{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.850846 ] [ 0.5 0 0.149154 ] [ 0 0.5 0.350846 ] [ 0 0.5 0.649154 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.839443 ] [ 0 0.5 0.160557 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.339443 ] [ 0.5 0 0.660557 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Cu" "Cu" "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" 3.28981064408 "source-unit" "angstrom" } "b" { "source-value" 3.83222685876 "source-unit" "angstrom" } "c" { "source-value" 12.1837707745 "source-unit" "angstrom" } }