{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.876181 0 0.75 ] [ 0.123819 0 0.25 ] [ 0.376181 0.5 0.75 ] [ 0.623819 0.5 0.25 ] [ 0.37614 0 0.857824 ] [ 0.62386 0 0.357824 ] [ 0.62386 0 0.142176 ] [ 0.37614 0 0.642176 ] [ 0.87614 0.5 0.857824 ] [ 0.12386 0.5 0.357824 ] [ 0.12386 0.5 0.142176 ] [ 0.87614 0.5 0.642176 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "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" 2.74228089105 "source-unit" "angstrom" } "b" { "source-value" 13.342602515 "source-unit" "angstrom" } "c" { "source-value" 10.9695878002 "source-unit" "angstrom" } }