{ "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" [ [ 0.366119 0 0.721065 ] [ 0.633881 0 0.278935 ] [ 0.866119 0.5 0.721065 ] [ 0.133881 0.5 0.278935 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0 ] [ 0.143829 0 0.305984 ] [ 0.25 0.25 0 ] [ 0.856171 0 0.694016 ] [ 0.75 0.25 0 ] [ 0.643829 0.5 0.305984 ] [ 0.75 0.75 0 ] [ 0.356171 0.5 0.694016 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cr" "Cr" "Cl" "Cl" "Cl" "Cl" "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" 7.19843604 "source-unit" "angstrom" } "b" { "source-value" 7.15898287 "source-unit" "angstrom" } "c" { "source-value" 8.79324002 "source-unit" "angstrom" } "beta" { "source-value" 112.70659112 "source-unit" "degree" } }