{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.89046 0.616509 ] [ 0.25 0.60954 0.116509 ] [ 0.75 0.39046 0.883491 ] [ 0.25 0.10954 0.383491 ] [ 0.25 0.986753 0.874531 ] [ 0.75 0.513247 0.374531 ] [ 0.25 0.486753 0.625469 ] [ 0.75 0.013247 0.125469 ] [ 0.25 0.715364 0.406456 ] [ 0.75 0.784636 0.906456 ] [ 0.25 0.215364 0.093544 ] [ 0.75 0.284636 0.593544 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Rb" "Rb" "Rb" "Rb" "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" 5.04008398 "source-unit" "angstrom" } "b" { "source-value" 7.15408265 "source-unit" "angstrom" } "c" { "source-value" 9.95291335 "source-unit" "angstrom" } }