{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.436895 0.178811 ] [ 0.5 0.563105 0.821189 ] [ 0.5 0.936895 0.321189 ] [ 0.5 0.063105 0.678811 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.273406 0.457763 ] [ 0.5 0.726594 0.542237 ] [ 0.5 0.773406 0.042237 ] [ 0.5 0.226594 0.957763 ] [ 0 0.642698 0.306603 ] [ 0 0.357302 0.693397 ] [ 0 0.857302 0.806603 ] [ 0 0.142698 0.193397 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ce" "Ce" "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" 3.63487774 "source-unit" "angstrom" } "b" { "source-value" 6.15604039 "source-unit" "angstrom" } "c" { "source-value" 10.46395421 "source-unit" "angstrom" } }