{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.847659 0.5 0.925218 ] [ 0.152341 0.5 0.074782 ] [ 0.347659 0 0.925218 ] [ 0.652341 0 0.074782 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "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" 10.5578623525 "source-unit" "angstrom" } "b" { "source-value" 2.77648802733 "source-unit" "angstrom" } "c" { "source-value" 6.32784187318 "source-unit" "angstrom" } "beta" { "source-value" 148.580745965 "source-unit" "degree" } }