{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.872089 ] [ 0.5 0 0.127911 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.372089 ] [ 0 0.5 0.627911 ] [ 0.5 0.5 0 ] [ 0 0.207484 0.223243 ] [ 0.207484 0 0.776757 ] [ 0.792516 0 0.776757 ] [ 0 0.792516 0.223243 ] [ 0.5 0.806068 0.891228 ] [ 0.806068 0.5 0.108772 ] [ 0.193932 0.5 0.108772 ] [ 0.5 0.193932 0.891228 ] [ 0 0 0.5 ] [ 0.5 0.707484 0.723243 ] [ 0.707484 0.5 0.276757 ] [ 0.292516 0.5 0.276757 ] [ 0.5 0.292516 0.723243 ] [ 0 0.306068 0.391228 ] [ 0.306068 0 0.608772 ] [ 0.693932 0 0.608772 ] [ 0 0.693932 0.391228 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.42554679568 "source-unit" "angstrom" } "c" { "source-value" 15.2008205238 "source-unit" "angstrom" } }