{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcb" } "basis-atom-coordinates" { "source-value" [ [ 0.722694 0.75 0 ] [ 0.722694 0.25 0.5 ] [ 0.277306 0.75 0.5 ] [ 0.277306 0.25 0 ] [ 0 0.562415 0.75 ] [ 0 0.062415 0.75 ] [ 0 0.937585 0.25 ] [ 0 0.437585 0.25 ] [ 0.5 0.315872 0.75 ] [ 0.5 0.684128 0.25 ] [ 0.5 0.815872 0.75 ] [ 0.5 0.184128 0.25 ] [ 0.795091 0.315172 0.861211 ] [ 0.795091 0.684828 0.361211 ] [ 0.204909 0.315172 0.638789 ] [ 0.795091 0.815172 0.638789 ] [ 0.204909 0.184828 0.361211 ] [ 0.204909 0.684828 0.138789 ] [ 0.795091 0.184828 0.138789 ] [ 0.204909 0.815172 0.861211 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "Cd" "Cd" "Au" "Au" "Au" "Au" "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" 5.91933712 "source-unit" "angstrom" } "b" { "source-value" 6.96971953 "source-unit" "angstrom" } "c" { "source-value" 13.96045199 "source-unit" "angstrom" } }