{ "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 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.335467 0.5 0.244298 ] [ 0.164533 0 0.755702 ] [ 0.835467 0 0.244298 ] [ 0.664533 0.5 0.755702 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "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" 5.36472379 "source-unit" "angstrom" } "b" { "source-value" 3.04885928 "source-unit" "angstrom" } "c" { "source-value" 5.27465584 "source-unit" "angstrom" } "beta" { "source-value" 92.54603767 "source-unit" "degree" } }