source-unit" "angstrom" } "c" { "source-value" 7.27980694 "source-unit" "angstrom" } }