{ "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" [ [ 0.156132 0 0.747498 ] [ 0.843868 0 0.252502 ] [ 0.013051 0.5 0.238661 ] [ 0.986949 0.5 0.761339 ] [ 0.656132 0.5 0.747498 ] [ 0.343868 0.5 0.252502 ] [ 0.513051 0 0.238661 ] [ 0.486949 0 0.761339 ] [ 0.82415 0 0.77525 ] [ 0.17585 0 0.22475 ] [ 0.32415 0.5 0.77525 ] [ 0.67585 0.5 0.22475 ] [ 0.856922 0.230277 0.918555 ] [ 0.143078 0.230277 0.081445 ] [ 0.143078 0.769723 0.081445 ] [ 0.856922 0.769723 0.918555 ] [ 0.82685 0.5 0.37274 ] [ 0.17315 0.5 0.62726 ] [ 0.906379 0 0.643446 ] [ 0.093621 0 0.356554 ] [ 0.356922 0.730277 0.918555 ] [ 0.643078 0.730277 0.081445 ] [ 0.643078 0.269723 0.081445 ] [ 0.356922 0.269723 0.918555 ] [ 0.32685 0 0.37274 ] [ 0.67315 0 0.62726 ] [ 0.406379 0.5 0.643446 ] [ 0.593621 0.5 0.356554 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "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" 13.0600852516 "source-unit" "angstrom" } "b" { "source-value" 6.3970857 "source-unit" "angstrom" } "c" { "source-value" 8.01030922536 "source-unit" "angstrom" } "beta" { "source-value" 115.834750125 "source-unit" "degree" } }