{ "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" [ [ 0.155771 0 0.746775 ] [ 0.844229 0 0.253225 ] [ 0.011086 0.5 0.236944 ] [ 0.988914 0.5 0.763056 ] [ 0.655771 0.5 0.746775 ] [ 0.344229 0.5 0.253225 ] [ 0.511086 0 0.236944 ] [ 0.488914 0 0.763056 ] [ 0.824227 0 0.774372 ] [ 0.175773 0 0.225628 ] [ 0.324227 0.5 0.774372 ] [ 0.675773 0.5 0.225628 ] [ 0.857093 0.230617 0.918864 ] [ 0.142907 0.230617 0.081136 ] [ 0.142907 0.769383 0.081136 ] [ 0.857093 0.769383 0.918864 ] [ 0.82809 0.5 0.375751 ] [ 0.17191 0.5 0.624249 ] [ 0.907066 0 0.64221 ] [ 0.092934 0 0.35779 ] [ 0.357093 0.730617 0.918864 ] [ 0.642907 0.730617 0.081136 ] [ 0.642907 0.269383 0.081136 ] [ 0.357093 0.269383 0.918864 ] [ 0.32809 0 0.375751 ] [ 0.67191 0 0.624249 ] [ 0.407066 0.5 0.64221 ] [ 0.592934 0.5 0.35779 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "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" 13.1122948462 "source-unit" "angstrom" } "b" { "source-value" 6.45690256 "source-unit" "angstrom" } "c" { "source-value" 8.04008165545 "source-unit" "angstrom" } "beta" { "source-value" 116.084912169 "source-unit" "degree" } }