{ "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 0 ] [ 0.5 0.5 0 ] [ 0.848349 0.5 0.766654 ] [ 0.151651 0.5 0.233346 ] [ 0.348349 0 0.766654 ] [ 0.651651 0 0.233346 ] ] } "species" { "source-value" [ "Cr" "Cr" "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" 7.47975548276 "source-unit" "angstrom" } "b" { "source-value" 3.65012855 "source-unit" "angstrom" } "c" { "source-value" 6.53056838729 "source-unit" "angstrom" } "beta" { "source-value" 98.5355505299 "source-unit" "degree" } }