{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.233156 0.500276 0.720765 ] [ 0.766844 0.000276 0.779235 ] [ 0.766844 0.499724 0.279235 ] [ 0.233156 0.999724 0.220765 ] [ 0.324607 0.086385 0.659192 ] [ 0.675393 0.586385 0.840808 ] [ 0.675393 0.913615 0.340808 ] [ 0.324607 0.413615 0.159192 ] [ 0.185693 0.597344 0.299432 ] [ 0.814307 0.097344 0.200568 ] [ 0.814307 0.402656 0.700568 ] [ 0.185693 0.902656 0.799432 ] ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.87907467819 "source-unit" "angstrom" } "b" { "source-value" 4.93321338 "source-unit" "angstrom" } "c" { "source-value" 4.91748252288 "source-unit" "angstrom" } "beta" { "source-value" 107.938226935 "source-unit" "degree" } }