{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.855156 0.25 ] [ 0.5 0.144844 0.75 ] [ 0 0.355156 0.25 ] [ 0 0.644844 0.75 ] [ 0 0.078846 0.25 ] [ 0 0.921154 0.75 ] [ 0.5 0.578846 0.25 ] [ 0.5 0.421154 0.75 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.78647247824 "source-unit" "angstrom" } "b" { "source-value" 9.95669271256 "source-unit" "angstrom" } "c" { "source-value" 3.77612694 "source-unit" "angstrom" } }