{ "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" [ [ 0.81735 0.5 0.728045 ] [ 0.18265 0.5 0.271955 ] [ 0.31735 0 0.728045 ] [ 0.68265 0 0.271955 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.884623 0 0.554104 ] [ 0.115377 0 0.445896 ] [ 0.384623 0.5 0.554104 ] [ 0.615377 0.5 0.445896 ] [ 0.129978 0.5 0.852455 ] [ 0.870022 0.5 0.147545 ] [ 0.629978 0 0.852455 ] [ 0.370022 0 0.147545 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "C" "C" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.71645568294 "source-unit" "angstrom" } "b" { "source-value" 4.30281028 "source-unit" "angstrom" } "c" { "source-value" 7.34312255605 "source-unit" "angstrom" } "beta" { "source-value" 97.8151889859 "source-unit" "degree" } }