{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.814439 0.685561 0 ] [ 0.185561 0.314439 0 ] [ 0.314439 0.814439 0 ] [ 0.685561 0.185561 0 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.314439 0.185561 0.5 ] [ 0.685561 0.814439 0.5 ] [ 0.814439 0.314439 0.5 ] [ 0.185561 0.685561 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.37088 0.12912 0.841892 ] [ 0.62912 0.87088 0.841892 ] [ 0.87088 0.37088 0.841892 ] [ 0.12912 0.62912 0.841892 ] [ 0.62912 0.87088 0.158108 ] [ 0.37088 0.12912 0.158108 ] [ 0.12912 0.62912 0.158108 ] [ 0.87088 0.37088 0.158108 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.87088 0.62912 0.341892 ] [ 0.12912 0.37088 0.341892 ] [ 0.37088 0.87088 0.341892 ] [ 0.62912 0.12912 0.341892 ] [ 0.12912 0.37088 0.658108 ] [ 0.87088 0.62912 0.658108 ] [ 0.62912 0.12912 0.658108 ] [ 0.37088 0.87088 0.658108 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mg" "Mg" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.02472874 "source-unit" "angstrom" } "c" { "source-value" 12.3238458 "source-unit" "angstrom" } }