{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.169876 0.261993 0.380589 ] [ 0.799114 0.755594 0.902532 ] [ 0.169876 0.738007 0.380589 ] [ 0.799114 0.244406 0.902532 ] [ 0.669876 0.761993 0.380589 ] [ 0.299114 0.255594 0.902532 ] [ 0.669876 0.238007 0.380589 ] [ 0.299114 0.744406 0.902532 ] [ 0.019754 0 0.580807 ] [ 0.519754 0.5 0.580807 ] [ 0.975601 0.855825 0.667979 ] [ 0.975601 0.144175 0.667979 ] [ 0.92812 0 0.352701 ] [ 0.203183 0 0.625871 ] [ 0.475601 0.355825 0.667979 ] [ 0.475601 0.644175 0.667979 ] [ 0.42812 0.5 0.352701 ] [ 0.703183 0.5 0.625871 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "O" "O" "O" "O" "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" 8.29449509745 "source-unit" "angstrom" } "b" { "source-value" 8.12346637587 "source-unit" "angstrom" } "c" { "source-value" 6.84558662597 "source-unit" "angstrom" } "beta" { "source-value" 111.065888263 "source-unit" "degree" } }