{ "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 0.5 0.182212 ] [ 0 0.5 0.817788 ] [ 0.5 0 0.682212 ] [ 0.5 0 0.317788 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0 0.811039 ] [ 0.5 0 0.188961 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.311039 ] [ 0 0.5 0.688961 ] ] } "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" 3.31249826757 "source-unit" "angstrom" } "b" { "source-value" 3.3890515899 "source-unit" "angstrom" } "c" { "source-value" 18.0918676351 "source-unit" "angstrom" } }