{ "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" [ [ 0.308204 0.5 0.430365 ] [ 0.691796 0.5 0.569635 ] [ 0.082928 0.5 0.799364 ] [ 0.917072 0.5 0.200636 ] [ 0.808204 0 0.430365 ] [ 0.191796 0 0.569635 ] [ 0.582928 0 0.799364 ] [ 0.417072 0 0.200636 ] [ 0.114905 0 0.053951 ] [ 0.885095 0 0.946049 ] [ 0.614905 0.5 0.053951 ] [ 0.385095 0.5 0.946049 ] [ 0 0.233839 0 ] [ 0 0.766161 0 ] [ 0.887824 0 0.161975 ] [ 0.112176 0 0.838025 ] [ 0.714031 0 0.648519 ] [ 0.285969 0 0.351481 ] [ 0.5 0.733839 0 ] [ 0.5 0.266161 0 ] [ 0.387824 0.5 0.161975 ] [ 0.612176 0.5 0.838025 ] [ 0.214031 0.5 0.648519 ] [ 0.785969 0.5 0.351481 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Si" "Si" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.0456754321 "source-unit" "angstrom" } "b" { "source-value" 6.96189995076 "source-unit" "angstrom" } "c" { "source-value" 9.8128393377 "source-unit" "angstrom" } "beta" { "source-value" 136.721610914 "source-unit" "degree" } }