{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.061417 0.678509 ] [ 0.5 0.438583 0.178509 ] [ 0.5 0.561417 0.821491 ] [ 0.5 0.938583 0.321491 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.152502 0.201653 ] [ 0.5 0.24032 0.95927 ] [ 0.5 0.25968 0.45927 ] [ 0 0.347498 0.701653 ] [ 0 0.652502 0.298347 ] [ 0.5 0.74032 0.54073 ] [ 0.5 0.75968 0.04073 ] [ 0 0.847498 0.798347 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "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" 3.53302438 "source-unit" "angstrom" } "b" { "source-value" 5.84851022 "source-unit" "angstrom" } "c" { "source-value" 10.02701566 "source-unit" "angstrom" } }