{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.16784 0.75 ] [ 0 0.83216 0.25 ] [ 0.5 0.66784 0.75 ] [ 0.5 0.33216 0.25 ] [ 0 0.073781 0.25 ] [ 0.5 0.073915 0.75 ] [ 0.5 0.204293 0.25 ] [ 0 0.926219 0.75 ] [ 0.5 0.926085 0.25 ] [ 0.5 0.795707 0.75 ] [ 0.5 0.573781 0.25 ] [ 0 0.573915 0.75 ] [ 0 0.704293 0.25 ] [ 0.5 0.426219 0.75 ] [ 0 0.426085 0.25 ] [ 0 0.295707 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "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" 4.41772334517 "source-unit" "angstrom" } "b" { "source-value" 25.8922295677 "source-unit" "angstrom" } "c" { "source-value" 4.4218268 "source-unit" "angstrom" } }