{ "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 0.916602 0.75 ] [ 0.5 0.083398 0.25 ] [ 0 0.13474 0.944481 ] [ 0 0.86526 0.055519 ] [ 0 0.86526 0.444481 ] [ 0 0.13474 0.555519 ] [ 0 0.416602 0.75 ] [ 0 0.583398 0.25 ] [ 0.5 0.63474 0.944481 ] [ 0.5 0.36526 0.055519 ] [ 0.5 0.36526 0.444481 ] [ 0.5 0.63474 0.555519 ] [ 0.5 0.224288 0.75 ] [ 0.5 0.775712 0.25 ] [ 0 0.724288 0.75 ] [ 0 0.275712 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Co" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.26787888 "source-unit" "angstrom" } "b" { "source-value" 10.7973771 "source-unit" "angstrom" } "c" { "source-value" 9.0543446 "source-unit" "angstrom" } }