{ "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 0.249411 ] [ 0 0.5 0.41665 ] [ 0.5 0 0.58335 ] [ 0 0.5 0.750589 ] [ 0.5 0 0.906808 ] [ 0 0.5 0.093192 ] [ 0 0 0 ] [ 0.5 0.5 0.153901 ] [ 0 0 0.17449 ] [ 0 0 0.336912 ] [ 0.5 0.5 0.329084 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0.670916 ] [ 0 0 0.663088 ] [ 0.5 0.5 0.846099 ] [ 0 0 0.82551 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Y" "Y" "O" "O" "O" "O" "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" 3.85853787 "source-unit" "angstrom" } "c" { "source-value" 16.35144588 "source-unit" "angstrom" } }