{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pccb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.8565 ] [ 0.5 0.25 0.3565 ] [ 0.5 0.75 0.6435 ] [ 0.5 0.75 0.1435 ] [ 0 0.75 0.390251 ] [ 0 0.25 0.609749 ] [ 0 0.75 0.890251 ] [ 0 0.25 0.109749 ] [ 0.232443 0.595494 0.553781 ] [ 0.767557 0.404506 0.446219 ] [ 0.767557 0.095494 0.946219 ] [ 0.232443 0.904506 0.053781 ] [ 0.232443 0.404506 0.946219 ] [ 0.645661 0.5 0.75 ] [ 0.645661 0 0.25 ] [ 0.232443 0.095494 0.446219 ] [ 0.767557 0.904506 0.553781 ] [ 0.354339 0 0.75 ] [ 0.767557 0.595494 0.053781 ] [ 0.354339 0.5 0.25 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 5.19457633 "source-unit" "angstrom" } "b" { "source-value" 5.49398134 "source-unit" "angstrom" } "c" { "source-value" 10.11700295 "source-unit" "angstrom" } }