{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.78992 ] [ 0.223883 0.776117 0 ] [ 0.776117 0.223883 0 ] [ 0.776117 0.776117 0 ] [ 0.5 0.5 0.21008 ] [ 0.223883 0.223883 0 ] [ 0 0 0.28992 ] [ 0.723883 0.276117 0.5 ] [ 0.276117 0.723883 0.5 ] [ 0.276117 0.276117 0.5 ] [ 0 0 0.71008 ] [ 0.723883 0.723883 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Au" "Au" "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" 7.45556336633 "source-unit" "angstrom" } "c" { "source-value" 11.4322417095 "source-unit" "angstrom" } }