{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.836156 ] [ 0.5 0.5 0.163844 ] [ 0 0.300691 0 ] [ 0 0.699309 0 ] [ 0 0 0.336156 ] [ 0 0 0.663844 ] [ 0.5 0.800691 0.5 ] [ 0.5 0.199309 0.5 ] [ 0.5 0.5 0.038929 ] [ 0.5 0.5 0.961071 ] [ 0 0 0.538929 ] [ 0 0 0.461071 ] [ 0 0.777704 0.835427 ] [ 0.5 0 0 ] [ 0 0.222296 0.835427 ] [ 0 0.777704 0.164573 ] [ 0 0.222296 0.164573 ] [ 0.5 0.277704 0.335427 ] [ 0 0.5 0.5 ] [ 0.5 0.722296 0.335427 ] [ 0.5 0.277704 0.664573 ] [ 0.5 0.722296 0.664573 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "C" "C" "C" "C" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.92396808236 "source-unit" "angstrom" } "b" { "source-value" 8.21974139517 "source-unit" "angstrom" } "c" { "source-value" 18.15850137 "source-unit" "angstrom" } }