{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.278503 ] [ 0 0 0.721497 ] [ 0.5 0.5 0.721497 ] [ 0 0 0.278503 ] [ 0.21517 0.71517 0 ] [ 0.28483 0.21517 0 ] [ 0.71517 0.78483 0 ] [ 0.78483 0.28483 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.21493226 "source-unit" "angstrom" } "c" { "source-value" 6.4095065 "source-unit" "angstrom" } }