{ "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 0.5 0.110012 ] [ 0.5 0.5 0.889988 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0.610012 ] [ 0 0 0.389988 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0 0.704465 0 ] [ 0 0 0.852755 ] [ 0 0 0.147245 ] [ 0.704465 0 0 ] [ 0 0.295535 0 ] [ 0.295535 0 0 ] [ 0.5 0.204465 0.5 ] [ 0.5 0.5 0.352755 ] [ 0.5 0.5 0.647245 ] [ 0.204465 0.5 0.5 ] [ 0.5 0.795535 0.5 ] [ 0.795535 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.01401938709 "source-unit" "angstrom" } "c" { "source-value" 16.1484696251 "source-unit" "angstrom" } }