{ "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 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.746781 0 ] [ 0.745589 0 0.5 ] [ 0.254411 0 0.5 ] [ 0 0.253219 0 ] [ 0.5 0.246781 0 ] [ 0.245589 0.5 0.5 ] [ 0.754411 0.5 0.5 ] [ 0.5 0.753219 0 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Cd" "Cd" "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" 6.79074082 "source-unit" "angstrom" } "b" { "source-value" 9.63758298 "source-unit" "angstrom" } "c" { "source-value" 3.42272814 "source-unit" "angstrom" } }