{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Icma" } "basis-atom-coordinates" { "source-value" [ [ 0.731511 0.877279 0 ] [ 0.768489 0.377279 0 ] [ 0.231511 0.622721 0 ] [ 0.268489 0.122721 0 ] [ 0.231511 0.377279 0.5 ] [ 0.268489 0.877279 0.5 ] [ 0.731511 0.122721 0.5 ] [ 0.768489 0.622721 0.5 ] [ 0.5 0.228017 0.25 ] [ 0 0 0.25 ] [ 0.5 0.228017 0.75 ] [ 0.5 0.771983 0.25 ] [ 0 0 0.75 ] [ 0.5 0.771983 0.75 ] [ 0 0.728017 0.75 ] [ 0.5 0.5 0.75 ] [ 0 0.728017 0.25 ] [ 0 0.271983 0.75 ] [ 0.5 0.5 0.25 ] [ 0 0.271983 0.25 ] [ 0.775894 0.131347 0.85764 ] [ 0.775894 0.868653 0.64236 ] [ 0.224106 0.131347 0.35764 ] [ 0.224106 0.868653 0.85764 ] [ 0.224106 0.868653 0.14236 ] [ 0.775894 0.868653 0.35764 ] [ 0.224106 0.131347 0.64236 ] [ 0.775894 0.131347 0.14236 ] [ 0.275894 0.631347 0.35764 ] [ 0.275894 0.368653 0.14236 ] [ 0.724106 0.631347 0.85764 ] [ 0.724106 0.368653 0.35764 ] [ 0.724106 0.368653 0.64236 ] [ 0.275894 0.368653 0.85764 ] [ 0.724106 0.631347 0.14236 ] [ 0.275894 0.631347 0.64236 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.88900857701 "source-unit" "angstrom" } "b" { "source-value" 13.4341054462 "source-unit" "angstrom" } "c" { "source-value" 15.7853742505 "source-unit" "angstrom" } }