{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.150056 0 ] [ 0.5 0.849944 0 ] [ 0 0.650056 0 ] [ 0 0.349944 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.821984 0.5 ] [ 0 0.178016 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.321984 0.5 ] [ 0.5 0.678016 0.5 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.01626451639 "source-unit" "angstrom" } "b" { "source-value" 13.0165438909 "source-unit" "angstrom" } "c" { "source-value" 4.15715518 "source-unit" "angstrom" } }