{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.867472 ] [ 0 0.5 0.132528 ] [ 0.5 0 0.373816 ] [ 0 0.5 0.626184 ] [ 0 0 0 ] [ 0.5 0.5 0.239469 ] [ 0 0 0.255531 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.744469 ] [ 0.5 0.5 0.760531 ] ] } "species" { "source-value" [ "Ce" "Ce" "Th" "Th" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.95086439 "source-unit" "angstrom" } "c" { "source-value" 11.195017 "source-unit" "angstrom" } }