{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.104156 0.5 0.806623 ] [ 0.895844 0.5 0.193377 ] [ 0.604156 0 0.806623 ] [ 0.395844 0 0.193377 ] [ 0.841065 0 0.675388 ] [ 0.158935 0 0.324612 ] [ 0.341065 0.5 0.675388 ] [ 0.658935 0.5 0.324612 ] [ 0 0 0 ] [ 0.248493 0.5 0.261419 ] [ 0.751507 0.5 0.738581 ] [ 0.5 0.5 0 ] [ 0.748493 0 0.261419 ] [ 0.251507 0 0.738581 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.1606061329 "source-unit" "angstrom" } "b" { "source-value" 3.35628237616 "source-unit" "angstrom" } "c" { "source-value" 5.78714556437 "source-unit" "angstrom" } "beta" { "source-value" 114.93144727 "source-unit" "degree" } }